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