Screening Results : Docking based on all models from entry : EPHA2_HUMAN
Display Selection :
Study :
All_Studies
RUN0
RUN1
RUN2
Show results:
All Complexes
Atome Selection
Best pKd per Ligand
Best Position per Ligand (LPE)
Selection of Expert
Values:
Resume
Details
Color code: [
Good
|
Correct
|
Uncertain
|
Dubius
] - pKd: [
‹nMol
|
‹μMol
|
‹mMol
| ›mMol]
pKd
LE
LPE < 1.5
LPE < 2.5
All LPE
LPE Spec
ALL_Candidates
103904191
103904272
103904275
103904276
103904277
103904278
103904279
103904280
103904281
103904283
103904285
103904286
103904288
103904289
103904290
103904291
103904292
103904293
103904294
103904295
103904296
103904297
103904300
103904302
103904303
103904304
103904307
103904308
103904309
103904310
103904313
103904314
103904315
103904316
103904317
103904319
103904320
103904322
103904326
103904330
103904332
103904334
103904335
103904336
103904337
103904338
103904339
103904340
103904341
103904342
103904346
103904348
103904351
103904354
103904357
103904358
103904359
103904360
103904361
103904362
103904365
103904366
103904367
103904371
103904403
103904411
103904418
103904420
103904444
103904452
103904591
103904592
103904593
103904594
103904595
103904596
103904597
103904600
103904602
103904604
103904611
103904650
103904657
103904739
103904741
103904742
103904764
103904783
103904784
103904785
103904789
103904796
103904944
103904953
103905055
103905075
103905094
103905095
103905182
103905215
103905219
103905245
103905247
103905250
103905251
103905277
103905315
103905319
103905354
103905367
103905428
103905488
103905525
103905531
103905543
103905554
103905558
103905565
103905586
103905605
103905607
103905608
103905622
103905632
103905648
103905676
103905684
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
5.7
0.1
103904611
2X9F
(67%)
+
X9F_A_2
QMean=0.600
P2
:
(5 Cplx.)
RUN2
pKi= 5.3
2
5.8
0.4
103904611
2VWY
(67%)
+
7X5_A_2
QMean=0.625
P1
:
(5 Cplx.)
RUN0
pKi= 5.3
3
6.3
0.5
103904593
2VWY
(67%)
+
7X5_A_2
QMean=0.625
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
4
7.6
0.5
103905543
2Y6O
(74%)
+
1N1_A_2
QMean=0.582
P1
:
(3 Cplx.)
RUN1
pKi= 8.4
5
5.9
0.6
103904594
2X9F
(67%)
+
X9F_A_2
QMean=0.600
P1
:
(7 Cplx.)
RUN2
pKi= 6.5
6
6.2
0.6
103904604
2VX1
(67%)
+
7X8_A_2
QMean=0.603
P1
:
(7 Cplx.)
RUN2
pKi= 6.6
7
5.6
0.6
103904604
2VX1
(67%)
+
7X8_A_2
QMean=0.603
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
8
5.3
0.6
103904611
2VX1
(67%)
+
7X8_A_2
QMean=0.603
P1
:
(12 Cplx.)
RUN1
pKi= 5.3
9
5.8
0.7
103904594
2VX1
(67%)
+
7X8_A_2
QMean=0.603
P1
:
(7 Cplx.)
RUN1
pKi= 6.5
10
7.7
1.0
103905531
3CBL
(41%)
+
STU_A_3
QMean=0.522
P3
:
(3 Cplx.)
RUN2
pKi= 6.6
11
5.8
1.0
103904593
2X9F
(67%)
+
X9F_A_2
QMean=0.600
P1
:
(5 Cplx.)
RUN1
pKi= 6.2
12
7.4
1.1
103905251
2X9F
(67%)
+
X9F_A_2
QMean=0.600
P2
:
(3 Cplx.)
RUN1
pKi= 6.7
13
8.1
1.1
103904285
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(7 Cplx.)
RUN2
pKi= 6.3
14
7.1
1.1
103905531
3CBL
(41%)
+
STU_A_3
QMean=0.522
P3
:
(3 Cplx.)
RUN1
pKi= 6.6
15
6.9
1.1
103904276
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(5 Cplx.)
RUN1
pKi= 7
16
6.8
1.1
103904275
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(6 Cplx.)
RUN1
pKi= 6.6
17
8.3
1.1
103905543
3BYU
(43%)
+
AM6_A_2
QMean=0.439
P2
:
(4 Cplx.)
RUN2
pKi= 8.4
18
9.1
1.1
103904280
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(8 Cplx.)
RUN1
pKi= 7
19
7.4
1.2
103904362
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(8 Cplx.)
RUN2
pKi= 6.8
20
8.4
1.2
103904280
2C0I
(42%)
+
L1G_A_3
QMean=0.476
P1
:
(8 Cplx.)
RUN2
pKi= 7
21
9.0
1.2
103904354
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(8 Cplx.)
RUN2
pKi= 7.8
22
8.4
1.2
103904315
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(6 Cplx.)
RUN2
pKi= 7.1
23
8.6
1.2
103904322
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(8 Cplx.)
RUN2
pKi= 7
24
7.6
1.2
103904275
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(7 Cplx.)
RUN2
pKi= 6.6
25
7.1
1.2
103904360
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(5 Cplx.)
RUN2
pKi= 6.6
26
6.4
1.2
103905558
2X9F
(67%)
+
X9F_A_2
QMean=0.600
P2
:
(4 Cplx.)
RUN1
pKi= 5.6
27
7.9
1.2
103904339
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(7 Cplx.)
RUN2
pKi= 6.1
28
8.1
1.2
103904285
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
29
5.4
1.3
103905055
4BB4
(67%)
+
32W_A_2
QMean=0.588
P3
:
(3 Cplx.)
RUN1
pKi= 5.8
30
8.4
1.3
103904367
2OFV
(43%)
+
242_D_4
QMean=0.407
P1
:
(3 Cplx.)
RUN1
pKi= 7.1
31
9.7
1.3
103904784
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(4 Cplx.)
RUN2
pKi= 7.5
32
7.7
1.3
103904310
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(4 Cplx.)
RUN2
pKi= 7.7
33
8.0
1.3
103905251
2X9F
(67%)
+
X9F_A_2
QMean=0.600
P2
:
(3 Cplx.)
RUN2
pKi= 6.7
34
7.6
1.3
103904591
2Y6O
(74%)
+
1N1_A_2
QMean=0.582
P1
:
(5 Cplx.)
RUN1
pKi= 8.2
35
8.6
1.3
103904279
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(6 Cplx.)
RUN1
pKi= 7.3
36
7.9
1.3
103904314
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(8 Cplx.)
RUN2
pKi= 6.6
37
8.4
1.3
103904310
3B2W
(43%)
+
9NH_A_2
QMean=0.455
P1
:
(5 Cplx.)
RUN1
pKi= 7.7
38
7.6
1.3
103904276
4DGG
(43%)
+
I76_B_4
QMean=0.475
P1
:
(8 Cplx.)
RUN2
pKi= 7
39
9.1
1.3
103904302
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(9 Cplx.)
RUN1
pKi= 6.5
40
9.1
1.3
103904319
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(8 Cplx.)
RUN1
pKi= 6.5
41
9.3
1.3
103904785
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN2
pKi= 7
42
7.5
1.4
103904365
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(8 Cplx.)
RUN2
pKi= 5.8
43
8.1
1.4
103904277
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(7 Cplx.)
RUN1
pKi= 7.4
44
6.7
1.4
103904591
2VWX
(67%)
+
7X4_A_2
QMean=0.605
P1
:
(5 Cplx.)
RUN2
pKi= 8.2
45
7.4
1.4
103904339
2C0I
(42%)
+
L1G_A_3
QMean=0.476
P1
:
(9 Cplx.)
RUN1
pKi= 6.1
46
8.6
1.4
103904354
2C0I
(42%)
+
L1G_A_3
QMean=0.476
P1
:
(6 Cplx.)
RUN1
pKi= 7.8
47
7.0
1.4
103904295
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(6 Cplx.)
RUN1
pKi= 6.1
48
7.5
1.4
103905543
2VWX
(67%)
+
7X4_A_2
QMean=0.605
P2
:
(3 Cplx.)
RUN0
pKi= 8.4
49
7.8
1.4
103904371
2OFV
(43%)
+
242_D_4
QMean=0.407
P1
:
(6 Cplx.)
RUN1
pKi= 6.3
50
7.7
1.4
103904340
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(5 Cplx.)
RUN1
pKi= 5.6
51
9.2
1.4
103904313
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(5 Cplx.)
RUN0
pKi= 7.7
52
7.7
1.4
103904335
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(7 Cplx.)
RUN2
pKi= 6.4
53
7.4
1.4
103904359
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(8 Cplx.)
RUN2
pKi= 6.4
54
8.5
1.4
103904308
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(5 Cplx.)
RUN0
pKi= 7.2
55
8.6
1.4
103904317
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN2
pKi= 6.1
56
9.2
1.4
103904785
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(7 Cplx.)
RUN1
pKi= 7
57
8.1
1.4
103904361
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(7 Cplx.)
RUN2
pKi= 7.7
58
8.7
1.4
103904308
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN1
pKi= 7.2
59
9.0
1.4
103904281
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(7 Cplx.)
RUN2
pKi= 7.1
60
9.6
1.4
103904281
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN0
pKi= 7.1
61
9.1
1.4
103904784
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(8 Cplx.)
RUN1
pKi= 7.5
62
6.2
1.4
103904403
2X9F
(67%)
+
X9F_A_2
QMean=0.600
P1
:
(9 Cplx.)
RUN2
pKi= 6.6
63
8.6
1.4
103904300
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN1
pKi= 6.7
64
8.0
1.4
103904330
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(5 Cplx.)
RUN2
pKi= 6.8
65
7.1
1.4
103904596
2X9F
(67%)
+
X9F_A_2
QMean=0.600
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
66
8.9
1.4
103904281
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(7 Cplx.)
RUN1
pKi= 7.1
67
7.1
1.4
103904278
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P3
:
(3 Cplx.)
RUN1
pKi= 6.7
68
5.8
1.5
103905055
2X9F
(67%)
+
X9F_A_2
QMean=0.600
P2
:
(3 Cplx.)
RUN0
pKi= 5.8
69
8.6
1.5
103904342
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN0
pKi= 6.2
70
9.0
1.5
103904307
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(8 Cplx.)
RUN1
pKi= 6.9
71
8.5
1.5
103904317
4DGG
(43%)
+
I76_B_4
QMean=0.475
P1
:
(5 Cplx.)
RUN0
pKi= 6.1
72
7.4
1.5
103904741
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P2
:
(3 Cplx.)
RUN2
pKi= 7.7
73
8.7
1.5
103904279
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(4 Cplx.)
RUN2
pKi= 7.3
74
8.4
1.5
103904313
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(9 Cplx.)
RUN2
pKi= 7.7
75
9.7
1.5
103904320
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(5 Cplx.)
RUN2
pKi= 7.7
76
8.6
1.5
103904316
2C0I
(42%)
+
L1G_A_3
QMean=0.476
P1
:
(8 Cplx.)
RUN2
pKi= 6.9
77
7.8
1.5
103904294
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(7 Cplx.)
RUN2
pKi= 7.1
78
8.4
1.5
103904334
4DGG
(43%)
+
I76_B_4
QMean=0.475
P1
:
(9 Cplx.)
RUN2
pKi= 5.9
79
7.4
1.5
103904338
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(7 Cplx.)
RUN1
pKi= 6.2
80
7.7
1.5
103904346
3B2W
(43%)
+
9NH_A_2
QMean=0.455
P1
:
(7 Cplx.)
RUN1
pKi= 7
81
7.9
1.5
103905632
3BYU
(43%)
+
AM6_A_2
QMean=0.439
P3
:
(3 Cplx.)
RUN1
pKi= 7.5
82
6.7
1.5
103905095
3VRY
(42%)
+
B43_B_7
QMean=0.453
P1
:
(16 Cplx.)
RUN2
pKi= 7.7
83
5.6
1.5
103904403
2VWX
(67%)
+
7X4_A_2
QMean=0.605
P1
:
(6 Cplx.)
RUN1
pKi= 6.6
84
8.8
1.5
103904277
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN2
pKi= 7.4
85
7.9
1.5
103904307
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P1
:
(7 Cplx.)
RUN2
pKi= 6.9
86
8.1
1.5
103904371
3DKO
(69%)
+
IHZ_A_2
QMean=0.590
P1
:
(7 Cplx.)
RUN2
pKi= 6.3
87
6.7
1.5
103904365
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(9 Cplx.)
RUN1
pKi= 5.8
88
8.8
1.5
103904303
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN1
pKi= 6.8
89
8.1
1.5
103904296
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN2
pKi= 6.5
90
8.6
1.5
103904334
4DGG
(43%)
+
I76_B_4
QMean=0.475
P1
:
(4 Cplx.)
RUN0
pKi= 5.9
91
7.6
1.5
103904294
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(5 Cplx.)
RUN1
pKi= 7.1
92
6.4
1.5
103905215
2VWZ
(67%)
+
7X6_A_2
QMean=0.630
P3
:
(3 Cplx.)
RUN2
pKi= 6.9
93
7.7
1.5
103904295
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P2
:
(4 Cplx.)
RUN2
pKi= 6.1
94
8.1
1.5
103904342
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(8 Cplx.)
RUN2
pKi= 6.2
95
7.2
1.6
103904348
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(5 Cplx.)
RUN2
pKi= 7.5
96
9.0
1.6
103904293
2C0I
(42%)
+
L1G_A_3
QMean=0.476
P1
:
(3 Cplx.)
RUN2
pKi= 5.8
97
9.8
1.6
103904304
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(5 Cplx.)
RUN1
pKi= 7
98
7.8
1.6
103904741
2OFV
(43%)
+
242_D_4
QMean=0.407
P1
:
(6 Cplx.)
RUN1
pKi= 7.7
99
7.7
1.6
103904362
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P2
:
(4 Cplx.)
RUN1
pKi= 6.8
100
8.3
1.6
103904317
4DGG
(43%)
+
I76_B_4
QMean=0.475
P1
:
(5 Cplx.)
RUN1
pKi= 6.1
101
8.7
1.6
103904316
2C0I
(42%)
+
L1G_A_3
QMean=0.476
P1
:
(7 Cplx.)
RUN0
pKi= 6.9
102
6.9
1.6
103905525
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P2
:
(4 Cplx.)
RUN1
pKi= 7.9
103
7.9
1.6
103905531
3CBL
(41%)
+
STU_A_3
QMean=0.522
P3
:
(3 Cplx.)
RUN0
pKi= 6.6
104
7.5
1.6
103904309
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(7 Cplx.)
RUN2
pKi= 8
105
6.3
1.6
103904403
2VWY
(67%)
+
7X5_A_2
QMean=0.625
P1
:
(8 Cplx.)
RUN0
pKi= 6.6
106
9.3
1.6
103904290
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(8 Cplx.)
RUN2
pKi= 5.7
107
9.4
1.6
103904320
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P3
:
(3 Cplx.)
RUN1
pKi= 7.7
108
8.7
1.6
103904280
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN0
pKi= 7
109
8.3
1.6
103904650
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
110
8.9
1.6
103904319
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(5 Cplx.)
RUN2
pKi= 6.5
111
8.2
1.6
103904322
2C0I
(42%)
+
L1G_A_3
QMean=0.476
P2
:
(3 Cplx.)
RUN1
pKi= 7
112
6.5
1.6
103905586
2HK5
(44%)
+
1BM_A_2
QMean=0.496
P1
:
(5 Cplx.)
RUN1
pKi= 6.4
113
7.8
1.6
103904348
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN1
pKi= 7.5
114
9.4
1.6
103904302
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(9 Cplx.)
RUN2
pKi= 6.5
115
8.8
1.6
103904335
2OFV
(43%)
+
242_D_4
QMean=0.407
P2
:
(4 Cplx.)
RUN1
pKi= 6.4
116
7.1
1.6
103904316
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(9 Cplx.)
RUN1
pKi= 6.9
117
7.9
1.6
103904742
2OFV
(43%)
+
242_D_4
QMean=0.407
P1
:
(4 Cplx.)
RUN1
pKi= 7
118
6.9
1.6
103905608
2Y6O
(74%)
+
1N1_A_2
QMean=0.582
P2
:
(3 Cplx.)
RUN2
pKi= 7.5
119
7.8
1.6
103904275
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P1
:
(6 Cplx.)
RUN0
pKi= 6.6
120
10.3
1.6
103904784
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P3
:
(3 Cplx.)
RUN0
pKi= 7.5
121
8.0
1.6
103904308
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(6 Cplx.)
RUN2
pKi= 7.2
122
8.8
1.6
103904303
3VS6
(42%)
+
VSH_A_6
QMean=0.455
P1
:
(9 Cplx.)
RUN2
pKi= 6.8
123
6.1
1.7
103905648
2VWZ
(67%)
+
7X6_A_2
QMean=0.630
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
124
10.1
1.7
103904785
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P4
:
(3 Cplx.)
RUN0
pKi= 7
125
6.9
1.7
103904360
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P2
:
(4 Cplx.)
RUN1
pKi= 6.6
126
6.5
1.7
103904337
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN1
pKi= 5.7
127
6.3
1.7
103904650
2C0I
(42%)
+
L1G_A_3
QMean=0.476
P1
:
(6 Cplx.)
RUN1
pKi= 5.9
128
9.1
1.7
103904283
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P1
:
(6 Cplx.)
RUN2
pKi= 6.1
129
7.9
1.7
103905250
2VX1
(67%)
+
7X8_A_2
QMean=0.603
P2
:
(4 Cplx.)
RUN2
pKi= 7
130
5.8
1.7
103905215
3BYU
(43%)
+
AM6_A_2
QMean=0.439
P1
:
(3 Cplx.)
RUN1
pKi= 6.9
131
7.0
1.7
103905354
3DKO
(69%)
+
IHZ_A_2
QMean=0.590
P2
:
(4 Cplx.)
RUN1
pKi= 5.7
132
7.7
1.7
103904276
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(7 Cplx.)
RUN0
pKi= 7
133
7.0
1.7
103904783
2PL0
(43%)
+
STI_A_2
QMean=0.451
P1
:
(18 Cplx.)
RUN1
pKi= 6.9
134
7.7
1.7
103904296
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(5 Cplx.)
RUN1
pKi= 6.5
135
7.9
1.7
103904346
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P1
:
(9 Cplx.)
RUN2
pKi= 7
136
8.0
1.7
103905219
3DKO
(69%)
+
IHZ_A_2
QMean=0.590
P1
:
(4 Cplx.)
RUN2
pKi= 7.2
137
9.6
1.7
103904326
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P2
:
(3 Cplx.)
RUN0
pKi= 7.7
138
7.6
1.7
103905250
2VWY
(67%)
+
7X5_A_2
QMean=0.625
P3
:
(3 Cplx.)
RUN1
pKi= 7
139
9.0
1.7
103904277
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(6 Cplx.)
RUN0
pKi= 7.4
140
6.4
1.7
103905558
2VX1
(67%)
+
7X8_A_2
QMean=0.603
P1
:
(4 Cplx.)
RUN0
pKi= 5.6
141
6.7
1.7
103905558
2Y6O
(74%)
+
1N1_A_2
QMean=0.582
P1
:
(9 Cplx.)
RUN2
pKi= 5.6
142
8.6
1.7
103904420
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(4 Cplx.)
RUN1
pKi= 7
143
9.2
1.7
103904290
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(5 Cplx.)
RUN1
pKi= 5.7
144
9.2
1.7
103904319
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN0
pKi= 6.5
145
9.6
1.7
103904291
4DGG
(43%)
+
I76_B_4
QMean=0.475
P1
:
(6 Cplx.)
RUN2
pKi= 5.9
146
8.2
1.7
103904334
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(8 Cplx.)
RUN1
pKi= 5.9
147
8.5
1.7
103905251
2VX1
(67%)
+
7X8_A_2
QMean=0.603
P1
:
(9 Cplx.)
RUN0
pKi= 6.7
148
7.6
1.7
103904297
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P2
:
(4 Cplx.)
RUN2
pKi= 7
149
4.6
1.7
103905676
2OFV
(43%)
+
242_D_4
QMean=0.407
P3
:
(3 Cplx.)
RUN1
pKi= 5.3
150
8.3
1.7
103904597
2PL0
(43%)
+
STI_A_2
QMean=0.451
P1
:
(6 Cplx.)
RUN1
pKi= 6.9
151
8.3
1.7
103904346
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(7 Cplx.)
RUN0
pKi= 7
152
9.5
1.7
103904283
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(5 Cplx.)
RUN1
pKi= 6.1
153
9.8
1.8
103904320
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P1
:
(4 Cplx.)
RUN0
pKi= 7.7
154
8.3
1.8
103904292
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P3
:
(3 Cplx.)
RUN1
pKi= 7
155
7.9
1.8
103904359
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(5 Cplx.)
RUN1
pKi= 6.4
156
6.7
1.8
103904338
2C0I
(42%)
+
L1G_A_3
QMean=0.476
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
157
8.3
1.8
103904330
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P2
:
(3 Cplx.)
RUN0
pKi= 6.8
158
6.9
1.8
103904600
2XVD
(67%)
+
AS6_A_2
QMean=0.572
P2
:
(3 Cplx.)
RUN2
pKi= 7
159
10.2
1.8
103904304
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(5 Cplx.)
RUN0
pKi= 7
160
7.7
1.8
103904294
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P2
:
(4 Cplx.)
RUN0
pKi= 7.1
161
8.2
1.8
103904361
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(7 Cplx.)
RUN1
pKi= 7.7
162
9.7
1.8
103904290
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(5 Cplx.)
RUN0
pKi= 5.7
163
7.4
1.8
103904340
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(6 Cplx.)
RUN2
pKi= 5.6
164
7.9
1.8
103904330
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(6 Cplx.)
RUN1
pKi= 6.8
165
7.8
1.8
103904359
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(5 Cplx.)
RUN0
pKi= 6.4
166
7.2
1.8
103905094
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P2
:
(6 Cplx.)
RUN2
pKi= 6.5
167
7.4
1.8
103905684
2Y6O
(74%)
+
1N1_A_2
QMean=0.582
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
168
7.3
1.8
103904953
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P2
:
(4 Cplx.)
RUN2
pKi= 6.1
169
8.9
1.8
103904326
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P1
:
(5 Cplx.)
RUN1
pKi= 7.7
170
10.1
1.8
103904293
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN1
pKi= 5.8
171
7.0
1.8
103905315
3BYU
(43%)
+
AM6_A_2
QMean=0.439
P1
:
(3 Cplx.)
RUN1
pKi= 7.3
172
10.1
1.9
103904297
3BYU
(43%)
+
AM6_A_2
QMean=0.439
P2
:
(4 Cplx.)
RUN1
pKi= 7
173
8.1
1.9
103904286
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(7 Cplx.)
RUN2
pKi= 5.6
174
7.8
1.9
103904362
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
175
7.9
1.9
103904366
2OFV
(43%)
+
242_D_4
QMean=0.407
P2
:
(3 Cplx.)
RUN1
pKi= 7.8
176
8.5
1.9
103904366
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(7 Cplx.)
RUN2
pKi= 7.8
177
7.3
1.9
103904332
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P2
:
(3 Cplx.)
RUN1
pKi= 6.4
178
7.2
1.9
103904336
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(6 Cplx.)
RUN2
pKi= 6.9
179
9.0
1.9
103904351
2OFV
(43%)
+
242_D_4
QMean=0.407
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
180
9.9
1.9
103904279
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P2
:
(3 Cplx.)
RUN0
pKi= 7.3
181
7.7
1.9
103904338
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P3
:
(3 Cplx.)
RUN0
pKi= 6.2
182
8.7
1.9
103904351
4DGG
(43%)
+
I76_B_4
QMean=0.475
P1
:
(6 Cplx.)
RUN2
pKi= 5.7
183
7.2
1.9
103904358
3DKO
(69%)
+
IHZ_A_2
QMean=0.590
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
184
7.1
1.9
103905586
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P2
:
(3 Cplx.)
RUN2
pKi= 6.4
185
8.3
1.9
103904650
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(4 Cplx.)
RUN0
pKi= 5.9
186
9.1
1.9
103904341
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(7 Cplx.)
RUN2
pKi= 6.7
187
8.3
1.9
103905219
3DKO
(69%)
+
IHZ_A_2
QMean=0.590
P1
:
(3 Cplx.)
RUN0
pKi= 7.2
188
6.9
1.9
103904783
2PL0
(43%)
+
STI_A_2
QMean=0.451
P1
:
(16 Cplx.)
RUN2
pKi= 6.9
189
6.3
1.9
103905648
2VWZ
(67%)
+
7X6_A_2
QMean=0.630
P1
:
(7 Cplx.)
RUN1
pKi= 6.2
190
8.7
1.9
103904341
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P3
:
(4 Cplx.)
RUN1
pKi= 6.7
191
7.2
1.9
103904332
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P2
:
(4 Cplx.)
RUN2
pKi= 6.4
192
8.2
1.9
103904796
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(11 Cplx.)
RUN2
pKi= 8.5
193
7.9
1.9
103904371
3DKO
(69%)
+
IHZ_A_2
QMean=0.590
P4
:
(3 Cplx.)
RUN0
pKi= 6.3
194
5.9
1.9
103904191
2VX1
(67%)
+
7X8_A_2
QMean=0.603
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
195
8.8
1.9
103904313
2OFV
(43%)
+
242_D_4
QMean=0.407
P1
:
(6 Cplx.)
RUN1
pKi= 7.7
196
8.2
2.0
103904742
3DKO
(69%)
+
IHZ_A_2
QMean=0.590
P1
:
(5 Cplx.)
RUN2
pKi= 7
197
6.9
2.0
103905055
3VS2
(42%)
+
VSB_A_3
QMean=0.439
P1
:
(8 Cplx.)
RUN2
pKi= 5.8
198
8.2
2.0
103904361
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(5 Cplx.)
RUN0
pKi= 7.7
199
8.9
2.0
103904288
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(3 Cplx.)
RUN0
pKi= 7.1
200
8.0
2.0
103904357
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(7 Cplx.)
RUN2
pKi= 7.4
201
9.2
2.0
103904341
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN0
pKi= 6.7
202
9.7
2.0
103904291
4DGG
(43%)
+
I76_B_4
QMean=0.475
P3
:
(3 Cplx.)
RUN0
pKi= 5.9
203
7.6
2.0
103904365
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(6 Cplx.)
RUN0
pKi= 5.8
204
9.1
2.0
103904367
2OFV
(43%)
+
242_D_4
QMean=0.407
P1
:
(6 Cplx.)
RUN2
pKi= 7.1
205
8.2
2.0
103904796
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(7 Cplx.)
RUN0
pKi= 8.5
206
7.2
2.0
103905554
3VRY
(42%)
+
B43_B_7
QMean=0.453
P1
:
(5 Cplx.)
RUN2
pKi= 5.7
207
8.6
2.0
103904296
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(6 Cplx.)
RUN0
pKi= 6.5
208
9.6
2.0
103904367
2OFV
(43%)
+
242_D_4
QMean=0.407
P1
:
(6 Cplx.)
RUN0
pKi= 7.1
209
8.4
2.0
103904314
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P2
:
(5 Cplx.)
RUN1
pKi= 6.6
210
8.8
2.0
103904742
3DKO
(69%)
+
IHZ_A_2
QMean=0.590
P2
:
(4 Cplx.)
RUN0
pKi= 7
211
9.7
2.0
103904304
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(7 Cplx.)
RUN2
pKi= 7
212
8.3
2.0
103904315
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(4 Cplx.)
RUN1
pKi= 7.1
213
7.5
2.0
103904340
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(6 Cplx.)
RUN0
pKi= 5.6
214
7.4
2.0
103904342
3VS6
(42%)
+
VSH_A_6
QMean=0.455
P1
:
(6 Cplx.)
RUN1
pKi= 6.2
215
9.0
2.0
103904289
2C0I
(42%)
+
L1G_A_3
QMean=0.476
P2
:
(4 Cplx.)
RUN0
pKi= 7.9
216
8.2
2.0
103904357
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P2
:
(5 Cplx.)
RUN0
pKi= 7.4
217
8.8
2.0
103904288
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(7 Cplx.)
RUN2
pKi= 7.1
218
7.8
2.0
103904295
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(6 Cplx.)
RUN0
pKi= 6.1
219
6.2
2.0
103905277
2XYU
(74%)
+
Q9G_A_8
QMean=0.620
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
220
9.4
2.0
103904289
2OFV
(43%)
+
242_D_4
QMean=0.407
P1
:
(4 Cplx.)
RUN1
pKi= 7.9
221
5.5
2.0
103904789
2HEN
(71%)
+
ADP_D_12
QMean=0.560
P1
:
(17 Cplx.)
RUN1
pKi= 6
222
7.2
2.0
103905315
3BYU
(43%)
+
AM6_A_2
QMean=0.439
P1
:
(3 Cplx.)
RUN2
pKi= 7.3
223
4.4
2.0
103905319
3VS2
(42%)
+
VSB_A_3
QMean=0.439
P3
:
(3 Cplx.)
RUN2
pKi= 5.5
224
5.9
2.0
103904191
2VX1
(67%)
+
7X8_A_2
QMean=0.603
P1
:
(5 Cplx.)
RUN0
pKi= 5.8
225
5.8
2.0
103905608
2Y6O
(74%)
+
1N1_A_2
QMean=0.582
P2
:
(3 Cplx.)
RUN1
pKi= 7.5
226
6.6
2.0
103905554
1Y57
(41%)
+
MPZ_G_7
QMean=0.420
P2
:
(3 Cplx.)
RUN1
pKi= 5.7
227
9.7
2.1
103904326
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN2
pKi= 7.7
228
7.5
2.1
103904288
4DGG
(43%)
+
I76_B_4
QMean=0.475
P2
:
(4 Cplx.)
RUN1
pKi= 7.1
229
8.1
2.1
103904944
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(3 Cplx.)
RUN0
pKi= 5.7
230
8.1
2.1
103904796
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(7 Cplx.)
RUN1
pKi= 8.5
231
7.3
2.1
103904444
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(3 Cplx.)
RUN2
pKi= 6.1
232
9.2
2.1
103904322
2OFV
(43%)
+
242_D_4
QMean=0.407
P2
:
(3 Cplx.)
RUN0
pKi= 7
233
7.1
2.1
103905488
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P1
:
(6 Cplx.)
RUN1
pKi= 6.4
234
8.3
2.1
103904292
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P2
:
(3 Cplx.)
RUN2
pKi= 7
235
6.9
2.1
103904592
2VWZ
(67%)
+
7X6_A_2
QMean=0.630
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
236
8.4
2.1
103905219
2OFV
(43%)
+
242_D_4
QMean=0.407
P2
:
(3 Cplx.)
RUN1
pKi= 7.2
237
8.5
2.1
103904309
2OFV
(43%)
+
242_D_4
QMean=0.407
P2
:
(6 Cplx.)
RUN1
pKi= 8
238
8.7
2.1
103904351
4DGG
(43%)
+
I76_B_4
QMean=0.475
P1
:
(7 Cplx.)
RUN0
pKi= 5.7
239
6.0
2.1
103904310
4BB4
(67%)
+
32W_A_2
QMean=0.588
P1
:
(3 Cplx.)
RUN0
pKi= 7.7
240
8.4
2.1
103904335
4DGG
(43%)
+
I76_B_4
QMean=0.475
P1
:
(4 Cplx.)
RUN0
pKi= 6.4
241
8.6
2.1
103904357
3BYU
(43%)
+
AM6_A_2
QMean=0.439
P1
:
(6 Cplx.)
RUN1
pKi= 7.4
242
9.8
2.1
103904303
3VS6
(42%)
+
VSH_A_6
QMean=0.455
P1
:
(6 Cplx.)
RUN0
pKi= 6.8
243
7.4
2.1
103905094
3VS7
(42%)
+
KS1_B_6
QMean=0.435
P1
:
(13 Cplx.)
RUN1
pKi= 6.5
244
8.2
2.1
103904764
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(6 Cplx.)
RUN2
pKi= 6.1
245
7.8
2.1
103905684
3BYU
(43%)
+
AM6_A_2
QMean=0.439
P1
:
(3 Cplx.)
RUN2
pKi= 5.9
246
6.0
2.1
103904595
4BB4
(67%)
+
32W_A_2
QMean=0.588
P1
:
(3 Cplx.)
RUN1
pKi= 6.9
247
8.4
2.1
103904285
2OFV
(43%)
+
242_D_4
QMean=0.407
P1
:
(6 Cplx.)
RUN1
pKi= 6.3
248
8.5
2.1
103904314
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P3
:
(3 Cplx.)
RUN0
pKi= 6.6
249
6.5
2.1
103904953
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
250
10.1
2.2
103904291
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN1
pKi= 5.9
251
7.9
2.2
103904339
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(5 Cplx.)
RUN0
pKi= 6.1
252
6.9
2.2
103904944
3VS4
(42%)
+
VSF_A_5
QMean=0.459
P2
:
(4 Cplx.)
RUN2
pKi= 5.7
253
8.7
2.2
103904307
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(4 Cplx.)
RUN0
pKi= 6.9
254
6.3
2.2
103905586
2Y6O
(74%)
+
1N1_A_2
QMean=0.582
P1
:
(3 Cplx.)
RUN0
pKi= 6.4
255
9.3
2.2
103904272
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(8 Cplx.)
RUN2
pKi= 7.2
256
9.1
2.2
103904358
3BYU
(43%)
+
AM6_A_2
QMean=0.439
P2
:
(4 Cplx.)
RUN0
pKi= 5.9
257
5.3
2.2
103905605
4FYO
(37%)
+
0VF_A_2
QMean=0.510
P3
:
(3 Cplx.)
RUN1
pKi= 5.9
258
7.1
2.2
103905277
3VRY
(42%)
+
B43_B_7
QMean=0.453
P1
:
(12 Cplx.)
RUN2
pKi= 5.7
259
5.5
2.2
103904452
3VS0
(42%)
+
VS0_A_5
QMean=0.431
P1
:
(9 Cplx.)
RUN1
pKi= 5.6
260
8.5
2.2
103904286
3BYU
(43%)
+
AM6_A_2
QMean=0.439
P1
:
(7 Cplx.)
RUN1
pKi= 5.6
261
9.6
2.2
103904302
3VS6
(42%)
+
VSH_A_6
QMean=0.455
P2
:
(5 Cplx.)
RUN0
pKi= 6.5
262
6.7
2.2
103905095
4FYO
(37%)
+
0VF_A_2
QMean=0.510
P1
:
(16 Cplx.)
RUN1
pKi= 7.7
263
7.2
2.2
103905488
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P1
:
(3 Cplx.)
RUN2
pKi= 6.4
264
5.0
2.2
103905605
4FYO
(37%)
+
0VF_A_2
QMean=0.510
P2
:
(4 Cplx.)
RUN2
pKi= 5.9
265
6.8
2.2
103904593
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P3
:
(3 Cplx.)
RUN0
pKi= 6.2
266
8.2
2.3
103904602
2Y6O
(74%)
+
1N1_A_2
QMean=0.582
P1
:
(5 Cplx.)
RUN2
pKi= 5.9
267
9.4
2.3
103904300
3VS6
(42%)
+
VSH_A_6
QMean=0.455
P1
:
(8 Cplx.)
RUN0
pKi= 6.7
268
8.5
2.3
103904444
3BYU
(43%)
+
AM6_A_2
QMean=0.439
P1
:
(6 Cplx.)
RUN1
pKi= 6.1
269
8.4
2.3
103904360
3VS6
(42%)
+
VSH_A_6
QMean=0.455
P3
:
(3 Cplx.)
RUN0
pKi= 6.6
270
5.4
2.3
103904191
3DKO
(69%)
+
IHZ_A_2
QMean=0.590
P2
:
(3 Cplx.)
RUN1
pKi= 5.8
271
5.7
2.3
103904452
3VRY
(42%)
+
B43_B_7
QMean=0.453
P1
:
(6 Cplx.)
RUN0
pKi= 5.6
272
5.6
2.3
103904452
3VRY
(42%)
+
B43_B_7
QMean=0.453
P1
:
(10 Cplx.)
RUN2
pKi= 5.6
273
5.1
2.3
103905605
4FYO
(37%)
+
0VF_A_2
QMean=0.510
P1
:
(5 Cplx.)
RUN0
pKi= 5.9
274
6.2
2.3
103904789
3VS7
(42%)
+
KS1_B_6
QMean=0.435
P1
:
(6 Cplx.)
RUN0
pKi= 6
275
7.3
2.3
103905354
3DKO
(69%)
+
IHZ_A_2
QMean=0.590
P2
:
(4 Cplx.)
RUN2
pKi= 5.7
276
9.6
2.3
103904418
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P1
:
(4 Cplx.)
RUN1
pKi= 7
277
7.3
2.3
103904348
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P3
:
(3 Cplx.)
RUN0
pKi= 7.5
278
6.6
2.3
103904600
2VWX
(67%)
+
7X4_A_2
QMean=0.605
P1
:
(8 Cplx.)
RUN1
pKi= 7
279
8.7
2.3
103904336
2OFV
(43%)
+
242_D_4
QMean=0.407
P1
:
(6 Cplx.)
RUN1
pKi= 6.9
280
8.7
2.3
103904272
2OFV
(43%)
+
242_D_4
QMean=0.407
P2
:
(4 Cplx.)
RUN1
pKi= 7.2
281
7.8
2.3
103905525
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P1
:
(4 Cplx.)
RUN0
pKi= 7.9
282
6.0
2.3
103904789
4DGG
(43%)
+
I76_B_4
QMean=0.475
P1
:
(9 Cplx.)
RUN2
pKi= 6
283
6.6
2.3
103905622
4AW5
(67%)
+
30K_A_2
QMean=0.570
P1
:
(4 Cplx.)
RUN2
pKi= 6.3
284
8.0
2.3
103904764
3VRZ
(42%)
+
VRZ_B_8
QMean=0.470
P1
:
(3 Cplx.)
RUN1
pKi= 6.1
285
9.4
2.4
103904272
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P3
:
(3 Cplx.)
RUN0
pKi= 7.2
286
7.9
2.4
103904309
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P1
:
(6 Cplx.)
RUN0
pKi= 8
287
7.2
2.4
103904591
2VX1
(67%)
+
7X8_A_2
QMean=0.603
P1
:
(4 Cplx.)
RUN0
pKi= 8.2
288
8.8
2.4
103904764
3VRY
(42%)
+
B43_B_7
QMean=0.453
P2
:
(3 Cplx.)
RUN0
pKi= 6.1
289
6.1
2.4
103905182
2XVD
(67%)
+
AS6_A_2
QMean=0.572
P1
:
(8 Cplx.)
RUN1
pKi= 5.6
290
6.8
2.4
103905632
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P2
:
(3 Cplx.)
RUN2
pKi= 7.5
291
7.4
2.4
103904337
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P2
:
(3 Cplx.)
RUN0
pKi= 5.7
292
6.6
2.4
103904604
2VWY
(67%)
+
7X5_A_2
QMean=0.625
P2
:
(3 Cplx.)
RUN0
pKi= 6.6
293
8.2
2.4
103904336
3B2W
(43%)
+
9NH_A_2
QMean=0.455
P1
:
(3 Cplx.)
RUN0
pKi= 6.9
294
7.7
2.4
103905250
4BB4
(67%)
+
32W_A_2
QMean=0.588
P1
:
(5 Cplx.)
RUN0
pKi= 7
295
7.3
2.4
103905622
4AW5
(67%)
+
30K_A_2
QMean=0.570
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
296
6.9
2.4
103904657
2PL0
(43%)
+
STI_A_2
QMean=0.451
P2
:
(3 Cplx.)
RUN2
pKi= 5.6
297
9.6
2.4
103904283
2C0T
(42%)
+
L3G_A_3
QMean=0.454
P2
:
(4 Cplx.)
RUN0
pKi= 6.1
298
6.7
2.4
103905632
2VX1
(67%)
+
7X8_A_2
QMean=0.603
P1
:
(6 Cplx.)
RUN0
pKi= 7.5
299
6.3
2.4
103904597
2C0O
(42%)
+
L2G_A_3
QMean=0.469
P2
:
(3 Cplx.)
RUN2
pKi= 6.9
300
6.1
2.5
103904595
2VWZ
(67%)
+
7X6_A_2
QMean=0.630
P1
:
(3 Cplx.)
RUN2
pKi= 6.9
301
7.7
2.5
103904596
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(3 Cplx.)
RUN0
pKi= 5.9
302
8.8
2.5
103904741
2OFV
(43%)
+
242_D_4
QMean=0.407
P1
:
(5 Cplx.)
RUN0
pKi= 7.7
303
8.1
2.5
103905075
3VRY
(42%)
+
B43_B_7
QMean=0.453
P1
:
(3 Cplx.)
RUN0
pKi= 5.1
304
5.6
2.5
103905607
3VRY
(42%)
+
B43_B_7
QMean=0.453
P1
:
(5 Cplx.)
RUN1
pKi= 7.3
305
6.6
2.5
103904594
2X9F
(67%)
+
X9F_A_2
QMean=0.600
P1
:
(4 Cplx.)
RUN0
pKi= 6.5
306
7.2
2.5
103905607
3VS4
(42%)
+
VSF_A_5
QMean=0.459
P1
:
(13 Cplx.)
RUN2
pKi= 7.3
307
7.7
2.5
103905554
3VS2
(42%)
+
VSB_A_3
QMean=0.439
P2
:
(3 Cplx.)
RUN0
pKi= 5.7
308
7.2
2.5
103904783
2PL0
(43%)
+
STI_A_2
QMean=0.451
P1
:
(16 Cplx.)
RUN0
pKi= 6.9
309
7.2
2.5
103905428
2Y6O
(74%)
+
1N1_A_2
QMean=0.582
P1
:
(3 Cplx.)
RUN1
pKi= 5.5
310
6.8
2.5
103905354
3VS1
(42%)
+
VSA_A_5
QMean=0.453
P1
:
(5 Cplx.)
RUN0
pKi= 5.7
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.31
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Download values (CSV)
Download 3D files (Mol2 & PDB)
Superimpose Selected Complexes
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