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

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



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