Screening Results

Screening Results : Docking based on all models from entry : EGFR_HUMAN

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Study :

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Values:

				Complex support [Template (Ident) + Anchor] Model Quality (QMean)	Position of Lig.	Study	Filter	Measure
1	7.2	2.1	103904420	4JQ8 (100%) + KJ8_A_2 QMean=0.471	P1: (4 Cplx.)	RUN1	DO	pKi= 8.4
2	9.9	1.5	103904420	2RGP (100%) + HYZ_A_4 QMean=0.507	P1: (4 Cplx.)	RUN2	DO	pKi= 8.4
3	10.4	0.8	103905566	3PP0 (78%) + 03Q_B_4 QMean=0.457	P1: (8 Cplx.)	RUN2	DO	pKi= 8.2
4	9.9	1.2	103905566	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (3 Cplx.)	RUN0	DO	pKi= 8.2
5	9.5	1.0	103905566	3PP0 (78%) + 03Q_B_4 QMean=0.457	P1: (7 Cplx.)	RUN1	DO	pKi= 8.2
6	8.5	2.1	103904411	4JRV (100%) + KJV_A_2 QMean=0.473	P1: (4 Cplx.)	RUN1	DO	pKi= 7.8
7	7.9	2.5	103904411	4JQ7 (100%) + KJQ_A_2 QMean=0.485	P1: (3 Cplx.)	RUN2	DO	pKi= 7.8
8	6.3	2.2	103905532	4FYO (42%) + 0VF_A_2 QMean=0.445	P1: (9 Cplx.)	RUN1	DO	pKi= 7.7
9	7.6	0.7	103905140	3LZB (99%) + ITI_B_10 QMean=0.501	P3: (3 Cplx.)	RUN0	DO	pKi= 7.7
10	7.1	1.2	103905532	2ITQ (99%) + STU_A_2 QMean=0.421	P2: (3 Cplx.)	RUN0	DO	pKi= 7.7
11	7.8	1.1	103905140	4JRV (100%) + KJV_A_2 QMean=0.473	P1: (13 Cplx.)	RUN1	DO	pKi= 7.7
12	7.0	2.3	103905532	4JR3 (100%) + KJR_A_2 QMean=0.479	P1: (6 Cplx.)	RUN2	DO	pKi= 7.7
13	7.6	1.1	103905140	4JQ8 (100%) + KJ8_A_2 QMean=0.471	P1: (10 Cplx.)	RUN2	DO	pKi= 7.7
14	7.5	2.1	103905531	4FYO (42%) + 0VF_A_2 QMean=0.445	P1: (5 Cplx.)	RUN2	DO	pKi= 7.6
15	6.2	1.1	103905540	U154 (100%) + xxx_A_2 QMean=0.474	P2: (4 Cplx.)	RUN0	DO	pKi= 7.6
16	7.2	2.0	103905531	4JR3 (100%) + KJR_A_2 QMean=0.479	P1: (10 Cplx.)	RUN1	DO	pKi= 7.6
17	9.2	1.9	103905316	3BEL (100%) + POX_A_4 QMean=0.459	P1: (5 Cplx.)	RUN2	DO	pKi= 7.6
18	5.9	1.3	103905540	2RGP (100%) + HYZ_A_4 QMean=0.507	P2: (4 Cplx.)	RUN2	DO	pKi= 7.6
19	7.7	2.3	103905316	3W33 (100%) + W19_A_2 QMean=0.487	P1: (3 Cplx.)	RUN1	DO	pKi= 7.6
20	6.4	1.6	103905540	3PP0 (78%) + 03Q_B_4 QMean=0.457	P3: (4 Cplx.)	RUN1	DO	pKi= 7.6
21	8.5	1.4	103904991	3W32 (100%) + W32_A_2 QMean=0.498	P1: (10 Cplx.)	RUN1	DO	pKi= 7.5
22	8.8	2.0	103904417	4JRV (100%) + KJV_A_2 QMean=0.473	P1: (3 Cplx.)	RUN2	DO	pKi= 7.5
23	9.6	1.5	103904991	U156 (100%) + xxx_A_2 QMean=0.468	P1: (7 Cplx.)	RUN0	DO	pKi= 7.5
24	9.7	1.1	103904991	3W33 (100%) + W19_A_2 QMean=0.487	P2: (3 Cplx.)	RUN2	DO	pKi= 7.5
25	6.7	2.5	103904601	4I22 (99%) + IRE_A_2 QMean=0.468	P1: (4 Cplx.)	RUN2	DO	pKi= 7.5
26	7.1	2.4	103904550	2ITO (99%) + IRE_A_2 QMean=0.431	P3: (5 Cplx.)	RUN0	DO	pKi= 7.4
27	6.8	0.9	103904550	4JRV (100%) + KJV_A_2 QMean=0.473	P1: (7 Cplx.)	RUN1	DO	pKi= 7.4
28	5.8	0.7	103904646	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (12 Cplx.)	RUN1	DO	pKi= 7.3
29	6.1	2.1	103905424	U159 (100%) + xxx_A_2 QMean=0.489	P1: (8 Cplx.)	RUN0	DO	pKi= 7.3
30	6.0	1.9	103905424	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (4 Cplx.)	RUN2	DO	pKi= 7.3
31	5.2	0.6	103904646	U162 (100%) + xxx_A_2 QMean=0.457	P2: (4 Cplx.)	RUN0	DO	pKi= 7.3
32	5.4	1.2	103904646	3W2S (100%) + W2R_A_2 QMean=0.482	P1: (11 Cplx.)	RUN2	DO	pKi= 7.3
33	5.7	1.6	103905424	1M17 (100%) + AQ4_A_2 QMean=0.462	P1: (6 Cplx.)	RUN1	DO	pKi= 7.3
34	9.6	2.3	103905061	U157 (100%) + xxx_A_2 QMean=0.474	P2: (5 Cplx.)	RUN0	DO	pKi= 7.2
35	8.9	2.2	103905061	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (5 Cplx.)	RUN2	DO	pKi= 7.2
36	7.2	1.2	103904600	4I24 (99%) + 1C9_A_3 QMean=0.490	P2: (4 Cplx.)	RUN2	DO	pKi= 7.2
37	7.6	1.4	103904600	U158 (100%) + xxx_A_2 QMean=0.489	P2: (3 Cplx.)	RUN0	DO	pKi= 7.2
38	9.0	2.4	103905063	U165 (100%) + xxx_A_2 QMean=0.508	P1: (10 Cplx.)	RUN0	DO	pKi= 7.2
39	8.3	2.4	103905061	4JRV (100%) + KJV_A_2 QMean=0.473	P1: (6 Cplx.)	RUN1	DO	pKi= 7.2
40	8.8	2.4	103905063	3POZ (100%) + 03P_A_5 QMean=0.479	P1: (10 Cplx.)	RUN2	DO	pKi= 7.2
41	5.5	2.1	103904600	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (4 Cplx.)	RUN1	DO	pKi= 7.2
42	5.2	0.5	103905123	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (8 Cplx.)	RUN2	DO	pKi= 7.1
43	5.5	0.4	103905123	U162 (100%) + xxx_A_2 QMean=0.457	P1: (6 Cplx.)	RUN0	DO	pKi= 7.1
44	8.4	1.9	103905488	3BEL (100%) + POX_A_4 QMean=0.459	P1: (4 Cplx.)	RUN2	DO	pKi= 7.1
45	6.4	1.8	103904402	4JQ8 (100%) + KJ8_A_2 QMean=0.471	P1: (3 Cplx.)	RUN2	OD	pKi= 7.1
46	8.4	2.5	103904402	3W33 (100%) + W19_A_2 QMean=0.487	P1: (3 Cplx.)	RUN0	DO	pKi= 7.1
47	7.7	1.6	103904591	4JQ7 (100%) + KJQ_A_2 QMean=0.485	P2: (3 Cplx.)	RUN2	OD	pKi= 7.1
48	7.4	2.2	103904402	4JRV (100%) + KJV_A_2 QMean=0.473	P1: (4 Cplx.)	RUN1	DO	pKi= 7.1
49	8.1	2.2	103904591	4AOJ (34%) + V4Z_A_4 QMean=0.472	P3: (3 Cplx.)	RUN0	OD	pKi= 7.1
50	5.7	1.4	103905123	4FYO (42%) + 0VF_A_2 QMean=0.445	P1: (8 Cplx.)	RUN1	DO	pKi= 7.1
51	6.5	2.2	103905488	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (3 Cplx.)	RUN1	DO	pKi= 7.1
52	9.0	2.1	103905488	3PP0 (78%) + 03Q_A_3 QMean=0.500	P2: (4 Cplx.)	RUN0	DO	pKi= 7.1
53	7.7	0.3	103904652	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (10 Cplx.)	RUN2	DO	pKi= 7
54	7.7	0.3	103904652	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (10 Cplx.)	RUN1	DO	pKi= 7
55	8.0	0.4	103904652	2R4B (80%) + GW7_B_4 QMean=0.516	P1: (7 Cplx.)	RUN0	DO	pKi= 7
56	5.8	1.8	103905180	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (12 Cplx.)	RUN2	OD	pKi= 6.9
57	6.2	1.0	103905180	3LZB (99%) + ITI_B_10 QMean=0.501	P1: (19 Cplx.)	RUN0	DO	pKi= 6.9
58	5.8	1.9	103905180	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (7 Cplx.)	RUN1	DO	pKi= 6.9
59	7.9	1.5	103904961	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (8 Cplx.)	RUN1	DO	pKi= 6.8
60	6.0	1.4	103905084	4I24 (99%) + 1C9_B_4 QMean=0.462	P1: (11 Cplx.)	RUN0	DO	pKi= 6.8
61	8.3	1.8	103904961	U159 (100%) + xxx_A_2 QMean=0.489	P1: (6 Cplx.)	RUN0	DO	pKi= 6.8
62	5.9	1.5	103905084	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (14 Cplx.)	RUN1	DO	pKi= 6.8
63	8.0	1.4	103904961	2RGP (100%) + HYZ_A_4 QMean=0.507	P1: (6 Cplx.)	RUN2	DO	pKi= 6.8
64	5.9	1.4	103905084	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (16 Cplx.)	RUN2	DO	pKi= 6.8
65	8.3	1.8	103904796	1XKK (100%) + FMM_A_4 QMean=0.448	P2: (4 Cplx.)	RUN2	DO	pKi= 6.7
66	4.6	1.9	103905209	4FYO (42%) + 0VF_A_2 QMean=0.445	P3: (3 Cplx.)	RUN2	DO	pKi= 6.7
67	7.9	2.1	103904828	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (3 Cplx.)	RUN1	DO	pKi= 6.7
68	9.9	1.2	103904784	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (6 Cplx.)	RUN2	DO	pKi= 6.7
69	9.4	1.7	103904784	3W2S (100%) + W2R_A_2 QMean=0.482	P1: (4 Cplx.)	RUN0	DO	pKi= 6.7
70	6.8	1.6	103904783	4I22 (99%) + IRE_A_2 QMean=0.468	P1: (13 Cplx.)	RUN2	DO	pKi= 6.7
71	7.4	1.9	103905024	4JRV (100%) + KJV_A_2 QMean=0.473	P1: (8 Cplx.)	RUN0	DO	pKi= 6.7
72	7.7	1.8	103905593	3POZ (100%) + 03P_A_5 QMean=0.479	P1: (7 Cplx.)	RUN1	DO	pKi= 6.7
73	7.1	0.9	103905024	4JQ8 (100%) + KJ8_A_2 QMean=0.471	P1: (5 Cplx.)	RUN1	DO	pKi= 6.7
74	6.6	1.6	103905593	4JRV (100%) + KJV_A_2 QMean=0.473	P2: (5 Cplx.)	RUN2	DO	pKi= 6.7
75	7.1	1.8	103904783	U173 (100%) + xxx_A_2 QMean=0.489	P1: (11 Cplx.)	RUN0	DO	pKi= 6.7
76	6.8	1.9	103904828	3BEL (100%) + POX_A_4 QMean=0.459	P2: (3 Cplx.)	RUN2	DO	pKi= 6.7
77	9.3	2.0	103904784	3PP0 (78%) + 03Q_B_4 QMean=0.457	P1: (5 Cplx.)	RUN1	DO	pKi= 6.7
78	6.7	1.6	103904783	4JQ8 (100%) + KJ8_A_2 QMean=0.471	P1: (14 Cplx.)	RUN1	DO	pKi= 6.7
79	7.9	1.6	103905024	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (7 Cplx.)	RUN2	OD	pKi= 6.7
80	8.7	2.0	103904796	3LZB (99%) + ITI_C_11 QMean=0.503	P2: (3 Cplx.)	RUN0	DO	pKi= 6.7
81	8.1	1.8	103904796	3POZ (100%) + 03P_A_5 QMean=0.479	P1: (6 Cplx.)	RUN1	DO	pKi= 6.7
82	6.2	1.5	103904594	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (4 Cplx.)	RUN1	DO	pKi= 6.7
83	6.6	2.2	103904594	4JQ8 (100%) + KJ8_A_2 QMean=0.471	P1: (6 Cplx.)	RUN2	DO	pKi= 6.7
84	7.6	2.5	103905632	4JQ8 (100%) + KJ8_A_2 QMean=0.471	P2: (3 Cplx.)	RUN1	DO	pKi= 6.7
85	7.5	1.7	103904192	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (10 Cplx.)	RUN1	DO	pKi= 6.7
86	6.7	1.7	103905593	3LZB (99%) + ITI_B_10 QMean=0.501	P1: (5 Cplx.)	RUN0	DO	pKi= 6.7
87	6.8	1.6	103904192	3POZ (100%) + 03P_A_5 QMean=0.479	P3: (3 Cplx.)	RUN2	OD	pKi= 6.7
88	6.5	2.2	103904673	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (13 Cplx.)	RUN2	DO	pKi= 6.6
89	6.6	2.4	103904673	4I24 (99%) + 1C9_B_4 QMean=0.462	P1: (14 Cplx.)	RUN0	DO	pKi= 6.6
90	6.3	1.5	103904638	3IKA (99%) + 0UN_A_3 QMean=0.462	P2: (3 Cplx.)	RUN2	DO	pKi= 6.6
91	6.5	2.5	103904673	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (8 Cplx.)	RUN1	DO	pKi= 6.6
92	9.3	2.4	103905429	3PP0 (78%) + 03Q_B_4 QMean=0.457	P2: (4 Cplx.)	RUN1	DO	pKi= 6.6
93	8.3	1.6	103904196	U160 (100%) + xxx_A_2 QMean=0.489	P2: (8 Cplx.)	RUN0	DO	pKi= 6.6
94	8.4	2.3	103905496	U149 (100%) + xxx_A_2 QMean=0.508	P1: (5 Cplx.)	RUN0	DO	pKi= 6.6
95	6.8	2.1	103904638	3W33 (100%) + W19_A_2 QMean=0.487	P1: (3 Cplx.)	RUN1	DO	pKi= 6.6
96	9.9	2.2	103904754	U159 (100%) + xxx_A_2 QMean=0.489	P1: (6 Cplx.)	RUN0	OD	pKi= 6.6
97	7.9	1.5	103904196	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (12 Cplx.)	RUN1	DO	pKi= 6.6
98	8.1	1.5	103904196	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (10 Cplx.)	RUN2	DO	pKi= 6.6
99	7.1	1.8	103904819	3POZ (100%) + 03P_A_5 QMean=0.479	P1: (15 Cplx.)	RUN2	DO	pKi= 6.6
100	7.7	2.0	103905496	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (3 Cplx.)	RUN2	DO	pKi= 6.6
101	6.7	1.8	103905094	4I22 (99%) + IRE_A_2 QMean=0.468	P1: (9 Cplx.)	RUN1	DO	pKi= 6.6
102	7.7	1.9	103904754	4JR3 (100%) + KJR_A_2 QMean=0.479	P1: (3 Cplx.)	RUN1	DO	pKi= 6.6
103	7.1	2.2	103905094	U153 (100%) + xxx_A_2 QMean=0.480	P1: (6 Cplx.)	RUN0	DO	pKi= 6.6
104	9.1	1.8	103904754	3LZB (99%) + ITI_D_12 QMean=0.480	P1: (4 Cplx.)	RUN2	DO	pKi= 6.6
105	6.3	1.3	103904819	4JRV (100%) + KJV_A_2 QMean=0.473	P2: (7 Cplx.)	RUN1	DO	pKi= 6.6
106	7.3	2.0	103905496	4I22 (99%) + IRE_A_2 QMean=0.468	P3: (3 Cplx.)	RUN1	DO	pKi= 6.6
107	7.5	2.0	103904819	U173 (100%) + xxx_A_2 QMean=0.489	P1: (14 Cplx.)	RUN0	DO	pKi= 6.6
108	6.5	2.2	103905094	3PP0 (78%) + 03Q_B_4 QMean=0.457	P2: (6 Cplx.)	RUN2	DO	pKi= 6.6
109	7.7	2.1	103904638	4I24 (99%) + 1C9_B_4 QMean=0.462	P1: (3 Cplx.)	RUN0	DO	pKi= 6.6
110	5.0	1.8	103904958	3POZ (100%) + 03P_A_5 QMean=0.479	P3: (3 Cplx.)	RUN2	DO	pKi= 6.5
111	5.4	0.9	103905085	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (15 Cplx.)	RUN2	DO	pKi= 6.5
112	7.9	2.2	103904314	U172 (100%) + xxx_A_2 QMean=0.489	P1: (10 Cplx.)	RUN0	DO	pKi= 6.5
113	5.4	0.7	103905168	U162 (100%) + xxx_A_2 QMean=0.457	P1: (11 Cplx.)	RUN0	DO	pKi= 6.5
114	8.1	1.5	103904321	4JRV (100%) + KJV_A_2 QMean=0.473	P1: (8 Cplx.)	RUN2	DO	pKi= 6.5
115	6.2	1.9	103905641	4JQ8 (100%) + KJ8_A_2 QMean=0.471	P1: (15 Cplx.)	RUN1	DO	pKi= 6.5
116	6.0	1.6	103904593	4I24 (99%) + 1C9_A_3 QMean=0.490	P3: (4 Cplx.)	RUN1	DO	pKi= 6.5
117	5.6	0.8	103905085	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (16 Cplx.)	RUN1	DO	pKi= 6.5
118	7.1	2.4	103905641	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (13 Cplx.)	RUN2	DO	pKi= 6.5
119	5.6	0.8	103905168	3PP0 (78%) + 03Q_B_4 QMean=0.457	P1: (15 Cplx.)	RUN1	DO	pKi= 6.5
120	5.9	2.1	103905085	4FYO (42%) + 0VF_A_2 QMean=0.445	P1: (13 Cplx.)	RUN0	DO	pKi= 6.5
121	7.6	2.0	103904314	3LZB (99%) + ITI_D_12 QMean=0.480	P2: (3 Cplx.)	RUN2	DO	pKi= 6.5
122	5.4	1.0	103905168	3PP0 (78%) + 03Q_B_4 QMean=0.457	P1: (14 Cplx.)	RUN2	DO	pKi= 6.5
123	6.2	2.5	103905443	3PP0 (78%) + 03Q_B_4 QMean=0.457	P1: (12 Cplx.)	RUN1	DO	pKi= 6.5
124	6.5	2.1	103905055	3BEL (100%) + POX_A_4 QMean=0.459	P1: (8 Cplx.)	RUN0	DO	pKi= 6.4
125	6.6	0.8	103905215	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (5 Cplx.)	RUN1	DO	pKi= 6.4
126	6.7	1.6	103904604	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (7 Cplx.)	RUN2	DO	pKi= 6.4
127	5.7	1.7	103904604	1M17 (100%) + AQ4_A_2 QMean=0.462	P2: (4 Cplx.)	RUN1	DO	pKi= 6.4
128	7.5	1.4	103904596	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (3 Cplx.)	RUN2	DO	pKi= 6.4
129	7.2	2.0	103904195	U160 (100%) + xxx_A_2 QMean=0.489	P2: (4 Cplx.)	RUN0	DO	pKi= 6.4
130	7.4	1.8	103905608	2ITT (99%) + AEE_A_2 QMean=0.438	P1: (5 Cplx.)	RUN0	DO	pKi= 6.4
131	7.3	1.6	103904195	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (8 Cplx.)	RUN1	DO	pKi= 6.4
132	8.6	2.2	103905250	3PP0 (78%) + 03Q_B_4 QMean=0.457	P1: (7 Cplx.)	RUN0	DO	pKi= 6.4
133	7.0	1.6	103904596	3IKA (99%) + 0UN_A_3 QMean=0.462	P2: (3 Cplx.)	RUN1	DO	pKi= 6.4
134	6.3	1.0	103905259	1XKK (100%) + FMM_A_4 QMean=0.448	P2: (4 Cplx.)	RUN2	DO	pKi= 6.4
135	6.4	2.1	103905259	U154 (100%) + xxx_A_2 QMean=0.474	P2: (4 Cplx.)	RUN0	DO	pKi= 6.4
136	7.4	1.6	103904195	3PP0 (78%) + 03Q_B_4 QMean=0.457	P1: (10 Cplx.)	RUN2	DO	pKi= 6.4
137	8.3	1.8	103905215	U149 (100%) + xxx_A_2 QMean=0.508	P1: (6 Cplx.)	RUN0	DO	pKi= 6.4
138	5.7	2.1	103905608	2RGP (100%) + HYZ_A_4 QMean=0.507	P1: (9 Cplx.)	RUN1	DO	pKi= 6.4
139	6.5	1.8	103905055	4JRV (100%) + KJV_A_2 QMean=0.473	P1: (7 Cplx.)	RUN2	DO	pKi= 6.4
140	6.4	1.9	103905055	4JRV (100%) + KJV_A_2 QMean=0.473	P2: (6 Cplx.)	RUN1	DO	pKi= 6.4
141	7.8	2.0	103904355	3LZB (99%) + ITI_D_12 QMean=0.480	P1: (3 Cplx.)	RUN2	DO	pKi= 6.4
142	8.5	2.2	103905250	3PP0 (78%) + 03Q_B_4 QMean=0.457	P2: (3 Cplx.)	RUN2	DO	pKi= 6.4
143	8.1	1.7	103905250	3IKA (99%) + 0UN_A_3 QMean=0.462	P3: (3 Cplx.)	RUN1	DO	pKi= 6.4
144	6.9	2.0	103904451	3LZB (99%) + ITI_D_12 QMean=0.480	P1: (3 Cplx.)	RUN1	DO	pKi= 6.4
145	7.9	2.2	103904596	4I24 (99%) + 1C9_B_4 QMean=0.462	P3: (3 Cplx.)	RUN0	DO	pKi= 6.4
146	6.3	1.0	103905259	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (5 Cplx.)	RUN1	DO	pKi= 6.4
147	7.5	2.4	103904451	4I24 (99%) + 1C9_A_3 QMean=0.490	P2: (3 Cplx.)	RUN2	DO	pKi= 6.4
148	7.7	1.0	103905215	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (5 Cplx.)	RUN2	OD	pKi= 6.4
149	6.5	1.6	103905608	3IKA (99%) + 0UN_A_3 QMean=0.462	P2: (3 Cplx.)	RUN2	DO	pKi= 6.4
150	10.0	2.0	103905345	U149 (100%) + xxx_A_2 QMean=0.508	P1: (3 Cplx.)	RUN0	DO	pKi= 6.3
151	8.0	2.2	103904272	4I24 (99%) + 1C9_A_3 QMean=0.490	P3: (3 Cplx.)	RUN2	DO	pKi= 6.3
152	8.8	2.1	103905345	3W33 (100%) + W19_A_2 QMean=0.487	P1: (3 Cplx.)	RUN1	DO	pKi= 6.3
153	9.5	2.1	103904785	3PP0 (78%) + 03Q_B_4 QMean=0.457	P1: (8 Cplx.)	RUN1	DO	pKi= 6.3
154	9.9	1.4	103904785	3PP0 (78%) + 03Q_B_4 QMean=0.457	P2: (3 Cplx.)	RUN2	DO	pKi= 6.3
155	9.6	1.7	103905345	2R4B (80%) + GW7_A_3 QMean=0.520	P2: (3 Cplx.)	RUN2	DO	pKi= 6.3
156	7.5	2.3	103904349	U172 (100%) + xxx_A_2 QMean=0.489	P2: (4 Cplx.)	RUN0	DO	pKi= 6.3
157	7.8	2.3	103904272	3POZ (100%) + 03P_A_5 QMean=0.479	P1: (3 Cplx.)	RUN1	DO	pKi= 6.3
158	6.2	2.3	103904912	4I24 (99%) + 1C9_A_3 QMean=0.490	P3: (3 Cplx.)	RUN2	DO	pKi= 6.3
159	6.8	2.0	103904912	U165 (100%) + xxx_A_2 QMean=0.508	P1: (7 Cplx.)	RUN0	DO	pKi= 6.3
160	9.7	1.5	103904785	3POZ (100%) + 03P_A_5 QMean=0.479	P1: (5 Cplx.)	RUN0	DO	pKi= 6.3
161	5.3	2.2	103904308	4JRV (100%) + KJV_A_2 QMean=0.473	P2: (3 Cplx.)	RUN1	DO	pKi= 6.3
162	5.9	1.8	103904912	4JQ7 (100%) + KJQ_A_2 QMean=0.485	P1: (8 Cplx.)	RUN1	DO	pKi= 6.3
163	9.3	2.2	103904711	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (6 Cplx.)	RUN1	DO	pKi= 6.3
164	8.2	2.3	103904308	U173 (100%) + xxx_A_2 QMean=0.489	P2: (7 Cplx.)	RUN0	DO	pKi= 6.3
165	6.2	1.2	103904201	4JRV (100%) + KJV_A_2 QMean=0.473	P2: (5 Cplx.)	RUN2	DO	pKi= 6.2
166	6.3	1.7	103904201	4JRV (100%) + KJV_A_2 QMean=0.473	P3: (4 Cplx.)	RUN0	DO	pKi= 6.2
167	6.6	2.4	103904216	3LZB (99%) + ITI_D_12 QMean=0.480	P2: (3 Cplx.)	RUN2	DO	pKi= 6.2
168	8.5	1.6	103904603	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (5 Cplx.)	RUN2	DO	pKi= 6.2
169	6.4	1.1	103904201	4JRV (100%) + KJV_A_2 QMean=0.473	P2: (5 Cplx.)	RUN1	DO	pKi= 6.2
170	8.4	1.9	103905562	U154 (100%) + xxx_A_2 QMean=0.474	P1: (7 Cplx.)	RUN0	DO	pKi= 6.2
171	6.2	2.3	103904965	U153 (100%) + xxx_A_2 QMean=0.480	P2: (6 Cplx.)	RUN0	DO	pKi= 6.2
172	6.9	1.6	103904216	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (3 Cplx.)	RUN1	OD	pKi= 6.2
173	6.0	2.3	103904965	4JQ8 (100%) + KJ8_A_2 QMean=0.471	P2: (4 Cplx.)	RUN2	DO	pKi= 6.2
174	7.4	1.6	103905562	4JRV (100%) + KJV_A_2 QMean=0.473	P1: (6 Cplx.)	RUN1	DO	pKi= 6.2
175	6.9	2.3	103904965	3W32 (100%) + W32_A_2 QMean=0.498	P1: (6 Cplx.)	RUN1	DO	pKi= 6.2
176	7.3	1.4	103904603	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (3 Cplx.)	RUN1	DO	pKi= 6.2
177	8.2	1.6	103905562	4JRV (100%) + KJV_A_2 QMean=0.473	P2: (3 Cplx.)	RUN2	DO	pKi= 6.2
178	8.4	2.5	103904313	U164 (100%) + xxx_A_2 QMean=0.489	P1: (10 Cplx.)	RUN0	DO	pKi= 6.1
179	6.6	1.9	103904204	U159 (100%) + xxx_A_2 QMean=0.489	P3: (3 Cplx.)	RUN0	OD	pKi= 6.1
180	8.1	1.6	103904787	3LZB (99%) + ITI_D_12 QMean=0.480	P2: (3 Cplx.)	RUN1	DO	pKi= 6.1
181	6.3	2.3	103904193	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (4 Cplx.)	RUN2	DO	pKi= 6.1
182	9.3	2.2	103905068	U165 (100%) + xxx_A_2 QMean=0.508	P1: (10 Cplx.)	RUN0	DO	pKi= 6.1
183	6.1	2.4	103904189	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (5 Cplx.)	RUN2	DO	pKi= 6.1
184	8.5	2.0	103905069	U153 (100%) + xxx_A_2 QMean=0.480	P1: (10 Cplx.)	RUN0	DO	pKi= 6.1
185	6.8	2.3	103904712	4FYO (42%) + 0VF_A_2 QMean=0.445	P3: (4 Cplx.)	RUN1	DO	pKi= 6.1
186	7.8	2.0	103904313	3W33 (100%) + W19_A_2 QMean=0.487	P1: (4 Cplx.)	RUN2	DO	pKi= 6.1
187	8.5	2.1	103905069	4JQ8 (100%) + KJ8_A_2 QMean=0.471	P1: (9 Cplx.)	RUN2	DO	pKi= 6.1
188	7.9	1.6	103904788	3W32 (100%) + W32_A_2 QMean=0.498	P2: (3 Cplx.)	RUN2	DO	pKi= 6.1
189	8.2	2.3	103904712	U170 (100%) + xxx_A_2 QMean=0.489	P2: (4 Cplx.)	RUN0	DO	pKi= 6.1
190	6.6	1.6	103904204	4I24 (99%) + 1C9_A_3 QMean=0.490	P2: (3 Cplx.)	RUN2	OD	pKi= 6.1
191	8.5	2.2	103905068	3POZ (100%) + 03P_A_5 QMean=0.479	P1: (11 Cplx.)	RUN2	DO	pKi= 6.1
192	7.7	2.4	103904189	U161 (100%) + xxx_A_2 QMean=0.510	P3: (3 Cplx.)	RUN0	OD	pKi= 6.1
193	6.9	2.1	103904189	4I24 (99%) + 1C9_A_3 QMean=0.490	P3: (3 Cplx.)	RUN1	OD	pKi= 6.1
194	8.4	2.3	103904712	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (3 Cplx.)	RUN2	DO	pKi= 6.1
195	7.1	1.5	103905068	4JQ7 (100%) + KJQ_A_2 QMean=0.485	P2: (3 Cplx.)	RUN1	DO	pKi= 6.1
196	7.0	1.6	103904204	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (8 Cplx.)	RUN1	OD	pKi= 6.1
197	8.0	2.4	103904787	U170 (100%) + xxx_A_2 QMean=0.489	P1: (4 Cplx.)	RUN0	DO	pKi= 6.1
198	7.6	2.4	103904288	U165 (100%) + xxx_A_2 QMean=0.508	P2: (4 Cplx.)	RUN0	DO	pKi= 6
199	7.6	1.9	103904194	4I24 (99%) + 1C9_A_3 QMean=0.490	P2: (5 Cplx.)	RUN1	DO	pKi= 6
200	7.1	1.1	103904194	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (6 Cplx.)	RUN2	DO	pKi= 6
201	4.7	1.6	103904403	4I22 (99%) + IRE_A_2 QMean=0.468	P4: (3 Cplx.)	RUN1	DO	pKi= 6
202	6.9	2.4	103904288	3BEL (100%) + POX_A_4 QMean=0.459	P1: (3 Cplx.)	RUN1	DO	pKi= 6
203	6.7	1.5	103904403	3LZB (99%) + ITI_C_11 QMean=0.503	P1: (6 Cplx.)	RUN0	DO	pKi= 6
204	6.4	2.1	103904403	3BEL (100%) + POX_A_4 QMean=0.459	P2: (5 Cplx.)	RUN2	DO	pKi= 6
205	7.8	1.6	103904194	U160 (100%) + xxx_A_2 QMean=0.489	P1: (12 Cplx.)	RUN0	DO	pKi= 6
206	6.1	1.5	103904211	4G5J (100%) + 0WN_A_2 QMean=0.472	P1: (11 Cplx.)	RUN2	DO	pKi= 6
207	6.0	1.3	103904211	3POZ (100%) + 03P_A_5 QMean=0.479	P3: (3 Cplx.)	RUN0	DO	pKi= 6
208	6.9	1.3	103904211	3BEL (100%) + POX_A_4 QMean=0.459	P1: (7 Cplx.)	RUN1	DO	pKi= 6
209	6.8	1.3	103905577	3LZB (99%) + ITI_D_12 QMean=0.480	P2: (3 Cplx.)	RUN1	DO	pKi= 5.9
210	5.6	1.8	103904292	4FYO (42%) + 0VF_A_2 QMean=0.445	P1: (3 Cplx.)	RUN1	DO	pKi= 5.9
211	7.7	2.2	103905067	4JQ7 (100%) + KJQ_A_2 QMean=0.485	P1: (4 Cplx.)	RUN2	DO	pKi= 5.9
212	7.3	2.1	103904309	3LZB (99%) + ITI_D_12 QMean=0.480	P1: (4 Cplx.)	RUN1	DO	pKi= 5.9
213	7.2	2.1	103904309	4I22 (99%) + IRE_A_2 QMean=0.468	P1: (4 Cplx.)	RUN2	DO	pKi= 5.9
214	8.4	2.2	103905251	U158 (100%) + xxx_A_2 QMean=0.489	P1: (6 Cplx.)	RUN0	DO	pKi= 5.9
215	6.1	2.4	103904292	4FYO (42%) + 0VF_A_2 QMean=0.445	P1: (3 Cplx.)	RUN2	DO	pKi= 5.9
216	7.7	2.1	103905067	4JQ7 (100%) + KJQ_A_2 QMean=0.485	P1: (5 Cplx.)	RUN1	DO	pKi= 5.9
217	8.6	2.4	103905064	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (6 Cplx.)	RUN1	DO	pKi= 5.9
218	6.6	2.3	103905577	4I22 (99%) + IRE_A_2 QMean=0.468	P2: (3 Cplx.)	RUN2	DO	pKi= 5.9
219	7.2	1.9	103905056	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (6 Cplx.)	RUN1	DO	pKi= 5.9
220	7.8	1.3	103905251	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (7 Cplx.)	RUN1	DO	pKi= 5.9
221	7.7	2.2	103904309	U172 (100%) + xxx_A_2 QMean=0.489	P2: (5 Cplx.)	RUN0	DO	pKi= 5.9
222	8.4	2.1	103905251	4JQ8 (100%) + KJ8_A_2 QMean=0.471	P1: (6 Cplx.)	RUN2	DO	pKi= 5.9
223	8.6	1.8	103905067	U153 (100%) + xxx_A_2 QMean=0.480	P3: (3 Cplx.)	RUN0	DO	pKi= 5.9
224	8.5	2.1	103904725	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (3 Cplx.)	RUN2	DO	pKi= 5.9
225	6.9	2.0	103905056	4I22 (99%) + IRE_A_2 QMean=0.468	P2: (4 Cplx.)	RUN2	DO	pKi= 5.9
226	7.3	2.2	103905482	U164 (100%) + xxx_A_2 QMean=0.489	P1: (9 Cplx.)	RUN0	DO	pKi= 5.8
227	7.3	1.7	103905627	4JR3 (100%) + KJR_A_2 QMean=0.479	P1: (3 Cplx.)	RUN1	DO	pKi= 5.8
228	6.9	1.4	103904214	4I24 (99%) + 1C9_A_3 QMean=0.490	P2: (8 Cplx.)	RUN1	DO	pKi= 5.8
229	9.0	1.2	103904779	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (6 Cplx.)	RUN2	DO	pKi= 5.8
230	6.6	0.8	103904214	U160 (100%) + xxx_A_2 QMean=0.489	P1: (16 Cplx.)	RUN0	DO	pKi= 5.8
231	7.4	1.5	103905444	4JRV (100%) + KJV_A_2 QMean=0.473	P1: (5 Cplx.)	RUN1	DO	pKi= 5.8
232	8.6	2.5	103905445	U167 (100%) + xxx_A_2 QMean=0.480	P1: (7 Cplx.)	RUN0	DO	pKi= 5.8
233	9.3	1.7	103904779	U165 (100%) + xxx_A_2 QMean=0.508	P2: (3 Cplx.)	RUN0	DO	pKi= 5.8
234	7.3	1.4	103905445	4JQ7 (100%) + KJQ_A_2 QMean=0.485	P1: (4 Cplx.)	RUN2	DO	pKi= 5.8
235	8.4	1.9	103904752	3POZ (100%) + 03P_A_5 QMean=0.479	P1: (6 Cplx.)	RUN1	DO	pKi= 5.8
236	7.2	2.1	103904310	3LZB (99%) + ITI_D_12 QMean=0.480	P2: (3 Cplx.)	RUN1	DO	pKi= 5.8
237	6.6	1.5	103904214	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (15 Cplx.)	RUN2	DO	pKi= 5.8
238	7.6	1.7	103905648	4I24 (99%) + 1C9_A_3 QMean=0.490	P2: (3 Cplx.)	RUN1	DO	pKi= 5.8
239	7.0	1.8	103905607	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (8 Cplx.)	RUN1	DO	pKi= 5.8
240	7.9	1.1	103904779	4JRV (100%) + KJV_A_2 QMean=0.473	P3: (4 Cplx.)	RUN1	OD	pKi= 5.8
241	8.7	2.4	103905444	U153 (100%) + xxx_A_2 QMean=0.480	P1: (8 Cplx.)	RUN0	OD	pKi= 5.8
242	7.2	2.2	103904310	3W33 (100%) + W19_A_2 QMean=0.487	P1: (5 Cplx.)	RUN2	DO	pKi= 5.8
243	7.2	1.7	103905444	4JQ7 (100%) + KJQ_A_2 QMean=0.485	P2: (3 Cplx.)	RUN2	DO	pKi= 5.8
244	7.6	1.7	103905648	1XKK (100%) + FMM_A_4 QMean=0.448	P1: (6 Cplx.)	RUN2	DO	pKi= 5.8
245	6.6	1.7	103905482	4JRV (100%) + KJV_A_2 QMean=0.473	P2: (5 Cplx.)	RUN1	DO	pKi= 5.8
246	7.5	2.4	103905482	2R4B (80%) + GW7_A_3 QMean=0.520	P1: (11 Cplx.)	RUN2	DO	pKi= 5.8
247	8.9	2.5	103904752	2R4B (80%) + GW7_A_3 QMean=0.520	P2: (3 Cplx.)	RUN0	DO	pKi= 5.8
248	7.4	1.5	103905445	4JRV (100%) + KJV_A_2 QMean=0.473	P3: (3 Cplx.)	RUN1	DO	pKi= 5.8
249	8.4	1.9	103904752	3PP0 (78%) + 03Q_B_4 QMean=0.457	P2: (3 Cplx.)	RUN2	DO	pKi= 5.8
250	7.2	1.4	103904213	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (8 Cplx.)	RUN2	DO	pKi= 5.7
251	6.9	1.4	103904213	4I24 (99%) + 1C9_A_3 QMean=0.490	P1: (7 Cplx.)	RUN1	DO	pKi= 5.7
252	8.0	1.9	103904213	3LZB (99%) + ITI_C_11 QMean=0.503	P1: (8 Cplx.)	RUN0	DO	pKi= 5.7
253	6.6	1.9	4RJ8_3QS	U160 (100%) + xxx_A_2 QMean=0.489	P2: (4 Cplx.)	VALID2	DO	-= -
254	6.1	1.2	4LL0_YUN	U163 (100%) + xxx_A_2 QMean=0.489	P1: (9 Cplx.)	VALID2	DO	-= -
255	7.9	1.7	4RJ6_3R0	U160 (100%) + xxx_A_2 QMean=0.489	P2: (4 Cplx.)	VALID2	OD	-= -
256	7.5	1.7	4RJ4_3QW	U166 (100%) + xxx_A_2 QMean=0.462	P3: (4 Cplx.)	VALID2	DO	-= -
257	6.7	2.2	4RIW_ADP	3POZ (100%) + 03P_A_5 QMean=0.479	P1: (4 Cplx.)	VALID2	DO	-= -
258	7.1	1.7	4LQM_DJK	4I24 (99%) + 1C9_B_4 QMean=0.462	P1: (12 Cplx.)	VALID0	DO	-= -
259	6.4	2.2	4RIW_ANP	3GT8 (99%) + ANP_C_10 QMean=0.465	P1: (3 Cplx.)	VALID2	OD	-= -
260	6.5	2.1	4LI5_1WY	U158 (100%) + xxx_A_2 QMean=0.489	P3: (3 Cplx.)	VALID2	DO	-= -
261	7.5	2.0	4RJ5_3QY	4FYO (42%) + 0VF_A_2 QMean=0.445	P2: (6 Cplx.)	VALID0	OD	-= -
262	6.7	1.4	4WKQ_IRE	4I22 (99%) + IRE_A_2 QMean=0.468	P1: (4 Cplx.)	VALID0	DO	-= -
263	6.3	2.4	4RJ4_3QW	3BEL (100%) + POX_A_4 QMean=0.459	P2: (3 Cplx.)	VALID0	DO	-= -
264	6.3	0.9	4LQM_DJK	4I24 (99%) + 1C9_B_4 QMean=0.462	P1: (12 Cplx.)	VALID2	DO	-= -
265	7.3	1.6	4RJ5_3QY	U158 (100%) + xxx_A_2 QMean=0.489	P1: (6 Cplx.)	VALID2	DO	-= -
266	6.7	1.4	4LL0_YUN	4I24 (99%) + 1C9_B_4 QMean=0.462	P1: (8 Cplx.)	VALID0	DO	-= -
267	7.7	2.4	4LI5_1WY	U160 (100%) + xxx_A_2 QMean=0.489	P2: (3 Cplx.)	VALID0	DO	-= -
268	8.3	2.3	4RJ7_3R1	U159 (100%) + xxx_A_2 QMean=0.489	P1: (5 Cplx.)	VALID0	DO	-= -
269	6.7	1.9	4WKQ_IRE	U170 (100%) + xxx_A_2 QMean=0.489	P1: (9 Cplx.)	VALID2	DO	-= -
270	6.9	2.1	4RJ8_3QS	4I22 (99%) + IRE_A_2 QMean=0.468	P1: (4 Cplx.)	VALID0	DO	-= -
271	7.7	2.4	4RJ7_3R1	U159 (100%) + xxx_A_2 QMean=0.489	P1: (6 Cplx.)	VALID2	DO	-= -

Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.07