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

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



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