Screening Results : Docking based on all models from entry : EPHA2_HUMAN




Display Selection :
Study : Show results: Values:




Color code: [ Good | Correct | Uncertain | Dubius ] - pKd: [ ‹nMol | ‹μMol | ‹mMol | ›mMol]

Complex support
[Template (Ident) + Anchor]
Model Quality (QMean)
Position of Lig. Study Measure
1 5.7 0.11039046112X9F (67%) + X9F_A_2
QMean=0.600
P2: (5 Cplx.) RUN2 pKi= 5.3
2 5.8 0.41039046112VWY (67%) + 7X5_A_2
QMean=0.625
P1: (5 Cplx.) RUN0 pKi= 5.3
3 6.3 0.51039045932VWY (67%) + 7X5_A_2
QMean=0.625
P2: (3 Cplx.) RUN2 pKi= 6.2
4 7.6 0.51039055432Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (3 Cplx.) RUN1 pKi= 8.4
5 5.9 0.61039045942X9F (67%) + X9F_A_2
QMean=0.600
P1: (7 Cplx.) RUN2 pKi= 6.5
6 6.2 0.61039046042VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (7 Cplx.) RUN2 pKi= 6.6
7 5.6 0.61039046042VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (5 Cplx.) RUN1 pKi= 6.6
8 5.3 0.61039046112VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (12 Cplx.) RUN1 pKi= 5.3
9 5.8 0.71039045942VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (7 Cplx.) RUN1 pKi= 6.5
10 7.7 1.01039055313CBL (41%) + STU_A_3
QMean=0.522
P3: (3 Cplx.) RUN2 pKi= 6.6
11 5.8 1.01039045932X9F (67%) + X9F_A_2
QMean=0.600
P1: (5 Cplx.) RUN1 pKi= 6.2
12 7.4 1.11039052512X9F (67%) + X9F_A_2
QMean=0.600
P2: (3 Cplx.) RUN1 pKi= 6.7
13 8.1 1.11039042852C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN2 pKi= 6.3
14 8.3 1.11039055433BYU (43%) + AM6_A_2
QMean=0.439
P2: (4 Cplx.) RUN2 pKi= 8.4
15 6.8 1.11039042752C0O (42%) + L2G_A_3
QMean=0.469
P1: (6 Cplx.) RUN1 pKi= 6.6
16 7.1 1.11039055313CBL (41%) + STU_A_3
QMean=0.522
P3: (3 Cplx.) RUN1 pKi= 6.6
17 6.9 1.11039042762C0O (42%) + L2G_A_3
QMean=0.469
P1: (5 Cplx.) RUN1 pKi= 7
18 9.1 1.11039042802C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN1 pKi= 7
19 7.4 1.21039043622C0O (42%) + L2G_A_3
QMean=0.469
P1: (8 Cplx.) RUN2 pKi= 6.8
20 8.4 1.21039042802C0I (42%) + L1G_A_3
QMean=0.476
P1: (8 Cplx.) RUN2 pKi= 7
21 9.0 1.21039043542C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN2 pKi= 7.8
22 8.4 1.21039043152C0O (42%) + L2G_A_3
QMean=0.469
P1: (6 Cplx.) RUN2 pKi= 7.1
23 7.6 1.21039042752C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN2 pKi= 6.6
24 7.1 1.21039043602C0O (42%) + L2G_A_3
QMean=0.469
P1: (5 Cplx.) RUN2 pKi= 6.6
25 8.6 1.21039043222C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN2 pKi= 7
26 6.4 1.21039055582X9F (67%) + X9F_A_2
QMean=0.600
P2: (4 Cplx.) RUN1 pKi= 5.6
27 7.9 1.21039043392C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN2 pKi= 6.1
28 8.1 1.21039042852C0O (42%) + L2G_A_3
QMean=0.469
P2: (3 Cplx.) RUN0 pKi= 6.3
29 5.4 1.31039050554BB4 (67%) + 32W_A_2
QMean=0.588
P3: (3 Cplx.) RUN1 pKi= 5.8
30 8.4 1.31039043672OFV (43%) + 242_D_4
QMean=0.407
P1: (3 Cplx.) RUN1 pKi= 7.1
31 7.7 1.31039043102C0T (42%) + L3G_A_3
QMean=0.454
P1: (4 Cplx.) RUN2 pKi= 7.7
32 9.7 1.31039047842C0T (42%) + L3G_A_3
QMean=0.454
P1: (4 Cplx.) RUN2 pKi= 7.5
33 8.0 1.31039052512X9F (67%) + X9F_A_2
QMean=0.600
P2: (3 Cplx.) RUN2 pKi= 6.7
34 7.6 1.31039045912Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (5 Cplx.) RUN1 pKi= 8.2
35 7.9 1.31039043142C0O (42%) + L2G_A_3
QMean=0.469
P1: (8 Cplx.) RUN2 pKi= 6.6
36 8.6 1.31039042792C0O (42%) + L2G_A_3
QMean=0.469
P1: (6 Cplx.) RUN1 pKi= 7.3
37 8.4 1.31039043103B2W (43%) + 9NH_A_2
QMean=0.455
P1: (5 Cplx.) RUN1 pKi= 7.7
38 7.6 1.31039042764DGG (43%) + I76_B_4
QMean=0.475
P1: (8 Cplx.) RUN2 pKi= 7
39 9.1 1.31039043022C0T (42%) + L3G_A_3
QMean=0.454
P1: (9 Cplx.) RUN1 pKi= 6.5
40 9.1 1.31039043192C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN1 pKi= 6.5
41 9.3 1.31039047852C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN2 pKi= 7
42 7.5 1.41039043652C0O (42%) + L2G_A_3
QMean=0.469
P1: (8 Cplx.) RUN2 pKi= 5.8
43 6.7 1.41039045912VWX (67%) + 7X4_A_2
QMean=0.605
P1: (5 Cplx.) RUN2 pKi= 8.2
44 7.4 1.41039043392C0I (42%) + L1G_A_3
QMean=0.476
P1: (9 Cplx.) RUN1 pKi= 6.1
45 8.1 1.41039042772C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN1 pKi= 7.4
46 8.6 1.41039043542C0I (42%) + L1G_A_3
QMean=0.476
P1: (6 Cplx.) RUN1 pKi= 7.8
47 7.0 1.41039042952C0O (42%) + L2G_A_3
QMean=0.469
P1: (6 Cplx.) RUN1 pKi= 6.1
48 7.5 1.41039055432VWX (67%) + 7X4_A_2
QMean=0.605
P2: (3 Cplx.) RUN0 pKi= 8.4
49 7.7 1.41039043402C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN1 pKi= 5.6
50 7.8 1.41039043712OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN1 pKi= 6.3
51 7.7 1.41039043352C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN2 pKi= 6.4
52 9.2 1.41039043132C0O (42%) + L2G_A_3
QMean=0.469
P1: (5 Cplx.) RUN0 pKi= 7.7
53 7.4 1.41039043592C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN2 pKi= 6.4
54 8.1 1.41039043612C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN2 pKi= 7.7
55 9.2 1.41039047852C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN1 pKi= 7
56 8.7 1.41039043082C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 7.2
57 8.5 1.41039043082C0O (42%) + L2G_A_3
QMean=0.469
P1: (5 Cplx.) RUN0 pKi= 7.2
58 8.6 1.41039043172C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN2 pKi= 6.1
59 9.1 1.41039047842C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN1 pKi= 7.5
60 9.0 1.41039042812C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN2 pKi= 7.1
61 9.6 1.41039042812C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN0 pKi= 7.1
62 8.6 1.41039043002C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 6.7
63 6.2 1.41039044032X9F (67%) + X9F_A_2
QMean=0.600
P1: (9 Cplx.) RUN2 pKi= 6.6
64 8.0 1.41039043302C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN2 pKi= 6.8
65 7.1 1.41039045962X9F (67%) + X9F_A_2
QMean=0.600
P1: (5 Cplx.) RUN1 pKi= 5.9
66 8.9 1.41039042812C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN1 pKi= 7.1
67 7.1 1.41039042783VRZ (42%) + VRZ_B_8
QMean=0.470
P3: (3 Cplx.) RUN1 pKi= 6.7
68 5.8 1.51039050552X9F (67%) + X9F_A_2
QMean=0.600
P2: (3 Cplx.) RUN0 pKi= 5.8
69 8.6 1.51039043422C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN0 pKi= 6.2
70 8.5 1.51039043174DGG (43%) + I76_B_4
QMean=0.475
P1: (5 Cplx.) RUN0 pKi= 6.1
71 8.7 1.51039042792C0O (42%) + L2G_A_3
QMean=0.469
P1: (4 Cplx.) RUN2 pKi= 7.3
72 9.0 1.51039043072C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN1 pKi= 6.9
73 7.4 1.51039047412C0T (42%) + L3G_A_3
QMean=0.454
P2: (3 Cplx.) RUN2 pKi= 7.7
74 9.7 1.51039043203VS0 (42%) + VS0_A_5
QMean=0.431
P1: (5 Cplx.) RUN2 pKi= 7.7
75 8.4 1.51039043133VS0 (42%) + VS0_A_5
QMean=0.431
P1: (9 Cplx.) RUN2 pKi= 7.7
76 7.8 1.51039042942C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN2 pKi= 7.1
77 8.6 1.51039043162C0I (42%) + L1G_A_3
QMean=0.476
P1: (8 Cplx.) RUN2 pKi= 6.9
78 8.4 1.51039043344DGG (43%) + I76_B_4
QMean=0.475
P1: (9 Cplx.) RUN2 pKi= 5.9
79 7.4 1.51039043382C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN1 pKi= 6.2
80 6.7 1.51039050953VRY (42%) + B43_B_7
QMean=0.453
P1: (16 Cplx.) RUN2 pKi= 7.7
81 7.9 1.51039056323BYU (43%) + AM6_A_2
QMean=0.439
P3: (3 Cplx.) RUN1 pKi= 7.5
82 7.7 1.51039043463B2W (43%) + 9NH_A_2
QMean=0.455
P1: (7 Cplx.) RUN1 pKi= 7
83 8.8 1.51039042772C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN2 pKi= 7.4
84 8.1 1.51039043713DKO (69%) + IHZ_A_2
QMean=0.590
P1: (7 Cplx.) RUN2 pKi= 6.3
85 5.6 1.51039044032VWX (67%) + 7X4_A_2
QMean=0.605
P1: (6 Cplx.) RUN1 pKi= 6.6
86 7.9 1.51039043073VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (7 Cplx.) RUN2 pKi= 6.9
87 8.8 1.51039043032C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 6.8
88 6.7 1.51039043653VS1 (42%) + VSA_A_5
QMean=0.453
P1: (9 Cplx.) RUN1 pKi= 5.8
89 8.1 1.51039042962C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN2 pKi= 6.5
90 8.6 1.51039043344DGG (43%) + I76_B_4
QMean=0.475
P1: (4 Cplx.) RUN0 pKi= 5.9
91 7.6 1.51039042942C0O (42%) + L2G_A_3
QMean=0.469
P1: (5 Cplx.) RUN1 pKi= 7.1
92 6.4 1.51039052152VWZ (67%) + 7X6_A_2
QMean=0.630
P3: (3 Cplx.) RUN2 pKi= 6.9
93 8.1 1.51039043422C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN2 pKi= 6.2
94 7.7 1.51039042952C0T (42%) + L3G_A_3
QMean=0.454
P2: (4 Cplx.) RUN2 pKi= 6.1
95 9.0 1.61039042932C0I (42%) + L1G_A_3
QMean=0.476
P1: (3 Cplx.) RUN2 pKi= 5.8
96 7.2 1.61039043482C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN2 pKi= 7.5
97 9.8 1.61039043042C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN1 pKi= 7
98 7.8 1.61039047412OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN1 pKi= 7.7
99 7.7 1.61039043623VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (4 Cplx.) RUN1 pKi= 6.8
100 8.7 1.61039043162C0I (42%) + L1G_A_3
QMean=0.476
P1: (7 Cplx.) RUN0 pKi= 6.9
101 8.3 1.61039043174DGG (43%) + I76_B_4
QMean=0.475
P1: (5 Cplx.) RUN1 pKi= 6.1
102 6.3 1.61039044032VWY (67%) + 7X5_A_2
QMean=0.625
P1: (8 Cplx.) RUN0 pKi= 6.6
103 7.9 1.61039055313CBL (41%) + STU_A_3
QMean=0.522
P3: (3 Cplx.) RUN0 pKi= 6.6
104 7.5 1.61039043093VS0 (42%) + VS0_A_5
QMean=0.431
P1: (7 Cplx.) RUN2 pKi= 8
105 9.3 1.61039042902C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN2 pKi= 5.7
106 6.9 1.61039055252C0T (42%) + L3G_A_3
QMean=0.454
P2: (4 Cplx.) RUN1 pKi= 7.9
107 9.4 1.61039043202C0T (42%) + L3G_A_3
QMean=0.454
P3: (3 Cplx.) RUN1 pKi= 7.7
108 8.3 1.61039046503VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (4 Cplx.) RUN2 pKi= 5.9
109 6.5 1.61039055862HK5 (44%) + 1BM_A_2
QMean=0.496
P1: (5 Cplx.) RUN1 pKi= 6.4
110 8.2 1.61039043222C0I (42%) + L1G_A_3
QMean=0.476
P2: (3 Cplx.) RUN1 pKi= 7
111 8.9 1.61039043192C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN2 pKi= 6.5
112 8.7 1.61039042802C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN0 pKi= 7
113 7.8 1.61039043482C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 7.5
114 9.4 1.61039043022C0T (42%) + L3G_A_3
QMean=0.454
P1: (9 Cplx.) RUN2 pKi= 6.5
115 8.8 1.61039043352OFV (43%) + 242_D_4
QMean=0.407
P2: (4 Cplx.) RUN1 pKi= 6.4
116 10.3 1.61039047842C0T (42%) + L3G_A_3
QMean=0.454
P3: (3 Cplx.) RUN0 pKi= 7.5
117 6.9 1.61039056082Y6O (74%) + 1N1_A_2
QMean=0.582
P2: (3 Cplx.) RUN2 pKi= 7.5
118 7.1 1.61039043162C0T (42%) + L3G_A_3
QMean=0.454
P1: (9 Cplx.) RUN1 pKi= 6.9
119 7.9 1.61039047422OFV (43%) + 242_D_4
QMean=0.407
P1: (4 Cplx.) RUN1 pKi= 7
120 7.8 1.61039042753VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (6 Cplx.) RUN0 pKi= 6.6
121 8.0 1.61039043083VS0 (42%) + VS0_A_5
QMean=0.431
P1: (6 Cplx.) RUN2 pKi= 7.2
122 8.8 1.61039043033VS6 (42%) + VSH_A_6
QMean=0.455
P1: (9 Cplx.) RUN2 pKi= 6.8
123 6.1 1.71039056482VWZ (67%) + 7X6_A_2
QMean=0.630
P1: (4 Cplx.) RUN2 pKi= 6.2
124 6.5 1.71039043372C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 5.7
125 10.1 1.71039047852C0T (42%) + L3G_A_3
QMean=0.454
P4: (3 Cplx.) RUN0 pKi= 7
126 6.9 1.71039043603VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (4 Cplx.) RUN1 pKi= 6.6
127 9.1 1.71039042833VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (6 Cplx.) RUN2 pKi= 6.1
128 6.3 1.71039046502C0I (42%) + L1G_A_3
QMean=0.476
P1: (6 Cplx.) RUN1 pKi= 5.9
129 7.9 1.71039052502VX1 (67%) + 7X8_A_2
QMean=0.603
P2: (4 Cplx.) RUN2 pKi= 7
130 7.0 1.71039053543DKO (69%) + IHZ_A_2
QMean=0.590
P2: (4 Cplx.) RUN1 pKi= 5.7
131 5.8 1.71039052153BYU (43%) + AM6_A_2
QMean=0.439
P1: (3 Cplx.) RUN1 pKi= 6.9
132 7.7 1.71039042762C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN0 pKi= 7
133 9.6 1.71039043262C0T (42%) + L3G_A_3
QMean=0.454
P2: (3 Cplx.) RUN0 pKi= 7.7
134 7.7 1.71039042963VS1 (42%) + VSA_A_5
QMean=0.453
P1: (5 Cplx.) RUN1 pKi= 6.5
135 7.9 1.71039043463VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (9 Cplx.) RUN2 pKi= 7
136 8.0 1.71039052193DKO (69%) + IHZ_A_2
QMean=0.590
P1: (4 Cplx.) RUN2 pKi= 7.2
137 7.0 1.71039047832PL0 (43%) + STI_A_2
QMean=0.451
P1: (18 Cplx.) RUN1 pKi= 6.9
138 7.6 1.71039052502VWY (67%) + 7X5_A_2
QMean=0.625
P3: (3 Cplx.) RUN1 pKi= 7
139 9.0 1.71039042772C0O (42%) + L2G_A_3
QMean=0.469
P1: (6 Cplx.) RUN0 pKi= 7.4
140 8.6 1.71039044202C0T (42%) + L3G_A_3
QMean=0.454
P1: (4 Cplx.) RUN1 pKi= 7
141 6.4 1.71039055582VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (4 Cplx.) RUN0 pKi= 5.6
142 6.7 1.71039055582Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (9 Cplx.) RUN2 pKi= 5.6
143 8.2 1.71039043342C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN1 pKi= 5.9
144 9.2 1.71039042902C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN1 pKi= 5.7
145 9.2 1.71039043192C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN0 pKi= 6.5
146 9.6 1.71039042914DGG (43%) + I76_B_4
QMean=0.475
P1: (6 Cplx.) RUN2 pKi= 5.9
147 8.3 1.71039045972PL0 (43%) + STI_A_2
QMean=0.451
P1: (6 Cplx.) RUN1 pKi= 6.9
148 7.6 1.71039042973VS1 (42%) + VSA_A_5
QMean=0.453
P2: (4 Cplx.) RUN2 pKi= 7
149 8.5 1.71039052512VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (9 Cplx.) RUN0 pKi= 6.7
150 9.5 1.71039042832C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN1 pKi= 6.1
151 4.6 1.71039056762OFV (43%) + 242_D_4
QMean=0.407
P3: (3 Cplx.) RUN1 pKi= 5.3
152 8.3 1.71039043462C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN0 pKi= 7
153 8.3 1.81039042922C0O (42%) + L2G_A_3
QMean=0.469
P3: (3 Cplx.) RUN1 pKi= 7
154 7.9 1.81039043592C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN1 pKi= 6.4
155 9.8 1.81039043203VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (4 Cplx.) RUN0 pKi= 7.7
156 6.7 1.81039043382C0I (42%) + L1G_A_3
QMean=0.476
P1: (4 Cplx.) RUN2 pKi= 6.2
157 8.3 1.81039043303VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (3 Cplx.) RUN0 pKi= 6.8
158 8.2 1.81039043613VS1 (42%) + VSA_A_5
QMean=0.453
P1: (7 Cplx.) RUN1 pKi= 7.7
159 10.2 1.81039043043VS0 (42%) + VS0_A_5
QMean=0.431
P1: (5 Cplx.) RUN0 pKi= 7
160 6.9 1.81039046002XVD (67%) + AS6_A_2
QMean=0.572
P2: (3 Cplx.) RUN2 pKi= 7
161 7.7 1.81039042943VS0 (42%) + VS0_A_5
QMean=0.431
P2: (4 Cplx.) RUN0 pKi= 7.1
162 7.4 1.81039043403VS1 (42%) + VSA_A_5
QMean=0.453
P1: (6 Cplx.) RUN2 pKi= 5.6
163 7.9 1.81039043303VS1 (42%) + VSA_A_5
QMean=0.453
P1: (6 Cplx.) RUN1 pKi= 6.8
164 7.8 1.81039043592C0O (42%) + L2G_A_3
QMean=0.469
P1: (5 Cplx.) RUN0 pKi= 6.4
165 9.7 1.81039042902C0T (42%) + L3G_A_3
QMean=0.454
P1: (5 Cplx.) RUN0 pKi= 5.7
166 7.2 1.81039050943VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (6 Cplx.) RUN2 pKi= 6.5
167 8.9 1.81039043263VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (5 Cplx.) RUN1 pKi= 7.7
168 7.4 1.81039056842Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (4 Cplx.) RUN1 pKi= 5.9
169 7.3 1.81039049532C0O (42%) + L2G_A_3
QMean=0.469
P2: (4 Cplx.) RUN2 pKi= 6.1
170 10.1 1.81039042932C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 5.8
171 7.0 1.81039053153BYU (43%) + AM6_A_2
QMean=0.439
P1: (3 Cplx.) RUN1 pKi= 7.3
172 10.1 1.91039042973BYU (43%) + AM6_A_2
QMean=0.439
P2: (4 Cplx.) RUN1 pKi= 7
173 7.8 1.91039043622C0O (42%) + L2G_A_3
QMean=0.469
P1: (4 Cplx.) RUN0 pKi= 6.8
174 7.9 1.91039043662OFV (43%) + 242_D_4
QMean=0.407
P2: (3 Cplx.) RUN1 pKi= 7.8
175 8.1 1.91039042862C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN2 pKi= 5.6
176 8.5 1.91039043662C0O (42%) + L2G_A_3
QMean=0.469
P1: (7 Cplx.) RUN2 pKi= 7.8
177 9.0 1.91039043512OFV (43%) + 242_D_4
QMean=0.407
P2: (3 Cplx.) RUN1 pKi= 5.7
178 7.2 1.91039043363VS0 (42%) + VS0_A_5
QMean=0.431
P1: (6 Cplx.) RUN2 pKi= 6.9
179 9.9 1.91039042792C0O (42%) + L2G_A_3
QMean=0.469
P2: (3 Cplx.) RUN0 pKi= 7.3
180 7.3 1.91039043323VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (3 Cplx.) RUN1 pKi= 6.4
181 7.7 1.91039043383VRZ (42%) + VRZ_B_8
QMean=0.470
P3: (3 Cplx.) RUN0 pKi= 6.2
182 8.7 1.91039043514DGG (43%) + I76_B_4
QMean=0.475
P1: (6 Cplx.) RUN2 pKi= 5.7
183 7.2 1.91039043583DKO (69%) + IHZ_A_2
QMean=0.590
P1: (5 Cplx.) RUN1 pKi= 5.9
184 7.1 1.91039055863VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (3 Cplx.) RUN2 pKi= 6.4
185 8.3 1.91039046503VS1 (42%) + VSA_A_5
QMean=0.453
P1: (4 Cplx.) RUN0 pKi= 5.9
186 6.9 1.91039047832PL0 (43%) + STI_A_2
QMean=0.451
P1: (16 Cplx.) RUN2 pKi= 6.9
187 9.1 1.91039043412C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN2 pKi= 6.7
188 8.3 1.91039052193DKO (69%) + IHZ_A_2
QMean=0.590
P1: (3 Cplx.) RUN0 pKi= 7.2
189 6.3 1.91039056482VWZ (67%) + 7X6_A_2
QMean=0.630
P1: (7 Cplx.) RUN1 pKi= 6.2
190 8.7 1.91039043413VRZ (42%) + VRZ_B_8
QMean=0.470
P3: (4 Cplx.) RUN1 pKi= 6.7
191 7.2 1.91039043323VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (4 Cplx.) RUN2 pKi= 6.4
192 8.2 1.91039047963VS0 (42%) + VS0_A_5
QMean=0.431
P1: (11 Cplx.) RUN2 pKi= 8.5
193 5.9 1.91039041912VX1 (67%) + 7X8_A_2
QMean=0.603
P2: (3 Cplx.) RUN2 pKi= 5.8
194 7.9 1.91039043713DKO (69%) + IHZ_A_2
QMean=0.590
P4: (3 Cplx.) RUN0 pKi= 6.3
195 8.8 1.91039043132OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN1 pKi= 7.7
196 9.2 2.01039043412C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN0 pKi= 6.7
197 8.9 2.01039042882C0T (42%) + L3G_A_3
QMean=0.454
P1: (3 Cplx.) RUN0 pKi= 7.1
198 8.2 2.01039047423DKO (69%) + IHZ_A_2
QMean=0.590
P1: (5 Cplx.) RUN2 pKi= 7
199 6.9 2.01039050553VS2 (42%) + VSB_A_3
QMean=0.439
P1: (8 Cplx.) RUN2 pKi= 5.8
200 8.2 2.01039043613VS0 (42%) + VS0_A_5
QMean=0.431
P1: (5 Cplx.) RUN0 pKi= 7.7
201 9.7 2.01039042914DGG (43%) + I76_B_4
QMean=0.475
P3: (3 Cplx.) RUN0 pKi= 5.9
202 8.0 2.01039043572C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN2 pKi= 7.4
203 7.6 2.01039043653VS1 (42%) + VSA_A_5
QMean=0.453
P1: (6 Cplx.) RUN0 pKi= 5.8
204 7.2 2.01039055543VRY (42%) + B43_B_7
QMean=0.453
P1: (5 Cplx.) RUN2 pKi= 5.7
205 9.1 2.01039043672OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN2 pKi= 7.1
206 8.2 2.01039047963VS0 (42%) + VS0_A_5
QMean=0.431
P1: (7 Cplx.) RUN0 pKi= 8.5
207 9.6 2.01039043672OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN0 pKi= 7.1
208 8.6 2.01039042963VS1 (42%) + VSA_A_5
QMean=0.453
P1: (6 Cplx.) RUN0 pKi= 6.5
209 9.7 2.01039043043VS1 (42%) + VSA_A_5
QMean=0.453
P1: (7 Cplx.) RUN2 pKi= 7
210 8.4 2.01039043142C0T (42%) + L3G_A_3
QMean=0.454
P2: (5 Cplx.) RUN1 pKi= 6.6
211 8.3 2.01039043153VS0 (42%) + VS0_A_5
QMean=0.431
P1: (4 Cplx.) RUN1 pKi= 7.1
212 8.8 2.01039047423DKO (69%) + IHZ_A_2
QMean=0.590
P2: (4 Cplx.) RUN0 pKi= 7
213 7.5 2.01039043403VS0 (42%) + VS0_A_5
QMean=0.431
P1: (6 Cplx.) RUN0 pKi= 5.6
214 7.4 2.01039043423VS6 (42%) + VSH_A_6
QMean=0.455
P1: (6 Cplx.) RUN1 pKi= 6.2
215 9.0 2.01039042892C0I (42%) + L1G_A_3
QMean=0.476
P2: (4 Cplx.) RUN0 pKi= 7.9
216 8.8 2.01039042882C0T (42%) + L3G_A_3
QMean=0.454
P1: (7 Cplx.) RUN2 pKi= 7.1
217 7.8 2.01039042953VS1 (42%) + VSA_A_5
QMean=0.453
P1: (6 Cplx.) RUN0 pKi= 6.1
218 8.2 2.01039043572C0T (42%) + L3G_A_3
QMean=0.454
P2: (5 Cplx.) RUN0 pKi= 7.4
219 6.2 2.01039052772XYU (74%) + Q9G_A_8
QMean=0.620
P2: (3 Cplx.) RUN1 pKi= 5.7
220 5.5 2.01039047892HEN (71%) + ADP_D_12
QMean=0.560
P1: (17 Cplx.) RUN1 pKi= 6
221 9.4 2.01039042892OFV (43%) + 242_D_4
QMean=0.407
P1: (4 Cplx.) RUN1 pKi= 7.9
222 7.2 2.01039053153BYU (43%) + AM6_A_2
QMean=0.439
P1: (3 Cplx.) RUN2 pKi= 7.3
223 6.6 2.01039055541Y57 (41%) + MPZ_G_7
QMean=0.420
P2: (3 Cplx.) RUN1 pKi= 5.7
224 5.9 2.01039041912VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (5 Cplx.) RUN0 pKi= 5.8
225 4.4 2.01039053193VS2 (42%) + VSB_A_3
QMean=0.439
P3: (3 Cplx.) RUN2 pKi= 5.5
226 5.8 2.01039056082Y6O (74%) + 1N1_A_2
QMean=0.582
P2: (3 Cplx.) RUN1 pKi= 7.5
227 7.5 2.11039042884DGG (43%) + I76_B_4
QMean=0.475
P2: (4 Cplx.) RUN1 pKi= 7.1
228 9.7 2.11039043262C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN2 pKi= 7.7
229 8.1 2.11039047963VS0 (42%) + VS0_A_5
QMean=0.431
P1: (7 Cplx.) RUN1 pKi= 8.5
230 7.1 2.11039054883VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (6 Cplx.) RUN1 pKi= 6.4
231 7.3 2.11039044442C0T (42%) + L3G_A_3
QMean=0.454
P1: (3 Cplx.) RUN2 pKi= 6.1
232 9.2 2.11039043222OFV (43%) + 242_D_4
QMean=0.407
P2: (3 Cplx.) RUN0 pKi= 7
233 8.1 2.11039049442C0T (42%) + L3G_A_3
QMean=0.454
P1: (3 Cplx.) RUN0 pKi= 5.7
234 6.9 2.11039045922VWZ (67%) + 7X6_A_2
QMean=0.630
P2: (3 Cplx.) RUN2 pKi= 5.6
235 8.5 2.11039043092OFV (43%) + 242_D_4
QMean=0.407
P2: (6 Cplx.) RUN1 pKi= 8
236 8.4 2.11039052192OFV (43%) + 242_D_4
QMean=0.407
P2: (3 Cplx.) RUN1 pKi= 7.2
237 8.3 2.11039042923VRZ (42%) + VRZ_B_8
QMean=0.470
P2: (3 Cplx.) RUN2 pKi= 7
238 6.0 2.11039043104BB4 (67%) + 32W_A_2
QMean=0.588
P1: (3 Cplx.) RUN0 pKi= 7.7
239 8.7 2.11039043514DGG (43%) + I76_B_4
QMean=0.475
P1: (7 Cplx.) RUN0 pKi= 5.7
240 8.4 2.11039043354DGG (43%) + I76_B_4
QMean=0.475
P1: (4 Cplx.) RUN0 pKi= 6.4
241 9.8 2.11039043033VS6 (42%) + VSH_A_6
QMean=0.455
P1: (6 Cplx.) RUN0 pKi= 6.8
242 8.6 2.11039043573BYU (43%) + AM6_A_2
QMean=0.439
P1: (6 Cplx.) RUN1 pKi= 7.4
243 7.4 2.11039050943VS7 (42%) + KS1_B_6
QMean=0.435
P1: (13 Cplx.) RUN1 pKi= 6.5
244 7.8 2.11039056843BYU (43%) + AM6_A_2
QMean=0.439
P1: (3 Cplx.) RUN2 pKi= 5.9
245 8.2 2.11039047643VS1 (42%) + VSA_A_5
QMean=0.453
P1: (6 Cplx.) RUN2 pKi= 6.1
246 8.4 2.11039042852OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN1 pKi= 6.3
247 6.0 2.11039045954BB4 (67%) + 32W_A_2
QMean=0.588
P1: (3 Cplx.) RUN1 pKi= 6.9
248 8.5 2.11039043142C0T (42%) + L3G_A_3
QMean=0.454
P3: (3 Cplx.) RUN0 pKi= 6.6
249 6.5 2.11039049532C0T (42%) + L3G_A_3
QMean=0.454
P1: (3 Cplx.) RUN1 pKi= 6.1
250 10.1 2.21039042912C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN1 pKi= 5.9
251 8.7 2.21039043072C0T (42%) + L3G_A_3
QMean=0.454
P1: (4 Cplx.) RUN0 pKi= 6.9
252 7.9 2.21039043393VS0 (42%) + VS0_A_5
QMean=0.431
P1: (5 Cplx.) RUN0 pKi= 6.1
253 6.9 2.21039049443VS4 (42%) + VSF_A_5
QMean=0.459
P2: (4 Cplx.) RUN2 pKi= 5.7
254 6.3 2.21039055862Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (3 Cplx.) RUN0 pKi= 6.4
255 9.3 2.21039042722C0T (42%) + L3G_A_3
QMean=0.454
P1: (8 Cplx.) RUN2 pKi= 7.2
256 9.1 2.21039043583BYU (43%) + AM6_A_2
QMean=0.439
P2: (4 Cplx.) RUN0 pKi= 5.9
257 7.1 2.21039052773VRY (42%) + B43_B_7
QMean=0.453
P1: (12 Cplx.) RUN2 pKi= 5.7
258 5.3 2.21039056054FYO (37%) + 0VF_A_2
QMean=0.510
P3: (3 Cplx.) RUN1 pKi= 5.9
259 5.5 2.21039044523VS0 (42%) + VS0_A_5
QMean=0.431
P1: (9 Cplx.) RUN1 pKi= 5.6
260 8.5 2.21039042863BYU (43%) + AM6_A_2
QMean=0.439
P1: (7 Cplx.) RUN1 pKi= 5.6
261 9.6 2.21039043023VS6 (42%) + VSH_A_6
QMean=0.455
P2: (5 Cplx.) RUN0 pKi= 6.5
262 6.7 2.21039050954FYO (37%) + 0VF_A_2
QMean=0.510
P1: (16 Cplx.) RUN1 pKi= 7.7
263 7.2 2.21039054882C0O (42%) + L2G_A_3
QMean=0.469
P1: (3 Cplx.) RUN2 pKi= 6.4
264 5.0 2.21039056054FYO (37%) + 0VF_A_2
QMean=0.510
P2: (4 Cplx.) RUN2 pKi= 5.9
265 6.8 2.21039045933VRZ (42%) + VRZ_B_8
QMean=0.470
P3: (3 Cplx.) RUN0 pKi= 6.2
266 8.5 2.31039044443BYU (43%) + AM6_A_2
QMean=0.439
P1: (6 Cplx.) RUN1 pKi= 6.1
267 9.4 2.31039043003VS6 (42%) + VSH_A_6
QMean=0.455
P1: (8 Cplx.) RUN0 pKi= 6.7
268 8.2 2.31039046022Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (5 Cplx.) RUN2 pKi= 5.9
269 5.4 2.31039041913DKO (69%) + IHZ_A_2
QMean=0.590
P2: (3 Cplx.) RUN1 pKi= 5.8
270 8.4 2.31039043603VS6 (42%) + VSH_A_6
QMean=0.455
P3: (3 Cplx.) RUN0 pKi= 6.6
271 5.1 2.31039056054FYO (37%) + 0VF_A_2
QMean=0.510
P1: (5 Cplx.) RUN0 pKi= 5.9
272 9.6 2.31039044183VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (4 Cplx.) RUN1 pKi= 7
273 6.2 2.31039047893VS7 (42%) + KS1_B_6
QMean=0.435
P1: (6 Cplx.) RUN0 pKi= 6
274 5.7 2.31039044523VRY (42%) + B43_B_7
QMean=0.453
P1: (6 Cplx.) RUN0 pKi= 5.6
275 5.6 2.31039044523VRY (42%) + B43_B_7
QMean=0.453
P1: (10 Cplx.) RUN2 pKi= 5.6
276 7.3 2.31039053543DKO (69%) + IHZ_A_2
QMean=0.590
P2: (4 Cplx.) RUN2 pKi= 5.7
277 7.3 2.31039043483VS1 (42%) + VSA_A_5
QMean=0.453
P3: (3 Cplx.) RUN0 pKi= 7.5
278 6.6 2.31039046002VWX (67%) + 7X4_A_2
QMean=0.605
P1: (8 Cplx.) RUN1 pKi= 7
279 8.7 2.31039043362OFV (43%) + 242_D_4
QMean=0.407
P1: (6 Cplx.) RUN1 pKi= 6.9
280 7.8 2.31039055253VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (4 Cplx.) RUN0 pKi= 7.9
281 8.7 2.31039042722OFV (43%) + 242_D_4
QMean=0.407
P2: (4 Cplx.) RUN1 pKi= 7.2
282 6.0 2.31039047894DGG (43%) + I76_B_4
QMean=0.475
P1: (9 Cplx.) RUN2 pKi= 6
283 6.6 2.31039056224AW5 (67%) + 30K_A_2
QMean=0.570
P1: (4 Cplx.) RUN2 pKi= 6.3
284 8.0 2.31039047643VRZ (42%) + VRZ_B_8
QMean=0.470
P1: (3 Cplx.) RUN1 pKi= 6.1
285 7.9 2.41039043092C0T (42%) + L3G_A_3
QMean=0.454
P1: (6 Cplx.) RUN0 pKi= 8
286 9.4 2.41039042722C0T (42%) + L3G_A_3
QMean=0.454
P3: (3 Cplx.) RUN0 pKi= 7.2
287 7.2 2.41039045912VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (4 Cplx.) RUN0 pKi= 8.2
288 8.8 2.41039047643VRY (42%) + B43_B_7
QMean=0.453
P2: (3 Cplx.) RUN0 pKi= 6.1
289 6.1 2.41039051822XVD (67%) + AS6_A_2
QMean=0.572
P1: (8 Cplx.) RUN1 pKi= 5.6
290 8.2 2.41039043363B2W (43%) + 9NH_A_2
QMean=0.455
P1: (3 Cplx.) RUN0 pKi= 6.9
291 6.6 2.41039046042VWY (67%) + 7X5_A_2
QMean=0.625
P2: (3 Cplx.) RUN0 pKi= 6.6
292 6.8 2.41039056322C0T (42%) + L3G_A_3
QMean=0.454
P2: (3 Cplx.) RUN2 pKi= 7.5
293 7.4 2.41039043372C0O (42%) + L2G_A_3
QMean=0.469
P2: (3 Cplx.) RUN0 pKi= 5.7
294 7.7 2.41039052504BB4 (67%) + 32W_A_2
QMean=0.588
P1: (5 Cplx.) RUN0 pKi= 7
295 7.3 2.41039056224AW5 (67%) + 30K_A_2
QMean=0.570
P1: (4 Cplx.) RUN1 pKi= 6.3
296 9.6 2.41039042832C0T (42%) + L3G_A_3
QMean=0.454
P2: (4 Cplx.) RUN0 pKi= 6.1
297 6.9 2.41039046572PL0 (43%) + STI_A_2
QMean=0.451
P2: (3 Cplx.) RUN2 pKi= 5.6
298 6.7 2.41039056322VX1 (67%) + 7X8_A_2
QMean=0.603
P1: (6 Cplx.) RUN0 pKi= 7.5
299 6.3 2.41039045972C0O (42%) + L2G_A_3
QMean=0.469
P2: (3 Cplx.) RUN2 pKi= 6.9
300 6.1 2.51039045952VWZ (67%) + 7X6_A_2
QMean=0.630
P1: (3 Cplx.) RUN2 pKi= 6.9
301 7.7 2.51039045963VS1 (42%) + VSA_A_5
QMean=0.453
P1: (3 Cplx.) RUN0 pKi= 5.9
302 8.8 2.51039047412OFV (43%) + 242_D_4
QMean=0.407
P1: (5 Cplx.) RUN0 pKi= 7.7
303 8.1 2.51039050753VRY (42%) + B43_B_7
QMean=0.453
P1: (3 Cplx.) RUN0 pKi= 5.1
304 5.6 2.51039056073VRY (42%) + B43_B_7
QMean=0.453
P1: (5 Cplx.) RUN1 pKi= 7.3
305 6.6 2.51039045942X9F (67%) + X9F_A_2
QMean=0.600
P1: (4 Cplx.) RUN0 pKi= 6.5
306 7.2 2.51039056073VS4 (42%) + VSF_A_5
QMean=0.459
P1: (13 Cplx.) RUN2 pKi= 7.3
307 7.7 2.51039055543VS2 (42%) + VSB_A_3
QMean=0.439
P2: (3 Cplx.) RUN0 pKi= 5.7
308 7.2 2.51039047832PL0 (43%) + STI_A_2
QMean=0.451
P1: (16 Cplx.) RUN0 pKi= 6.9
309 6.8 2.51039053543VS1 (42%) + VSA_A_5
QMean=0.453
P1: (5 Cplx.) RUN0 pKi= 5.7
310 7.2 2.51039054282Y6O (74%) + 1N1_A_2
QMean=0.582
P1: (3 Cplx.) RUN1 pKi= 5.5

Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.31



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