Reverse docking explorer

Compound / target search

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40 compounds in matrix 239 best compound-target hits listed 22 targets

• Combined reverse-docking score = 65% normalized docking-score estimator + 35% interaction-fingerprint component.

• When a native ligand exists for an experiment, the interaction-fingerprint component is driven by similarity to the native contact/H-bond pattern.

• When no native ligand exists, the interaction-fingerprint component falls back to contact richness within the experiment (normalized contacts and H-bonds).

Compounds × targets matrix

Each cell shows the best combined reverse-docking score found for that compound on that target. Blank cells mean no imported pose passed the current filters.

Compound	Best	Mean	Targets	T01	T02	T03	T04	T05	T06	T07	T08	T09	T10	T11	T12	T13	T14	T15	T16	T17	T18	T19	T20	T21	T22
MK24	0.972	0.882	5														0.82		0.80				0.97	0.93	0.89
MK219	0.962	0.860	8						0.81			0.86			0.91	0.87		0.74			0.79		0.96	0.93
MK220	0.962	0.859	10	0.83		0.85						0.83	0.92				0.80	0.77	0.80				0.96	0.92	0.91
MK212	0.962	0.854	9			0.75					0.86	0.82	0.88		0.93		0.78			0.78			0.96	0.91
MK27	0.957	0.852	3										0.96						0.75	0.85
MK219	0.951	0.858	10	0.83	0.83	0.89				0.87	0.86		0.95	0.86			0.79		0.82						0.87
MK210	0.946	0.859	8	0.84	0.86							0.83	0.95		0.93					0.72			0.83	0.90
MK218	0.941	0.860	8		0.81	0.76				0.83		0.84	0.94		0.90	0.88									0.93
MK214	0.940	0.840	9	0.94		0.85			0.80			0.79	0.91			0.84	0.77					0.76		0.90
MK213	0.940	0.841	14	0.92	0.77	0.74		0.80	0.80		0.83	0.79	0.94	0.86	0.92	0.89	0.80				0.80			0.92
MK213	0.935	0.836	12		0.83					0.85	0.86	0.77		0.82	0.93	0.87	0.84	0.77		0.78	0.79			0.90
MK218	0.934	0.812	8					0.84	0.82					0.89			0.78			0.74	0.77	0.72		0.93
MK217	0.932	0.834	8		0.80				0.81	0.83	0.90	0.77		0.86			0.76							0.93
MK26	0.932	0.924	2										0.92		0.93
MK221	0.932	0.869	9	0.86						0.86			0.93	0.80		0.87	0.87			0.87			0.83	0.91
MK212	0.931	0.856	5	0.86	0.86					0.83											0.79				0.93
MK21	0.928	0.841	9	0.88		0.80								0.82	0.93	0.90		0.81	0.76		0.78		0.90
MK20	0.928	0.814	3												0.93				0.74		0.77
MK221	0.925	0.875	3			0.88			0.82						0.93
MK215	0.924	0.842	10		0.89	0.77		0.83					0.87		0.92	0.84	0.78					0.76	0.84	0.91
MK211	0.922	0.850	12	0.83	0.83	0.83			0.81	0.83		0.85	0.92	0.88		0.83				0.87	0.82		0.90
MK211	0.922	0.922	1												0.92
MK217	0.922	0.844	8	0.92		0.85									0.92	0.85		0.76	0.73	0.92	0.80
MK220	0.911	0.843	5					0.86	0.82	0.83					0.91						0.80
MK29	0.911	0.849	9			0.89				0.83	0.83		0.88		0.91	0.87	0.80	0.77					0.87
MK25	0.904	0.871	2														0.84						0.90
MK27	0.903	0.903	1		0.90
MK214	0.901	0.838	8		0.84					0.86	0.83			0.87	0.90			0.77		0.87	0.76
MK2	0.899	0.838	8		0.82					0.83		0.82		0.87	0.87		0.80					0.79		0.90
MK26	0.897	0.811	5	0.85										0.90			0.77	0.78		0.76
MK215	0.893	0.849	4	0.89										0.88				0.80							0.83
MK21	0.874	0.828	2									0.78								0.87
MK21	0.848	0.833	2		0.85												0.82
MK210	0.848	0.810	5			0.78			0.80	0.84				0.85			0.78
MK2	0.843	0.798	4			0.76							0.84						0.81	0.78
MK24	0.829	0.803	2																	0.78	0.83
MK205	0.823	0.809	4		0.82		0.82					0.80											0.79
MK204	0.816	0.807	2				0.82													0.80
MK28	0.815	0.815	1																	0.82
MK23	0.804	0.804	1														0.80

Best compound-target hits

The score column is the combined reverse-docking score. The next two columns expose its components: normalized score-estimator and interaction fingerprint.

Compound	Target	Experiment	Combined	Score part	IFP part	IFP mode	Metric	Dock score	Inter norm	Contacts	HB
MK24	T20 native IFP available	T20 selection_import_t20	0.972	1.000	0.920	native_similarity	final_rank_score	-13.2375	-0.590291	10	6	Pose
MK220	T20 native IFP available	T20 selection_import_t20	0.962	1.000	0.891	native_similarity	final_rank_score	-18.3404	-0.705542	11	7	Pose
MK212	T20 native IFP available	T20 selection_import_t20	0.962	1.000	0.891	native_similarity	final_rank_score	-18.4792	-0.67916	11	5	Pose
MK219	T20 native IFP available	T20 selection_import_t20	0.962	1.000	0.891	native_similarity	final_rank_score	-19.1227	-0.655457	11	7	Pose
MK27	T10 native IFP available	T10 selection_import_t10	0.957	1.000	0.878	native_similarity	final_rank_score	-14.4168	-0.687821	18	13	Pose
MK219	T10 native IFP available	T10 selection_import_t10	0.951	1.000	0.860	native_similarity	final_rank_score	-23.8418	-1.05167	18	13	Pose
MK210	T10 native IFP available	T10 selection_import_t10	0.946	1.000	0.845	native_similarity	final_rank_score	-22.1427	-0.879267	17	11	Pose
MK218	T10 native IFP available	T10 selection_import_t10	0.941	1.000	0.832	native_similarity	final_rank_score	-28.8847	-1.01116	18	9	Pose
MK214	T01 native IFP available	T01 selection_import_t01	0.940	1.000	0.829	native_similarity	final_rank_score	-22.2351	-0.865087	21	8	Pose
MK213	T10 native IFP available	T10 selection_import_t10	0.940	1.000	0.827	native_similarity	final_rank_score	-26.2551	-1.01323	17	13	Pose
MK213	T12 native IFP available	T12 selection_import_t12	0.935	1.000	0.814	native_similarity	final_rank_score	-27.2209	-0.993468	16	10	Pose
MK212	T12 native IFP available	T12 selection_import_t12	0.935	1.000	0.814	native_similarity	final_rank_score	-27.277	-1.06365	16	11	Pose
MK218	T21 native IFP available	T21 selection_import_t21	0.934	1.000	0.812	native_similarity	final_rank_score	-18.827	-0.859307	15	12	Pose
MK217	T21 native IFP available	T21 selection_import_t21	0.932	1.000	0.807	native_similarity	final_rank_score	-25.5206	-1.02101	18	12	Pose
MK26	T12 native IFP available	T12 selection_import_t12	0.932	1.000	0.806	native_similarity	final_rank_score	-23.783	-0.768631	18	12	Pose
MK221	T10 native IFP available	T10 selection_import_t10	0.932	1.000	0.805	native_similarity	final_rank_score	-25.0393	-0.952362	18	11	Pose
MK212	T22 native IFP available	T22 selection_import_t22	0.931	1.000	0.802	native_similarity	final_rank_score	-23.1964	-1.00568	23	11	Pose
MK24	T21 native IFP available	T21 selection_import_t21	0.928	1.000	0.795	native_similarity	final_rank_score	-20.2471	-0.719793	18	13	Pose
MK21	T12 native IFP available	T12 selection_import_t12	0.928	1.000	0.795	native_similarity	final_rank_score	-24.7912	-0.910439	17	13	Pose
MK20	T12 native IFP available	T12 selection_import_t12	0.928	1.000	0.795	native_similarity	final_rank_score	-24.2562	-0.851327	17	13	Pose
MK219	T21 native IFP available	T21 selection_import_t21	0.926	1.000	0.790	native_similarity	final_rank_score	-26.2086	-0.939527	15	16	Pose
MK210	T12 native IFP available	T12 selection_import_t12	0.925	1.000	0.787	native_similarity	final_rank_score	-26.7187	-0.900912	18	12	Pose
MK221	T12 native IFP available	T12 selection_import_t12	0.925	1.000	0.786	native_similarity	final_rank_score	-24.1582	-0.850559	17	9	Pose
MK218	T22 native IFP available	T22 selection_import_t22	0.925	1.000	0.786	native_similarity	final_rank_score	-27.1386	-1.13103	24	13	Pose
MK215	T12 native IFP available	T12 selection_import_t12	0.924	1.000	0.784	native_similarity	final_rank_score	-26.5554	-1.04592	16	12	Pose
MK211	T10 native IFP available	T10 selection_import_t10	0.922	1.000	0.778	native_similarity	final_rank_score	-26.0064	-0.86353	21	11	Pose
MK217	T12 native IFP available	T12 selection_import_t12	0.922	1.000	0.777	native_similarity	final_rank_score	-29.3968	-1.11974	18	11	Pose
MK213	T12 native IFP available	T12 selection_import_t12	0.922	1.000	0.777	native_similarity	final_rank_score	-29.243	-1.05337	18	13	Pose
MK211	T12 native IFP available	T12 selection_import_t12	0.922	1.000	0.777	native_similarity	final_rank_score	-26.515	-0.939195	18	11	Pose
MK220	T10 native IFP available	T10 selection_import_t10	0.922	1.000	0.777	native_similarity	final_rank_score	-25.7232	-0.935886	16	10	Pose
MK213	T21 native IFP available	T21 selection_import_t21	0.920	1.000	0.771	native_similarity	final_rank_score	-23.3047	-0.90359	16	8	Pose
MK217	T01 native IFP available	T01 selection_import_t01	0.919	1.000	0.769	native_similarity	final_rank_score	-25.1453	-0.933689	21	11	Pose
MK213	T01 native IFP available	T01 selection_import_t01	0.918	1.000	0.764	native_similarity	final_rank_score	-27.4791	-0.858552	19	7	Pose
MK220	T21 native IFP available	T21 selection_import_t21	0.917	1.000	0.763	native_similarity	final_rank_score	-21.3656	-0.878682	17	12	Pose
MK26	T10 native IFP available	T10 selection_import_t10	0.917	1.000	0.762	native_similarity	final_rank_score	-21.8396	-0.742379	16	12	Pose
MK217	T17 native IFP available	T17 selection_import_t17	0.916	1.000	0.761	native_similarity	final_rank_score	-24.1464	-0.845928	17	8	Pose
MK219	T12 native IFP available	T12 selection_import_t12	0.914	1.000	0.756	native_similarity	final_rank_score	-24.5452	-1.02523	18	10	Pose
MK214	T10 native IFP available	T10 selection_import_t10	0.912	1.000	0.750	native_similarity	final_rank_score	-24.9333	-0.93725	16	9	Pose
MK220	T12 native IFP available	T12 selection_import_t12	0.911	1.000	0.747	native_similarity	final_rank_score	-29.2458	-0.925711	20	13	Pose
MK29	T12 native IFP available	T12 selection_import_t12	0.911	1.000	0.747	native_similarity	final_rank_score	-25.0678	-1.19377	19	8	Pose
MK220	T22 native IFP available	T22 selection_import_t22	0.911	1.000	0.745	native_similarity	final_rank_score	-29.9385	-0.968125	25	9	Pose
MK215	T21 native IFP available	T21 selection_import_t21	0.909	1.000	0.741	native_similarity	final_rank_score	-23.0251	-0.841824	17	11	Pose
MK212	T21 native IFP available	T21 selection_import_t21	0.909	1.000	0.741	native_similarity	final_rank_score	-22.083	-0.959178	17	11	Pose
MK221	T21 native IFP available	T21 selection_import_t21	0.908	1.000	0.738	native_similarity	final_rank_score	-26.5329	-0.96868	18	9	Pose
MK21	T20 native IFP available	T20 selection_import_t20	0.904	1.000	0.725	native_similarity	final_rank_score	-15.3157	-0.552763	10	8	Pose
MK25	T20 native IFP available	T20 selection_import_t20	0.904	1.000	0.725	native_similarity	final_rank_score	-16.9495	-0.622233	10	7	Pose
MK213	T21 native IFP available	T21 selection_import_t21	0.904	1.000	0.725	native_similarity	final_rank_score	-24.6013	-0.990465	19	12	Pose
MK27	T02 native IFP available	T02 selection_import_t02	0.903	1.000	0.722	native_similarity	final_rank_score	-21.8309	-0.715633	21	3	Pose
MK214	T21 native IFP available	T21 selection_import_t21	0.902	1.000	0.719	native_similarity	final_rank_score	-26.8846	-0.953192	17	11	Pose
MK218	T12 native IFP available	T12 selection_import_t12	0.901	1.000	0.717	native_similarity	final_rank_score	-23.7953	-0.891707	18	8	Pose
MK214	T12 native IFP available	T12 selection_import_t12	0.901	1.000	0.717	native_similarity	final_rank_score	-22.3766	-0.906194	20	10	Pose
MK210	T21 native IFP available	T21 selection_import_t21	0.900	1.000	0.713	native_similarity	final_rank_score	-19.4611	-0.771278	18	11	Pose
MK2	T21 native IFP available	T21 selection_import_t21	0.899	1.000	0.711	native_similarity	final_rank_score	-20.3337	-0.827143	19	9	Pose
MK211	T20 native IFP available	T20 selection_import_t20	0.898	1.000	0.710	native_similarity	final_rank_score	-17.3714	-0.62579	11	9	Pose
MK217	T08 native IFP available	T08 selection_import_t08	0.898	1.000	0.709	native_similarity	final_rank_score	-30.9473	-1.21355	16	7	Pose
MK26	T11 native IFP available	T11 selection_import_t11	0.897	1.000	0.706	native_similarity	final_rank_score	-20.5436	-0.710593	20	3	Pose
MK21	T13 native IFP available	T13 selection_import_t13	0.896	1.000	0.702	native_similarity	final_rank_score	-25.9908	-0.807497	20	6	Pose
MK24	T22 native IFP available	T22 selection_import_t22	0.894	1.000	0.697	native_similarity	final_rank_score	-31.6518	-0.894038	16	8	Pose
MK215	T01 native IFP available	T01 selection_import_t01	0.893	1.000	0.693	native_similarity	final_rank_score	-20.0103	-0.894578	19	6	Pose
MK219	T03 native IFP available	T03 selection_import_t03	0.892	1.000	0.690	native_similarity	final_rank_score	-22.9516	-0.869732	18	3	Pose
MK215	T02 native IFP available	T02 selection_import_t02	0.890	1.000	0.684	native_similarity	final_rank_score	-25.6982	-0.919315	22	7	Pose
MK29	T03 native IFP available	T03 selection_import_t03	0.889	1.000	0.683	native_similarity	final_rank_score	-26.0885	-1.14752	18	5	Pose
MK218	T11 native IFP available	T11 selection_import_t11	0.889	1.000	0.683	native_similarity	final_rank_score	-21.5987	-0.798347	15	5	Pose
MK213	T13 native IFP available	T13 selection_import_t13	0.888	1.000	0.681	native_similarity	final_rank_score	-30.5138	-1.13906	18	11	Pose
MK212	T10 native IFP available	T10 selection_import_t10	0.884	1.000	0.669	native_similarity	final_rank_score	-21.4809	-0.927355	13	16	Pose
MK221	T03 native IFP available	T03 selection_import_t03	0.883	1.000	0.665	native_similarity	final_rank_score	-25.638	-0.852875	17	5	Pose
MK29	T10 native IFP available	T10 selection_import_t10	0.880	1.000	0.658	native_similarity	final_rank_score	-25.1956	-1.0661	15	7	Pose
MK215	T11 native IFP available	T11 selection_import_t11	0.877	1.000	0.648	native_similarity	final_rank_score	-17.9044	-0.856627	17	6	Pose
MK211	T11 native IFP available	T11 selection_import_t11	0.876	1.000	0.645	native_similarity	final_rank_score	-20.2105	-0.752336	14	6	Pose
MK21	T01 native IFP available	T01 selection_import_t01	0.876	1.000	0.644	native_similarity	final_rank_score	-25.8906	-0.85308	19	4	Pose
MK218	T13 native IFP available	T13 selection_import_t13	0.875	1.000	0.644	native_similarity	final_rank_score	-24.7522	-0.93039	15	7	Pose
MK29	T13 native IFP available	T13 selection_import_t13	0.874	1.000	0.641	native_similarity	final_rank_score	-25.6351	-1.12179	19	7	Pose
MK221	T17 native IFP available	T17 selection_import_t17	0.874	1.000	0.639	native_similarity	final_rank_score	-18.9353	-0.697525	19	6	Pose
MK21	T17 native IFP available	T17 selection_import_t17	0.874	1.000	0.639	native_similarity	final_rank_score	-22.4969	-0.725319	19	9	Pose
MK221	T13 native IFP available	T13 selection_import_t13	0.873	1.000	0.638	native_similarity	final_rank_score	-23.0569	-0.860195	18	14	Pose
MK219	T13 native IFP available	T13 selection_import_t13	0.873	1.000	0.638	native_similarity	final_rank_score	-21.9628	-0.919734	18	10	Pose
MK2	T11 native IFP available	T11 selection_import_t11	0.873	1.000	0.638	native_similarity	final_rank_score	-20.4234	-0.802528	18	6	Pose
MK221	T14 native IFP available	T14 selection_import_t14	0.871	1.000	0.633	native_similarity	final_rank_score	-20.4346	-0.72587	16	11	Pose
MK213	T13 native IFP available	T13 selection_import_t13	0.870	1.000	0.630	native_similarity	final_rank_score	-30.2339	-1.10423	20	10	Pose
MK211	T17 native IFP available	T17 selection_import_t17	0.870	1.000	0.628	native_similarity	final_rank_score	-23.8503	-0.891979	21	8	Pose
MK2	T12 native IFP available	T12 selection_import_t12	0.869	1.000	0.627	native_similarity	final_rank_score	-30.0305	-0.885488	20	8	Pose
MK219	T22 native IFP available	T22 selection_import_t22	0.869	1.000	0.625	native_similarity	final_rank_score	-21.8269	-0.970374	23	13	Pose
MK29	T20 native IFP available	T20 selection_import_t20	0.867	1.000	0.620	native_similarity	final_rank_score	-17.732	-0.792808	10	6	Pose
MK214	T11 native IFP available	T11 selection_import_t11	0.867	1.000	0.620	native_similarity	final_rank_score	-24.0477	-0.904519	20	6	Pose
MK219	T07 native IFP available	T07 selection_import_t07	0.866	1.000	0.618	native_similarity	final_rank_score	-31.6043	-1.27139	19	10	Pose
MK214	T17 native IFP available	T17 selection_import_t17	0.865	1.000	0.615	native_similarity	final_rank_score	-21.1377	-0.7676	15	6	Pose
MK215	T10 native IFP available	T10 selection_import_t10	0.865	1.000	0.615	native_similarity	final_rank_score	-19.8913	-0.948161	13	14	Pose
MK219	T09 native IFP available	T09 selection_import_t09	0.865	1.000	0.614	native_similarity	final_rank_score	-20.296	-0.840741	18	7	Pose
MK210	T02 native IFP available	T02 selection_import_t02	0.865	1.000	0.613	native_similarity	final_rank_score	-22.1443	-0.795495	17	7	Pose
MK221	T07 native IFP available	T07 selection_import_t07	0.864	1.000	0.613	native_similarity	final_rank_score	-26.071	-0.934394	15	5	Pose
MK212	T01 native IFP available	T01 selection_import_t01	0.864	1.000	0.612	native_similarity	final_rank_score	-23.6338	-0.891386	18	4	Pose
MK212	T02 native IFP available	T02 selection_import_t02	0.864	1.000	0.612	native_similarity	final_rank_score	-25.5199	-0.917016	18	4	Pose
MK219	T11 native IFP available	T11 selection_import_t11	0.863	1.000	0.609	native_similarity	final_rank_score	-22.5817	-0.793892	14	3	Pose
MK213	T08 native IFP available	T08 selection_import_t08	0.863	1.000	0.608	native_similarity	final_rank_score	-29.7477	-1.13109	16	9	Pose
MK221	T01 native IFP available	T01 selection_import_t01	0.862	1.000	0.605	native_similarity	final_rank_score	-20.1332	-0.793315	20	4	Pose
MK214	T07 native IFP available	T07 selection_import_t07	0.861	1.000	0.604	native_similarity	final_rank_score	-38.5187	-1.38981	19	6	Pose
MK212	T08 native IFP available	T08 selection_import_t08	0.861	1.000	0.604	native_similarity	final_rank_score	-31.9296	-1.10857	19	5	Pose
MK213	T11 native IFP available	T11 selection_import_t11	0.859	1.000	0.597	native_similarity	final_rank_score	-19.6852	-0.824137	12	7	Pose
MK217	T11 native IFP available	T11 selection_import_t11	0.859	1.000	0.597	native_similarity	final_rank_score	-25.7152	-0.951662	12	6	Pose
MK219	T08 native IFP available	T08 selection_import_t08	0.858	1.000	0.596	native_similarity	final_rank_score	-23.2914	-1.01026	17	7	Pose
MK220	T05 native IFP available	T05 selection_import_t05	0.857	1.000	0.592	native_similarity	final_rank_score	-22.4828	-0.8863	14	4	Pose
MK214	T03 native IFP available	T03 selection_import_t03	0.852	1.000	0.578	native_similarity	final_rank_score	-28.1626	-1.03815	19	5	Pose
MK217	T03 native IFP available	T03 selection_import_t03	0.852	1.000	0.578	native_similarity	final_rank_score	-28.665	-1.02891	19	4	Pose
MK217	T13 native IFP available	T13 selection_import_t13	0.851	1.000	0.574	native_similarity	final_rank_score	-27.321	-1.00251	17	7	Pose
MK213	T07 native IFP available	T07 selection_import_t07	0.849	1.000	0.570	native_similarity	final_rank_score	-30.931	-1.24727	18	5	Pose
MK26	T01 native IFP available	T01 selection_import_t01	0.848	1.000	0.567	native_similarity	final_rank_score	-21.6464	-0.730471	18	2	Pose
MK21	T02 native IFP available	T02 selection_import_t02	0.848	1.000	0.565	native_similarity	final_rank_score	-23.5528	-0.746738	20	2	Pose
MK210	T11 native IFP available	T11 selection_import_t11	0.848	1.000	0.565	native_similarity	final_rank_score	-20.7925	-0.748171	17	5	Pose
MK211	T09 native IFP available	T09 selection_import_t09	0.848	1.000	0.564	native_similarity	final_rank_score	-22.7292	-0.794452	18	5	Pose
MK27	T17 native IFP available	T17 selection_import_t17	0.846	1.000	0.561	native_similarity	final_rank_score	-19.3613	-0.628274	17	4	Pose
MK220	T03 native IFP available	T03 selection_import_t03	0.845	1.000	0.558	native_similarity	final_rank_score	-24.4595	-0.950834	17	5	Pose
MK210	T01 native IFP available	T01 selection_import_t01	0.844	1.000	0.555	native_similarity	final_rank_score	-21.1675	-0.787785	19	4	Pose
MK215	T13 native IFP available	T13 selection_import_t13	0.844	1.000	0.554	native_similarity	final_rank_score	-26.4577	-1.04357	19	9	Pose
MK214	T02 native IFP available	T02 selection_import_t02	0.843	1.000	0.552	native_similarity	final_rank_score	-21.6678	-0.870388	18	2	Pose
MK218	T05 native IFP available	T05 selection_import_t05	0.843	1.000	0.552	native_similarity	final_rank_score	-25.0763	-0.909145	13	5	Pose
MK2	T10 native IFP available	T10 selection_import_t10	0.843	1.000	0.552	native_similarity	final_rank_score	-16.5629	-0.749937	15	11	Pose
MK213	T14 native IFP available	T14 selection_import_t14	0.842	1.000	0.549	native_similarity	final_rank_score	-22.0764	-0.795591	13	7	Pose
MK218	T09 native IFP available	T09 selection_import_t09	0.840	1.000	0.544	native_similarity	final_rank_score	-28.4151	-0.996002	17	5	Pose
MK215	T20 native IFP available	T20 selection_import_t20	0.840	1.000	0.542	native_similarity	final_rank_score	-15.8541	-0.65051	9	4	Pose
MK214	T13 native IFP available	T13 selection_import_t13	0.839	1.000	0.540	native_similarity	final_rank_score	-25.7758	-0.940866	19	8	Pose
MK25	T14 native IFP available	T14 selection_import_t14	0.839	1.000	0.540	native_similarity	final_rank_score	-24.1478	-0.882304	14	9	Pose
MK210	T07 native IFP available	T07 selection_import_t07	0.838	1.000	0.538	native_similarity	final_rank_score	-25.815	-0.935497	14	8	Pose
MK210	T20 native IFP available	T20 selection_import_t20	0.835	1.000	0.529	native_similarity	final_rank_score	-14.3237	-0.611091	14	5	Pose
MK221	T20 native IFP available	T20 selection_import_t20	0.835	1.000	0.529	native_similarity	final_rank_score	-19.6032	-0.611785	14	8	Pose
MK219	T02 native IFP available	T02 selection_import_t02	0.834	1.000	0.526	native_similarity	final_rank_score	-23.8784	-0.909592	20	2	Pose
MK215	T05 native IFP available	T05 selection_import_t05	0.834	1.000	0.525	native_similarity	final_rank_score	-23.0078	-0.975337	15	5	Pose
MK211	T03 native IFP available	T03 selection_import_t03	0.834	1.000	0.525	native_similarity	final_rank_score	-21.2829	-0.855996	16	7	Pose
MK211	T07 native IFP available	T07 selection_import_t07	0.834	1.000	0.525	native_similarity	final_rank_score	-27.9485	-0.969686	18	9	Pose
MK217	T07 native IFP available	T07 selection_import_t07	0.834	1.000	0.525	native_similarity	final_rank_score	-36.348	-1.34281	18	7	Pose
MK214	T08 native IFP available	T08 selection_import_t08	0.834	1.000	0.525	native_similarity	final_rank_score	-31.5346	-1.22398	18	8	Pose
MK211	T01 native IFP available	T01 selection_import_t01	0.834	1.000	0.524	native_similarity	final_rank_score	-26.5781	-0.779283	18	4	Pose
MK219	T01 native IFP available	T01 selection_import_t01	0.834	1.000	0.524	native_similarity	final_rank_score	-22.7415	-0.847963	18	4	Pose
MK210	T09 native IFP available	T09 selection_import_t09	0.833	1.000	0.524	native_similarity	final_rank_score	-24.9661	-0.85087	18	9	Pose
MK220	T01 native IFP available	T01 selection_import_t01	0.833	1.000	0.522	native_similarity	final_rank_score	-24.2651	-0.927161	16	8	Pose
MK213	T08 native IFP available	T08 selection_import_t08	0.832	1.000	0.520	native_similarity	final_rank_score	-31.7677	-1.16463	13	11	Pose
MK213	T02 native IFP available	T02 selection_import_t02	0.832	1.000	0.519	native_similarity	final_rank_score	-23.9953	-0.870106	17	5	Pose
MK212	T07 native IFP available	T07 selection_import_t07	0.831	1.000	0.518	native_similarity	final_rank_score	-24.3478	-1.0565	16	4	Pose
MK218	T07 native IFP available	T07 selection_import_t07	0.831	1.000	0.518	native_similarity	final_rank_score	-28.4462	-1.07634	16	9	Pose
MK211	T13 native IFP available	T13 selection_import_t13	0.831	1.000	0.517	native_similarity	final_rank_score	-29.0361	-0.908111	17	6	Pose
MK211	T02 native IFP available	T02 selection_import_t02	0.830	1.000	0.514	native_similarity	final_rank_score	-27.4888	-0.881859	19	7	Pose
MK220	T07 native IFP available	T07 selection_import_t07	0.830	1.000	0.514	native_similarity	final_rank_score	-27.1203	-0.990165	12	8	Pose
MK24	T18 native IFP available	T18 selection_import_t18	0.829	1.000	0.513	native_similarity	final_rank_score	-15.3697	-0.615287	15	4	Pose
MK215	T22 native IFP available	T22 selection_import_t22	0.829	1.000	0.512	native_similarity	final_rank_score	-28.1541	-1.03812	17	16	Pose
MK220	T09 native IFP available	T09 selection_import_t09	0.827	1.000	0.504	native_similarity	final_rank_score	-20.1063	-0.802147	19	3	Pose
MK2	T07 native IFP available	T07 selection_import_t07	0.826	1.000	0.502	native_similarity	final_rank_score	-27.0051	-1.02348	16	6	Pose
MK29	T07 native IFP available	T07 selection_import_t07	0.826	1.000	0.501	native_similarity	final_rank_score	-32.3181	-1.466	18	6	Pose
MK29	T08 native IFP available	T08 selection_import_t08	0.826	1.000	0.501	native_similarity	final_rank_score	-30.2174	-1.35024	18	6	Pose
MK205	T02 native IFP available	T02 selection_import_t02	0.823	1.000	0.495	native_similarity	final_rank_score	-22.0882	-0.760329	19	0	Pose
MK2	T02 native IFP available	T02 selection_import_t02	0.823	1.000	0.495	native_similarity	final_rank_score	-24.0361	-0.798718	19	4	Pose
MK213	T11 native IFP available	T11 selection_import_t11	0.821	1.000	0.490	native_similarity	final_rank_score	-24.0478	-0.876999	20	4	Pose
MK205	T04 native IFP available	T04 selection_import_t04	0.821	1.000	0.489	native_similarity	final_rank_score	-26.0466	-0.844389	13	3	Pose
MK218	T06 native IFP available	T06 selection_import_t06	0.820	1.000	0.486	native_similarity	final_rank_score	-19.682	-0.767138	18	6	Pose
MK211	T18 native IFP available	T18 selection_import_t18	0.820	1.000	0.485	native_similarity	final_rank_score	-17.2385	-0.643978	17	5	Pose
MK219	T16 native IFP available	T16 selection_import_t16	0.820	1.000	0.485	native_similarity	final_rank_score	-18.3424	-0.719662	15	7	Pose
MK212	T09 native IFP available	T09 selection_import_t09	0.819	1.000	0.483	native_similarity	final_rank_score	-22.6572	-0.90845	17	5	Pose
MK21	T14 native IFP available	T14 selection_import_t14	0.818	1.000	0.480	native_similarity	final_rank_score	-25.2273	-0.765126	14	6	Pose
MK24	T14 native IFP available	T14 selection_import_t14	0.818	1.000	0.480	native_similarity	final_rank_score	-26.0627	-0.652326	14	9	Pose
MK221	T06 native IFP available	T06 selection_import_t06	0.818	1.000	0.479	native_similarity	final_rank_score	-21.4215	-0.801816	19	4	Pose
MK220	T06 native IFP available	T06 selection_import_t06	0.817	1.000	0.478	native_similarity	final_rank_score	-18.5123	-0.779872	19	6	Pose
MK21	T11 native IFP available	T11 selection_import_t11	0.816	1.000	0.475	native_similarity	final_rank_score	-25.8713	-0.732684	20	2	Pose
MK2	T09 native IFP available	T09 selection_import_t09	0.816	1.000	0.474	native_similarity	final_rank_score	-26.0142	-0.828931	18	6	Pose
MK204	T04 native IFP available	T04 selection_import_t04	0.816	1.000	0.474	native_similarity	final_rank_score	-34.1664	-1.01297	12	3	Pose
MK28	T17 native IFP available	T17 selection_import_t17	0.815	1.000	0.472	native_similarity	final_rank_score	-19.5113	-0.904387	16	7	Pose
MK219	T06 native IFP available	T06 selection_import_t06	0.815	1.000	0.470	native_similarity	final_rank_score	-20.4397	-0.775134	20	3	Pose
MK21	T15 native IFP available	T15 selection_import_t15	0.813	1.000	0.466	native_similarity	final_rank_score	-21.3722	-0.690767	14	3	Pose
MK217	T06 native IFP available	T06 selection_import_t06	0.811	1.000	0.461	native_similarity	final_rank_score	-19.2443	-0.81043	18	4	Pose
MK218	T02 native IFP available	T02 selection_import_t02	0.809	1.000	0.454	native_similarity	final_rank_score	-20.6112	-0.892143	19	3	Pose
MK2	T16 native IFP available	T16 selection_import_t16	0.807	1.000	0.450	native_similarity	final_rank_score	-16.4763	-0.737114	18	7	Pose
MK211	T06 native IFP available	T06 selection_import_t06	0.807	1.000	0.449	native_similarity	final_rank_score	-19.1442	-0.71887	18	4	Pose
MK21	T03 native IFP available	T03 selection_import_t03	0.805	1.000	0.443	native_similarity	final_rank_score	-24.7584	-0.790782	14	3	Pose
MK217	T18 native IFP available	T18 selection_import_t18	0.804	1.000	0.441	native_similarity	final_rank_score	-21.259	-0.774378	16	5	Pose
MK213	T18 native IFP available	T18 selection_import_t18	0.804	1.000	0.441	native_similarity	final_rank_score	-20.4723	-0.79049	16	4	Pose
MK210	T06 native IFP available	T06 selection_import_t06	0.804	1.000	0.440	native_similarity	final_rank_score	-18.2943	-0.717884	19	3	Pose
MK23	T14 native IFP available	T14 selection_import_t14	0.804	1.000	0.440	native_similarity	final_rank_score	-22.0878	-0.691743	13	8	Pose
MK220	T16 native IFP available	T16 selection_import_t16	0.803	1.000	0.437	native_similarity	final_rank_score	-19.4033	-0.716261	14	6	Pose
MK217	T02 native IFP available	T02 selection_import_t02	0.802	1.000	0.433	native_similarity	final_rank_score	-25.3471	-0.854583	17	2	Pose
MK205	T09 native IFP available	T09 selection_import_t09	0.802	1.000	0.433	native_similarity	final_rank_score	-26.2719	-0.75179	17	1	Pose
MK2	T14 native IFP available	T14 selection_import_t14	0.801	1.000	0.432	native_similarity	final_rank_score	-16.628	-0.709141	14	8	Pose
MK220	T18 native IFP available	T18 selection_import_t18	0.801	1.000	0.431	native_similarity	final_rank_score	-14.4334	-0.732874	17	9	Pose
MK220	T14 native IFP available	T14 selection_import_t14	0.800	1.000	0.429	native_similarity	final_rank_score	-20.3152	-0.874068	13	7	Pose
MK213	T14 native IFP available	T14 selection_import_t14	0.800	1.000	0.429	native_similarity	final_rank_score	-19.1475	-0.776336	13	5	Pose
MK213	T05 native IFP available	T05 selection_import_t05	0.800	1.000	0.428	native_similarity	final_rank_score	-27.2137	-1.05865	11	11	Pose
MK24	T16 native IFP available	T16 selection_import_t16	0.799	1.000	0.425	native_similarity	final_rank_score	-23.3913	-0.688479	15	4	Pose
MK204	T17 native IFP available	T17 selection_import_t17	0.799	1.000	0.425	native_similarity	final_rank_score	-24.2979	-0.711975	15	8	Pose
MK29	T14 native IFP available	T14 selection_import_t14	0.799	1.000	0.425	native_similarity	final_rank_score	-20.4383	-0.915922	9	7	Pose
MK221	T11 native IFP available	T11 selection_import_t11	0.799	1.000	0.425	native_similarity	final_rank_score	-22.1827	-0.753355	20	4	Pose
MK215	T15 native IFP available	T15 selection_import_t15	0.797	1.000	0.419	native_similarity	final_rank_score	-18.7773	-0.782884	13	7	Pose
MK214	T06 native IFP available	T06 selection_import_t06	0.795	1.000	0.415	native_similarity	final_rank_score	-18.4186	-0.788125	19	5	Pose
MK213	T06 native IFP available	T06 selection_import_t06	0.795	1.000	0.415	native_similarity	final_rank_score	-20.6159	-0.825708	19	5	Pose
MK2	T19 native IFP available	T19 selection_import_t19	0.793	1.000	0.408	native_similarity	final_rank_score	-30.2461	-0.963848	16	8	Pose
MK219	T14 native IFP available	T14 selection_import_t14	0.791	1.000	0.404	native_similarity	final_rank_score	-22.7305	-0.902686	19	9	Pose
MK212	T18 native IFP available	T18 selection_import_t18	0.789	1.000	0.397	native_similarity	final_rank_score	-22.4987	-0.896443	15	5	Pose
MK213	T18 native IFP available	T18 selection_import_t18	0.789	1.000	0.397	native_similarity	final_rank_score	-16.1709	-0.701211	15	2	Pose
MK205	T20 native IFP available	T20 selection_import_t20	0.789	1.000	0.396	native_similarity	final_rank_score	-21.6593	-0.592942	12	7	Pose
MK214	T09 native IFP available	T09 selection_import_t09	0.788	1.000	0.394	native_similarity	final_rank_score	-25.193	-0.915396	17	3	Pose
MK219	T18 native IFP available	T18 selection_import_t18	0.786	1.000	0.388	native_similarity	final_rank_score	-17.9163	-0.671287	16	7	Pose
MK213	T09 native IFP available	T09 selection_import_t09	0.785	1.000	0.386	native_similarity	final_rank_score	-26.4284	-0.941482	18	4	Pose
MK215	T14 native IFP available	T14 selection_import_t14	0.785	1.000	0.385	native_similarity	final_rank_score	-27.3937	-1.08458	15	10	Pose
MK218	T14 native IFP available	T14 selection_import_t14	0.785	1.000	0.385	native_similarity	final_rank_score	-17.5204	-0.83684	15	10	Pose
MK213	T17 native IFP available	T17 selection_import_t17	0.784	1.000	0.382	native_similarity	final_rank_score	-22.0335	-0.809948	20	6	Pose
MK210	T14 native IFP available	T14 selection_import_t14	0.783	1.000	0.380	native_similarity	final_rank_score	-19.9589	-0.725884	13	9	Pose
MK212	T14 native IFP available	T14 selection_import_t14	0.783	1.000	0.380	native_similarity	final_rank_score	-22.1717	-0.793065	13	7	Pose
MK212	T17 native IFP available	T17 selection_import_t17	0.782	1.000	0.378	native_similarity	final_rank_score	-17.4654	-0.750638	14	4	Pose
MK21	T09 native IFP available	T09 selection_import_t09	0.782	1.000	0.376	native_similarity	final_rank_score	-26.4435	-0.829249	16	5	Pose
MK2	T17 native IFP available	T17 selection_import_t17	0.781	1.000	0.375	native_similarity	final_rank_score	-16.7105	-0.682875	21	8	Pose
MK24	T17 native IFP available	T17 selection_import_t17	0.778	1.000	0.364	native_similarity	final_rank_score	-19.1392	-0.666969	15	5	Pose
MK26	T15 native IFP available	T15 selection_import_t15	0.777	1.000	0.364	native_similarity	final_rank_score	-20.093	-0.712779	19	5	Pose
MK210	T03 native IFP available	T03 selection_import_t03	0.777	1.000	0.364	native_similarity	final_rank_score	-22.7969	-0.91548	16	6	Pose
MK21	T18 native IFP available	T18 selection_import_t18	0.777	1.000	0.362	native_similarity	final_rank_score	-19.7342	-0.6785	13	5	Pose
MK213	T09 native IFP available	T09 selection_import_t09	0.775	1.000	0.356	native_similarity	final_rank_score	-26.2628	-0.939642	17	3	Pose
MK217	T09 native IFP available	T09 selection_import_t09	0.775	1.000	0.356	native_similarity	final_rank_score	-29.1429	-1.07479	17	4	Pose
MK214	T14 native IFP available	T14 selection_import_t14	0.774	1.000	0.353	native_similarity	final_rank_score	-23.3756	-0.82747	13	9	Pose
MK26	T14 native IFP available	T14 selection_import_t14	0.774	1.000	0.353	native_similarity	final_rank_score	-18.331	-0.658338	17	8	Pose
MK214	T15 native IFP available	T15 selection_import_t15	0.774	1.000	0.353	native_similarity	final_rank_score	-18.3294	-0.794253	14	8	Pose
MK218	T18 native IFP available	T18 selection_import_t18	0.774	1.000	0.353	native_similarity	final_rank_score	-17.6481	-0.77267	14	3	Pose
MK20	T18 native IFP available	T18 selection_import_t18	0.774	1.000	0.353	native_similarity	final_rank_score	-18.7215	-0.652871	14	6	Pose
MK213	T15 native IFP available	T15 selection_import_t15	0.772	1.000	0.348	native_similarity	final_rank_score	-24.6948	-0.921618	9	7	Pose
MK215	T03 native IFP available	T03 selection_import_t03	0.771	1.000	0.345	native_similarity	final_rank_score	-22.6233	-0.926625	13	4	Pose
MK29	T15 native IFP available	T15 selection_import_t15	0.771	1.000	0.345	native_similarity	final_rank_score	-21.1841	-1.02286	15	6	Pose
MK213	T02 native IFP available	T02 selection_import_t02	0.769	1.000	0.339	native_similarity	final_rank_score	-26.3343	-0.859805	12	3	Pose
MK220	T15 native IFP available	T15 selection_import_t15	0.768	1.000	0.337	native_similarity	final_rank_score	-19.6976	-0.775497	10	10	Pose
MK217	T14 native IFP available	T14 selection_import_t14	0.765	1.000	0.327	native_similarity	final_rank_score	-20.0163	-0.863187	14	8	Pose
MK217	T15 native IFP available	T15 selection_import_t15	0.761	1.000	0.317	native_similarity	final_rank_score	-22.0884	-0.888962	12	10	Pose
MK26	T17 native IFP available	T17 selection_import_t17	0.760	1.000	0.314	native_similarity	final_rank_score	-20.8205	-0.679398	24	5	Pose
MK2	T03 native IFP available	T03 selection_import_t03	0.760	1.000	0.313	native_similarity	final_rank_score	-29.7642	-0.887797	12	5	Pose
MK218	T03 native IFP available	T03 selection_import_t03	0.759	1.000	0.310	native_similarity	final_rank_score	-29.1342	-0.971001	15	5	Pose
MK215	T19 native IFP available	T19 selection_import_t19	0.758	1.000	0.309	native_similarity	final_rank_score	-28.622	-1.0526	13	12	Pose
MK214	T18 native IFP available	T18 selection_import_t18	0.758	1.000	0.309	native_similarity	final_rank_score	-20.1889	-0.733449	13	6	Pose
MK21	T16 native IFP available	T16 selection_import_t16	0.756	1.000	0.302	native_similarity	final_rank_score	-25.3532	-0.782028	17	5	Pose
MK214	T19 native IFP available	T19 selection_import_t19	0.755	1.000	0.301	native_similarity	final_rank_score	-30.3951	-1.09624	15	10	Pose
MK27	T16 native IFP available	T16 selection_import_t16	0.754	1.000	0.297	native_similarity	final_rank_score	-21.9374	-0.674099	18	4	Pose
MK212	T03 native IFP available	T03 selection_import_t03	0.749	1.000	0.282	native_similarity	final_rank_score	-25.3934	-0.981845	11	5	Pose
MK20	T16 native IFP available	T16 selection_import_t16	0.741	1.000	0.259	native_similarity	final_rank_score	-22.318	-0.667122	16	3	Pose
MK219	T15 native IFP available	T15 selection_import_t15	0.738	1.000	0.253	native_similarity	final_rank_score	-19.7213	-0.760916	14	10	Pose
MK213	T03 native IFP available	T03 selection_import_t03	0.737	1.000	0.248	native_similarity	final_rank_score	-25.9969	-0.968338	13	6	Pose
MK218	T17 native IFP available	T17 selection_import_t17	0.736	1.000	0.246	native_similarity	final_rank_score	-16.7004	-0.752019	19	7	Pose
MK217	T16 native IFP available	T16 selection_import_t16	0.727	1.000	0.220	native_similarity	final_rank_score	-20.814	-0.826607	14	7	Pose
MK210	T17 native IFP available	T17 selection_import_t17	0.722	1.000	0.205	native_similarity	final_rank_score	-19.8354	-0.730767	18	6	Pose
MK218	T19 native IFP available	T19 selection_import_t19	0.717	1.000	0.190	native_similarity	final_rank_score	-23.5396	-1.01685	22	9	Pose