Screening Results : Docking based on all models from entry : BTK_HUMAN
Display Selection :
Study :
All_Studies
RUN0
RUN1
RUN2
VALID0
VALID2
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
103904194
103904196
103904269
103904270
103904271
103904272
103904273
103904274
103904276
103904277
103904280
103904281
103904282
103904283
103904286
103904288
103904291
103904292
103904315
103904317
103904318
103904319
103904322
103904323
103904324
103904325
103904326
103904335
103904336
103904341
103904354
103904402
103904404
103904405
103904406
103904407
103904408
103904417
103904418
103904441
103904442
103904462
103904506
103904590
103904591
103904592
103904593
103904594
103904596
103904597
103904598
103904599
103904600
103904601
103904610
103904636
103904644
103904656
103904684
103904704
103904707
103904739
103904740
103904754
103904781
103904782
103904783
103904784
103904787
103904788
103904796
103904806
103904809
103904818
103904825
103904826
103904854
103904856
103904864
103904867
103904913
103904935
103904953
103904991
103904992
103904993
103905004
103905026
103905055
103905087
103905091
103905092
103905093
103905095
103905107
103905113
103905122
103905159
103905160
103905177
103905213
103905214
103905229
103905233
103905264
103905272
103905275
103905297
103905306
103905309
103905313
103905317
103905326
103905338
103905341
103905345
103905362
103905368
103905397
103905460
103905462
103905486
103905488
103905496
103905499
103905503
103905504
103905525
103905531
103905552
103905555
103905556
103905558
103905560
103905603
103905604
103905607
103905608
103905615
103905632
103905639
103905648
103905655
103905657
103905668
103905673
103905684
4NWM_2P5
4OT5_481
4OT6_2V1
4OTF_2VL
4OTQ_2V2
4OTR_2V3
4RFY_3OU
4RFZ_3OV
4RG0_3P0
4YHF_4C9
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
6.7
0.6
103904783
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P1
:
(15 Cplx.)
RUN1
pKi= 7.2
2
8.9
2.0
103904277
2C0O
(39%)
+
L2G_A_3
QMean=0.553
P1
:
(5 Cplx.)
RUN0
pKi= 6.2
3
7.6
1.6
103904406
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(7 Cplx.)
RUN2
pKi= 6.4
4
7.9
1.7
103904599
3VS3
(39%)
+
VSE_A_3
QMean=0.571
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
5
7.6
1.2
103904196
3PJ3
(99%)
+
04L_A_2
QMean=0.659
P1
:
(11 Cplx.)
RUN1
pKi= 6.9
6
10.2
1.7
103904271
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(4 Cplx.)
RUN1
pKi= 6.9
7
9.7
1.9
103905093
2C0I
(39%)
+
L1G_B_5
QMean=0.566
P1
:
(3 Cplx.)
RUN0
pKi= 7.9
8
5.0
1.4
103905275
3VS7
(39%)
+
KS1_B_6
QMean=0.556
P1
:
(9 Cplx.)
RUN1
pKi= 4.3
9
6.9
2.2
103905560
2C0I
(39%)
+
L1G_A_3
QMean=0.565
P1
:
(3 Cplx.)
RUN2
pKi= 5.4
10
7.7
1.0
103905213
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(6 Cplx.)
RUN1
pKi= 5.3
11
7.5
1.7
103905159
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(5 Cplx.)
RUN1
pKi= 5.2
12
9.6
2.0
103904322
3VS1
(39%)
+
VSA_A_5
QMean=0.541
P1
:
(5 Cplx.)
RUN1
pKi= 7.7
13
7.3
1.2
103904194
3PJ3
(99%)
+
04L_A_2
QMean=0.659
P1
:
(8 Cplx.)
RUN1
pKi= 6.6
14
8.6
2.2
103904462
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(5 Cplx.)
RUN1
pKi= 5.4
15
6.1
1.8
103904594
3GEN
(99%)
+
B43_A_2
QMean=0.672
P1
:
(7 Cplx.)
RUN1
pKi= 6.6
16
7.0
2.0
103905264
3VS3
(39%)
+
VSE_A_3
QMean=0.571
P1
:
(9 Cplx.)
RUN2
pKi= 6.3
17
8.3
1.8
103904335
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(5 Cplx.)
RUN1
pKi= 6.2
18
5.9
1.8
103905087
3VS3
(39%)
+
VSE_A_3
QMean=0.571
P1
:
(9 Cplx.)
RUN2
pKi= 5.3
19
7.5
2.5
103904825
2C0O
(39%)
+
L2G_A_3
QMean=0.553
P1
:
(7 Cplx.)
RUN1
pKi= 5.2
20
8.2
1.7
103905214
2FO0
(42%)
+
P16_A_3
QMean=0.541
P1
:
(3 Cplx.)
RUN2
pKi= 5.4
21
7.6
1.7
103904196
3VS7
(39%)
+
KS1_B_6
QMean=0.556
P1
:
(11 Cplx.)
RUN2
pKi= 6.9
22
9.4
2.2
103904291
2C0O
(39%)
+
L2G_A_3
QMean=0.553
P1
:
(7 Cplx.)
RUN2
pKi= 6.6
23
7.2
2.2
103905091
3QGY
(59%)
+
PQC_A_3
QMean=0.691
P1
:
(11 Cplx.)
RUN1
pKi= 6.2
24
11.8
1.7
103904787
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(11 Cplx.)
RUN0
pKi= 7.5
25
7.7
2.2
103904740
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(3 Cplx.)
RUN0
pKi= 5.3
26
7.3
1.2
103904782
3GEN
(99%)
+
B43_A_2
QMean=0.672
P1
:
(15 Cplx.)
RUN1
pKi= 5.8
27
10.0
1.3
103904784
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(9 Cplx.)
RUN2
pKi= 7.4
28
9.9
1.6
103904281
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(5 Cplx.)
RUN0
pKi= 6.2
29
4.9
1.3
103905275
3VS7
(39%)
+
KS1_B_6
QMean=0.556
P1
:
(7 Cplx.)
RUN2
pKi= 4.3
30
8.7
2.2
103904324
3VS1
(39%)
+
VSA_A_5
QMean=0.541
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
31
6.7
2.1
103905362
3VS3
(39%)
+
VSE_A_3
QMean=0.571
P1
:
(12 Cplx.)
RUN1
pKi= 6.2
32
5.5
1.9
103904864
2FO0
(42%)
+
P16_A_3
QMean=0.541
P1
:
(4 Cplx.)
RUN1
pKi= 5.3
33
6.9
1.6
103904597
2FO0
(42%)
+
P16_A_3
QMean=0.541
P1
:
(3 Cplx.)
RUN1
pKi= 5.6
34
4.9
1.3
103905639
1M52
(48%)
+
P17_A_5
QMean=0.613
P1
:
(5 Cplx.)
RUN1
pKi= 6.8
35
7.6
2.4
103904953
4HCT
(57%)
+
18R_A_2
QMean=0.645
P1
:
(3 Cplx.)
RUN2
pKi= 7.1
36
6.5
1.6
103904993
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(8 Cplx.)
RUN1
pKi= 6.4
37
8.5
1.0
103904992
4HCT
(57%)
+
18R_A_2
QMean=0.645
P1
:
(14 Cplx.)
RUN1
pKi= 7.1
38
6.4
1.4
103904405
1Y57
(39%)
+
MPZ_G_7
QMean=0.577
P1
:
(7 Cplx.)
RUN2
pKi= 5.6
39
6.5
2.2
103905397
3SXS
(67%)
+
PP2_A_2
QMean=0.672
P1
:
(13 Cplx.)
RUN0
pKi= 5.8
40
9.4
2.4
4OT6_2V1
3CS9
(48%)
+
NIL_D_8
QMean=0.598
P1
:
(4 Cplx.)
VALID0
-= -
41
7.4
2.4
103905684
4AOJ
(37%)
+
V4Z_A_4
QMean=0.658
P1
:
(4 Cplx.)
RUN0
pKi= 5.7
42
9.1
1.7
103905093
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(5 Cplx.)
RUN2
pKi= 7.9
43
8.6
1.3
4YHF_4C9
3VS4
(39%)
+
VSF_B_8
QMean=0.564
P1
:
(12 Cplx.)
VALID2
-= -
44
9.2
1.9
103904272
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(7 Cplx.)
RUN2
pKi= 7.6
45
9.9
1.6
103904274
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(3 Cplx.)
RUN0
pKi= 6.2
46
7.0
1.5
103905233
4FYO
(37%)
+
0VF_A_2
QMean=0.617
P1
:
(5 Cplx.)
RUN0
pKi= 6.8
47
6.6
2.5
103904913
3CS9
(48%)
+
NIL_D_8
QMean=0.598
P1
:
(4 Cplx.)
RUN2
pKi= 6.4
48
7.4
1.5
103904782
1M52
(48%)
+
P17_A_5
QMean=0.613
P1
:
(16 Cplx.)
RUN2
pKi= 5.8
49
8.7
1.7
103904269
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(7 Cplx.)
RUN2
pKi= 5.6
50
8.8
1.8
103904274
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
51
9.0
1.5
103905345
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
52
8.7
1.9
103904754
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(3 Cplx.)
RUN1
pKi= 6.3
53
6.8
2.0
103904913
1IEP
(48%)
+
STI_A_9
QMean=0.579
P1
:
(3 Cplx.)
RUN1
pKi= 6.4
54
8.1
2.4
103905555
1M52
(48%)
+
P17_A_5
QMean=0.613
P1
:
(3 Cplx.)
RUN1
pKi= 7.7
55
10.2
2.4
103904418
2C0I
(39%)
+
L1G_B_5
QMean=0.566
P1
:
(3 Cplx.)
RUN0
pKi= 7
56
7.1
2.2
103905095
3CS9
(48%)
+
NIL_D_8
QMean=0.598
P1
:
(16 Cplx.)
RUN2
pKi= 6.9
57
8.3
2.5
103904796
3CS9
(48%)
+
NIL_D_8
QMean=0.598
P1
:
(6 Cplx.)
RUN1
pKi= 8
58
6.7
1.3
103905525
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(3 Cplx.)
RUN2
pKi= 6.5
59
8.4
1.7
103904286
3CS9
(48%)
+
NIL_D_8
QMean=0.598
P1
:
(5 Cplx.)
RUN1
pKi= 6.1
60
6.8
1.5
103905272
3V5L
(58%)
+
0G1_C_8
QMean=0.672
P1
:
(5 Cplx.)
RUN1
pKi= 6.2
61
7.4
2.2
103905615
3VS0
(39%)
+
VS0_B_8
QMean=0.550
P1
:
(9 Cplx.)
RUN0
pKi= 5.9
62
8.9
1.4
103904324
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
63
9.6
1.7
103904315
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(7 Cplx.)
RUN0
pKi= 7.6
64
6.1
1.9
103904864
1M52
(48%)
+
P17_A_5
QMean=0.613
P1
:
(4 Cplx.)
RUN2
pKi= 5.3
65
10.1
1.5
103904754
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(4 Cplx.)
RUN2
pKi= 6.3
66
9.1
1.3
103904280
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(7 Cplx.)
RUN1
pKi= 6.4
67
7.2
1.2
103904818
2C0O
(39%)
+
L2G_A_3
QMean=0.553
P1
:
(4 Cplx.)
RUN2
pKi= 5.6
68
7.8
2.2
103904739
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
69
9.7
2.1
103904323
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(4 Cplx.)
RUN2
pKi= 7.2
70
8.4
1.5
103904286
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(7 Cplx.)
RUN2
pKi= 6.1
71
6.7
1.3
103904593
3PJ1
(99%)
+
LHL_A_2
QMean=0.677
P1
:
(5 Cplx.)
RUN2
pKi= 6.3
72
7.5
1.6
103904818
2C0O
(39%)
+
L2G_A_3
QMean=0.553
P1
:
(9 Cplx.)
RUN1
pKi= 5.6
73
9.6
1.6
103904317
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(5 Cplx.)
RUN2
pKi= 7.1
74
6.2
2.4
103904610
3PIX
(99%)
+
027_A_2
QMean=0.633
P1
:
(4 Cplx.)
RUN1
pKi= 6.6
75
7.1
2.4
103904600
3T9T
(58%)
+
IAQ_A_2
QMean=0.667
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
76
7.2
0.7
103904783
3VS4
(39%)
+
VSF_B_8
QMean=0.564
P1
:
(13 Cplx.)
RUN0
pKi= 7.2
77
5.6
1.5
103904935
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(4 Cplx.)
RUN2
pKi= 5.4
78
5.9
2.3
103905229
1FPU
(48%)
+
PRC_D_4
QMean=0.570
P1
:
(6 Cplx.)
RUN0
pKi= 4.3
79
6.4
2.4
103905488
3T9T
(58%)
+
IAQ_A_2
QMean=0.667
P1
:
(4 Cplx.)
RUN1
pKi= 7
80
3.8
2.2
103904656
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P1
:
(8 Cplx.)
RUN2
pKi= 4.1
81
7.1
2.2
103904292
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P1
:
(3 Cplx.)
RUN2
pKi= 7.9
82
8.6
2.1
103904271
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(3 Cplx.)
RUN2
pKi= 6.9
83
9.9
2.0
103904272
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(5 Cplx.)
RUN0
pKi= 7.6
84
7.3
1.4
103904194
3PJ3
(99%)
+
04L_A_2
QMean=0.659
P1
:
(5 Cplx.)
RUN0
pKi= 6.6
85
5.2
0.9
103904854
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(11 Cplx.)
RUN1
pKi= 4.5
86
7.9
1.7
103904591
3PJ1
(99%)
+
LHL_A_2
QMean=0.677
P1
:
(4 Cplx.)
RUN2
pKi= 6.9
87
6.8
1.2
103904636
3PJ2
(99%)
+
04K_A_2
QMean=0.650
P1
:
(5 Cplx.)
RUN1
pKi= 5.5
88
9.7
2.2
103904341
3VS1
(39%)
+
VSA_A_5
QMean=0.541
P1
:
(6 Cplx.)
RUN1
pKi= 7.4
89
8.9
2.4
103904408
3PJ3
(99%)
+
04L_A_2
QMean=0.659
P1
:
(3 Cplx.)
RUN0
pKi= 5.5
90
6.9
0.3
103904783
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(16 Cplx.)
RUN2
pKi= 7.2
91
7.4
1.6
103904319
3V8T
(58%)
+
477_B_4
QMean=0.660
P1
:
(5 Cplx.)
RUN0
pKi= 6.1
92
7.7
2.1
103905607
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P1
:
(16 Cplx.)
RUN0
pKi= 6.7
93
6.0
2.0
103905604
3V5L
(58%)
+
0G1_C_8
QMean=0.672
P1
:
(4 Cplx.)
RUN2
pKi= 5.9
94
6.6
0.9
103904590
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(6 Cplx.)
RUN2
pKi= 6
95
8.6
1.5
103904856
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(9 Cplx.)
RUN1
pKi= 6.1
96
9.6
1.9
103904325
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(4 Cplx.)
RUN1
pKi= 6.9
97
9.0
2.4
103905160
3OCT
(99%)
+
1N1_A_2
QMean=0.688
P1
:
(6 Cplx.)
RUN0
pKi= 6.2
98
6.5
1.2
103905460
1M52
(48%)
+
P17_A_5
QMean=0.613
P1
:
(8 Cplx.)
RUN1
pKi= 5.3
99
5.0
0.9
103904854
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(12 Cplx.)
RUN2
pKi= 4.5
100
6.5
2.3
103905368
3SXS
(67%)
+
PP2_A_2
QMean=0.672
P1
:
(10 Cplx.)
RUN1
pKi= 6.1
101
7.6
1.6
103905092
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(9 Cplx.)
RUN1
pKi= 6
102
11.2
1.0
103904787
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(8 Cplx.)
RUN1
pKi= 7.5
103
5.9
2.4
103905655
3K54
(99%)
+
1N1_A_2
QMean=0.675
P1
:
(7 Cplx.)
RUN2
pKi= 5.4
104
8.2
2.2
103904288
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(6 Cplx.)
RUN1
pKi= 7.5
105
11.9
1.6
103904788
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(10 Cplx.)
RUN0
pKi= 7.5
106
7.3
2.0
103904596
4FYO
(37%)
+
0VF_A_2
QMean=0.617
P1
:
(5 Cplx.)
RUN1
pKi= 6.8
107
7.1
1.9
103905488
2C0O
(39%)
+
L2G_A_3
QMean=0.553
P1
:
(3 Cplx.)
RUN2
pKi= 7
108
9.3
1.7
103904281
3CS9
(48%)
+
NIL_D_8
QMean=0.598
P1
:
(7 Cplx.)
RUN1
pKi= 6.2
109
9.1
1.9
103904286
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(4 Cplx.)
RUN0
pKi= 6.1
110
6.5
2.3
103905504
3K5V
(48%)
+
STI_B_7
QMean=0.594
P1
:
(3 Cplx.)
RUN0
pKi= 5.4
111
5.9
2.3
103904825
4HCU
(58%)
+
13L_A_2
QMean=0.638
P1
:
(3 Cplx.)
RUN2
pKi= 5.2
112
9.8
2.1
103904326
3VS1
(39%)
+
VSA_A_5
QMean=0.541
P1
:
(8 Cplx.)
RUN0
pKi= 7.7
113
6.3
1.6
103904740
3T9T
(58%)
+
IAQ_A_2
QMean=0.667
P1
:
(4 Cplx.)
RUN2
pKi= 5.3
114
6.6
2.5
103905113
2F4J
(48%)
+
VX6_B_2
QMean=0.605
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
115
7.6
1.5
103904591
3QGY
(59%)
+
PQC_A_3
QMean=0.691
P1
:
(4 Cplx.)
RUN1
pKi= 6.9
116
7.5
1.5
103905092
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P1
:
(10 Cplx.)
RUN2
pKi= 6
117
4.1
2.2
103905462
3GEN
(99%)
+
B43_A_2
QMean=0.672
P1
:
(7 Cplx.)
RUN2
pKi= 4.3
118
7.5
2.2
103905684
1Y57
(39%)
+
MPZ_G_7
QMean=0.577
P1
:
(3 Cplx.)
RUN2
pKi= 5.7
119
9.3
2.1
103904288
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(8 Cplx.)
RUN0
pKi= 7.5
120
7.0
2.0
103905460
1OPL
(42%)
+
P16_B_5
QMean=0.576
P1
:
(8 Cplx.)
RUN0
pKi= 5.3
121
8.1
2.1
103905608
3K5V
(48%)
+
STI_B_7
QMean=0.594
P1
:
(4 Cplx.)
RUN0
pKi= 6.7
122
6.9
2.3
103905604
4AOJ
(37%)
+
V4Z_A_4
QMean=0.658
P1
:
(7 Cplx.)
RUN0
pKi= 5.9
123
6.3
1.7
103904404
2F4J
(48%)
+
VX6_B_2
QMean=0.605
P1
:
(3 Cplx.)
RUN1
pKi= 5.8
124
5.7
1.6
103905503
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(6 Cplx.)
RUN1
pKi= 5.6
125
5.4
1.8
103905087
3VS7
(39%)
+
KS1_B_6
QMean=0.556
P1
:
(5 Cplx.)
RUN1
pKi= 5.3
126
4.8
1.2
103905552
2C0O
(39%)
+
L2G_A_3
QMean=0.553
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
127
8.1
1.9
103904796
1M52
(48%)
+
P17_A_5
QMean=0.613
P1
:
(7 Cplx.)
RUN2
pKi= 8
128
9.5
1.8
103904354
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(6 Cplx.)
RUN1
pKi= 7.5
129
8.9
1.4
103904322
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(6 Cplx.)
RUN2
pKi= 7.7
130
8.8
1.7
103904592
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
131
6.6
1.5
103905272
3PIX
(99%)
+
027_A_2
QMean=0.633
P1
:
(4 Cplx.)
RUN2
pKi= 6.2
132
9.9
2.0
103905345
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(3 Cplx.)
RUN0
pKi= 5.4
133
7.2
2.1
103904684
1IEP
(48%)
+
STI_A_9
QMean=0.579
P1
:
(3 Cplx.)
RUN0
pKi= 5.7
134
6.9
1.8
103904405
4FYO
(37%)
+
0VF_A_2
QMean=0.617
P1
:
(5 Cplx.)
RUN0
pKi= 5.6
135
7.0
2.5
103904594
3VS0
(39%)
+
VS0_B_8
QMean=0.550
P1
:
(6 Cplx.)
RUN0
pKi= 6.6
136
9.6
1.8
103904282
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(6 Cplx.)
RUN2
pKi= 5.7
137
5.9
1.6
103905368
3VS0
(39%)
+
VS0_B_8
QMean=0.550
P1
:
(6 Cplx.)
RUN0
pKi= 6.1
138
7.3
2.1
103905603
3VS5
(39%)
+
VSG_A_3
QMean=0.553
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
139
8.9
0.8
103904991
3GEN
(99%)
+
B43_A_2
QMean=0.672
P1
:
(8 Cplx.)
RUN2
pKi= 9.1
140
11.9
1.2
103904787
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(8 Cplx.)
RUN2
pKi= 7.5
141
7.1
2.1
103905615
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(11 Cplx.)
RUN2
pKi= 5.9
142
7.1
0.9
103904194
3PJ3
(99%)
+
04L_A_2
QMean=0.659
P1
:
(7 Cplx.)
RUN2
pKi= 6.6
143
5.6
2.5
103904707
1OPL
(42%)
+
P16_B_5
QMean=0.576
P1
:
(7 Cplx.)
RUN0
pKi= 4.3
144
8.4
2.2
103905326
1FPU
(48%)
+
PRC_D_4
QMean=0.570
P1
:
(3 Cplx.)
RUN1
pKi= 5.6
145
7.0
1.8
103905362
3VS3
(39%)
+
VSE_A_3
QMean=0.571
P1
:
(9 Cplx.)
RUN0
pKi= 6.2
146
11.0
0.7
103905313
2FO0
(42%)
+
P16_A_3
QMean=0.541
P1
:
(4 Cplx.)
RUN0
pKi= 8
147
7.1
0.9
103904781
3VRY
(39%)
+
B43_B_7
QMean=0.567
P1
:
(13 Cplx.)
RUN0
pKi= 6.2
148
8.7
1.5
103904462
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(3 Cplx.)
RUN2
pKi= 5.4
149
6.1
1.2
103904593
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(5 Cplx.)
RUN1
pKi= 6.3
150
9.6
1.6
103904272
3VS1
(39%)
+
VSA_A_5
QMean=0.541
P1
:
(6 Cplx.)
RUN1
pKi= 7.6
151
6.5
1.4
103905558
1Y57
(39%)
+
MPZ_G_7
QMean=0.577
P1
:
(5 Cplx.)
RUN1
pKi= 6.3
152
9.7
1.9
103904993
3VS7
(39%)
+
KS1_B_6
QMean=0.556
P1
:
(11 Cplx.)
RUN0
pKi= 6.4
153
9.7
1.5
103905093
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(4 Cplx.)
RUN1
pKi= 7.9
154
8.4
1.7
103904282
2C0I
(39%)
+
L1G_A_3
QMean=0.565
P1
:
(5 Cplx.)
RUN1
pKi= 5.7
155
11.2
1.0
103904788
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(6 Cplx.)
RUN1
pKi= 7.5
156
8.8
1.7
103904277
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
157
8.2
1.5
103904336
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(7 Cplx.)
RUN2
pKi= 7.2
158
5.0
2.4
103904707
3PJ3
(99%)
+
04L_A_2
QMean=0.659
P1
:
(6 Cplx.)
RUN1
pKi= 4.3
159
8.9
1.6
103904269
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(6 Cplx.)
RUN1
pKi= 5.6
160
8.5
1.7
103904315
4HCU
(58%)
+
13L_A_2
QMean=0.638
P1
:
(4 Cplx.)
RUN2
pKi= 7.6
161
8.4
2.4
103904598
3VRY
(39%)
+
B43_B_7
QMean=0.567
P1
:
(4 Cplx.)
RUN0
pKi= 7.3
162
5.6
1.7
103904935
3PJ2
(99%)
+
04K_A_2
QMean=0.650
P1
:
(8 Cplx.)
RUN1
pKi= 5.4
163
6.1
1.2
103905004
1Y57
(39%)
+
MPZ_G_7
QMean=0.577
P1
:
(5 Cplx.)
RUN2
pKi= 6.8
164
2.9
1.2
103905297
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(5 Cplx.)
RUN2
pKi= 4.5
165
9.4
1.5
103904318
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(7 Cplx.)
RUN2
pKi= 6.6
166
9.2
1.4
103904274
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(3 Cplx.)
RUN2
pKi= 6.2
167
7.1
2.4
103904739
4FYO
(37%)
+
0VF_A_2
QMean=0.617
P1
:
(4 Cplx.)
RUN0
pKi= 6.4
168
9.5
2.0
103904317
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(5 Cplx.)
RUN0
pKi= 7.1
169
8.5
1.5
103904992
3VS6
(39%)
+
VSH_B_10
QMean=0.557
P1
:
(13 Cplx.)
RUN2
pKi= 7.1
170
10.5
2.2
103904283
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(9 Cplx.)
RUN0
pKi= 6.8
171
7.3
2.3
103905496
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(4 Cplx.)
RUN1
pKi= 6.1
172
7.1
2.4
103905113
3CS9
(48%)
+
NIL_D_8
QMean=0.598
P1
:
(7 Cplx.)
RUN1
pKi= 6.1
173
7.5
1.3
103904592
2FO0
(42%)
+
P16_A_3
QMean=0.541
P1
:
(5 Cplx.)
RUN1
pKi= 6.8
174
7.5
1.7
103905160
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
175
4.8
1.5
103904405
3QGY
(59%)
+
PQC_A_3
QMean=0.691
P1
:
(3 Cplx.)
RUN1
pKi= 5.6
176
10.3
2.0
103904354
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(9 Cplx.)
RUN0
pKi= 7.5
177
7.8
1.2
103904335
2C0O
(39%)
+
L2G_A_3
QMean=0.553
P1
:
(6 Cplx.)
RUN2
pKi= 6.2
178
6.1
2.3
103905317
4HCV
(57%)
+
13J_A_2
QMean=0.660
P1
:
(4 Cplx.)
RUN2
pKi= 5.4
179
8.3
1.1
103904644
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(5 Cplx.)
RUN0
pKi= 5.9
180
8.9
2.0
103904273
2C0I
(39%)
+
L1G_A_3
QMean=0.565
P1
:
(7 Cplx.)
RUN1
pKi= 7
181
7.6
1.1
103905272
4AOJ
(37%)
+
V4Z_A_4
QMean=0.658
P1
:
(4 Cplx.)
RUN0
pKi= 6.2
182
6.0
2.0
103905122
3SXS
(67%)
+
PP2_A_2
QMean=0.672
P1
:
(4 Cplx.)
RUN1
pKi= 4.2
183
10.6
2.4
103904270
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(7 Cplx.)
RUN0
pKi= 6.5
184
9.6
1.6
103904281
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
185
9.6
1.5
103904273
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(5 Cplx.)
RUN2
pKi= 7
186
7.3
2.2
103904781
1FPU
(48%)
+
PRC_D_4
QMean=0.570
P1
:
(16 Cplx.)
RUN2
pKi= 6.2
187
7.3
1.9
103905091
2FO0
(42%)
+
P16_A_3
QMean=0.541
P1
:
(15 Cplx.)
RUN2
pKi= 6.2
188
6.3
1.7
4OT6_2V1
4HCV
(57%)
+
13J_A_2
QMean=0.660
P1
:
(3 Cplx.)
VALID2
-= -
189
7.5
2.2
103904636
4FYO
(37%)
+
0VF_A_2
QMean=0.617
P1
:
(4 Cplx.)
RUN0
pKi= 5.5
190
6.9
1.9
103905684
2FO0
(42%)
+
P16_A_3
QMean=0.541
P1
:
(3 Cplx.)
RUN1
pKi= 5.7
191
6.4
1.9
103905397
3SXS
(67%)
+
PP2_A_2
QMean=0.672
P1
:
(12 Cplx.)
RUN2
pKi= 5.8
192
9.2
1.6
103904992
3VRY
(39%)
+
B43_B_7
QMean=0.567
P1
:
(12 Cplx.)
RUN0
pKi= 7.1
193
6.6
1.7
103904402
4FYO
(37%)
+
0VF_A_2
QMean=0.617
P1
:
(4 Cplx.)
RUN1
pKi= 7.6
194
7.8
2.2
103905555
4HCV
(57%)
+
13J_A_2
QMean=0.660
P1
:
(3 Cplx.)
RUN2
pKi= 7.7
195
7.9
1.4
103904277
2C0O
(39%)
+
L2G_A_3
QMean=0.553
P1
:
(4 Cplx.)
RUN1
pKi= 6.2
196
5.4
1.5
103905552
3VS3
(39%)
+
VSE_A_3
QMean=0.571
P1
:
(7 Cplx.)
RUN1
pKi= 5.8
197
7.4
2.5
103904636
3T9T
(58%)
+
IAQ_A_2
QMean=0.667
P1
:
(8 Cplx.)
RUN2
pKi= 5.5
198
10.6
1.7
103904283
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(5 Cplx.)
RUN2
pKi= 6.8
199
10.1
1.8
103904354
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(8 Cplx.)
RUN2
pKi= 7.5
200
7.4
2.4
103905607
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P1
:
(10 Cplx.)
RUN2
pKi= 6.7
201
6.8
2.4
103905648
3SXR
(67%)
+
1N1_B_5
QMean=0.671
P1
:
(4 Cplx.)
RUN0
pKi= 5.8
202
8.0
2.3
103904818
3VS0
(39%)
+
VS0_B_8
QMean=0.550
P1
:
(3 Cplx.)
RUN0
pKi= 5.6
203
9.1
1.5
103904856
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(6 Cplx.)
RUN0
pKi= 6.1
204
6.9
1.8
103905362
3VS3
(39%)
+
VSE_A_3
QMean=0.571
P1
:
(9 Cplx.)
RUN2
pKi= 6.2
205
9.6
1.4
103904319
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(7 Cplx.)
RUN2
pKi= 6.1
206
8.3
2.4
4OT5_481
3VS0
(39%)
+
VS0_B_8
QMean=0.550
P1
:
(3 Cplx.)
VALID2
-= -
207
9.1
1.6
103904341
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(7 Cplx.)
RUN2
pKi= 7.4
208
7.0
1.9
103905326
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P1
:
(3 Cplx.)
RUN2
pKi= 5.6
209
9.4
1.7
103904280
3VS1
(39%)
+
VSA_A_5
QMean=0.541
P1
:
(5 Cplx.)
RUN0
pKi= 6.4
210
7.3
1.8
103904406
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
211
3.7
1.9
103905297
2FO0
(42%)
+
P16_A_3
QMean=0.541
P1
:
(5 Cplx.)
RUN1
pKi= 4.5
212
10.2
2.2
103904322
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(9 Cplx.)
RUN0
pKi= 7.7
213
8.8
2.4
103905556
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(3 Cplx.)
RUN2
pKi= 8.5
214
6.4
2.5
103904441
2C0I
(39%)
+
L1G_A_3
QMean=0.565
P1
:
(4 Cplx.)
RUN1
pKi= 5.5
215
5.9
2.0
4OTQ_2V2
3CS9
(48%)
+
NIL_D_8
QMean=0.598
P1
:
(5 Cplx.)
VALID2
-= -
216
10.3
1.6
103904282
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(9 Cplx.)
RUN0
pKi= 5.7
217
8.7
1.5
103904991
3VS7
(39%)
+
KS1_B_6
QMean=0.556
P1
:
(16 Cplx.)
RUN1
pKi= 9.1
218
8.1
1.9
103904596
3PJ2
(99%)
+
04K_A_2
QMean=0.650
P1
:
(3 Cplx.)
RUN2
pKi= 6.8
219
6.2
2.1
103905229
1IEP
(48%)
+
STI_A_9
QMean=0.579
P1
:
(7 Cplx.)
RUN2
pKi= 4.3
220
9.9
2.1
103904323
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(4 Cplx.)
RUN1
pKi= 7.2
221
8.8
2.3
103904336
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(6 Cplx.)
RUN0
pKi= 7.2
222
6.7
2.1
103905648
3VS6
(39%)
+
VSH_B_10
QMean=0.557
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
223
8.1
1.6
103904599
4FYO
(37%)
+
0VF_A_2
QMean=0.617
P1
:
(4 Cplx.)
RUN0
pKi= 6.4
224
10.3
2.3
103904341
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(8 Cplx.)
RUN0
pKi= 7.4
225
7.2
1.4
103905233
3VS1
(39%)
+
VSA_A_5
QMean=0.541
P1
:
(7 Cplx.)
RUN2
pKi= 6.8
226
7.3
1.6
103904276
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(7 Cplx.)
RUN2
pKi= 6.3
227
7.5
1.6
103904276
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(7 Cplx.)
RUN1
pKi= 6.3
228
9.6
1.9
103904318
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(8 Cplx.)
RUN1
pKi= 6.6
229
8.9
1.9
103904740
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(5 Cplx.)
RUN1
pKi= 5.3
230
9.5
1.6
103904326
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(7 Cplx.)
RUN2
pKi= 7.7
231
7.5
2.0
103905525
3T9T
(58%)
+
IAQ_A_2
QMean=0.667
P1
:
(11 Cplx.)
RUN0
pKi= 6.5
232
3.7
2.3
103904656
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P1
:
(6 Cplx.)
RUN1
pKi= 4.1
233
8.0
1.9
103904336
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(5 Cplx.)
RUN1
pKi= 7.2
234
6.7
1.2
103905460
1M52
(48%)
+
P17_A_5
QMean=0.613
P1
:
(9 Cplx.)
RUN2
pKi= 5.3
235
9.2
1.7
103905341
2C0I
(39%)
+
L1G_B_5
QMean=0.566
P1
:
(4 Cplx.)
RUN0
pKi= 5.4
236
7.8
1.9
103904782
3VRY
(39%)
+
B43_B_7
QMean=0.567
P1
:
(16 Cplx.)
RUN0
pKi= 5.8
237
6.2
1.6
103904601
3PJ2
(99%)
+
04K_A_2
QMean=0.650
P1
:
(3 Cplx.)
RUN2
pKi= 6.3
238
9.2
1.9
103904288
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(6 Cplx.)
RUN2
pKi= 7.5
239
5.8
2.4
103904601
3VS6
(39%)
+
VSH_B_10
QMean=0.557
P1
:
(4 Cplx.)
RUN1
pKi= 6.3
240
9.2
1.5
4YHF_4C9
3VS3
(39%)
+
VSE_A_3
QMean=0.571
P1
:
(9 Cplx.)
VALID0
-= -
241
11.8
1.3
103904788
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P1
:
(10 Cplx.)
RUN2
pKi= 7.5
242
7.7
2.2
103905496
3VS5
(39%)
+
VSG_A_3
QMean=0.553
P1
:
(3 Cplx.)
RUN2
pKi= 6.1
243
3.7
2.2
103905462
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P1
:
(11 Cplx.)
RUN1
pKi= 4.3
244
10.2
1.2
103904991
3VRY
(39%)
+
B43_B_7
QMean=0.567
P1
:
(6 Cplx.)
RUN0
pKi= 9.1
245
7.8
1.9
103904196
3VS0
(39%)
+
VS0_B_8
QMean=0.550
P1
:
(8 Cplx.)
RUN0
pKi= 6.9
246
8.7
2.3
103905673
3VS5
(39%)
+
VSG_A_3
QMean=0.553
P1
:
(3 Cplx.)
RUN2
pKi= 5.2
247
8.0
2.4
103904276
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P1
:
(6 Cplx.)
RUN0
pKi= 6.3
248
8.0
0.7
103905213
2F4J
(48%)
+
VX6_B_2
QMean=0.605
P1
:
(6 Cplx.)
RUN2
pKi= 5.3
249
8.6
1.0
103905213
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(6 Cplx.)
RUN0
pKi= 5.3
250
7.2
2.4
103904684
3VS7
(39%)
+
KS1_B_6
QMean=0.556
P1
:
(4 Cplx.)
RUN2
pKi= 5.7
251
8.0
2.2
103905560
4FYO
(37%)
+
0VF_A_2
QMean=0.617
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
252
5.2
1.0
103904854
3VS4
(39%)
+
VSF_B_8
QMean=0.564
P1
:
(8 Cplx.)
RUN0
pKi= 4.5
253
8.9
1.6
103904280
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P1
:
(7 Cplx.)
RUN2
pKi= 6.4
254
10.9
0.8
103905313
2FO0
(42%)
+
P16_A_3
QMean=0.541
P1
:
(6 Cplx.)
RUN2
pKi= 8
255
7.3
1.4
103905648
3VS6
(39%)
+
VSH_B_10
QMean=0.557
P1
:
(4 Cplx.)
RUN1
pKi= 5.8
256
5.5
1.8
103905504
2FO0
(42%)
+
P16_A_3
QMean=0.541
P1
:
(3 Cplx.)
RUN1
pKi= 5.4
257
8.3
2.3
103905092
1OPL
(42%)
+
P16_B_5
QMean=0.576
P1
:
(12 Cplx.)
RUN0
pKi= 6
258
6.9
2.4
103905615
3PJ2
(99%)
+
04K_A_2
QMean=0.650
P1
:
(12 Cplx.)
RUN1
pKi= 5.9
259
6.7
1.0
103904781
3VS5
(39%)
+
VSG_A_3
QMean=0.553
P1
:
(16 Cplx.)
RUN1
pKi= 6.2
260
6.5
1.1
103904610
3PIY
(99%)
+
585_A_2
QMean=0.642
P1
:
(4 Cplx.)
RUN2
pKi= 6.6
261
4.9
1.8
103904506
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P1
:
(6 Cplx.)
RUN1
pKi= 4
262
9.1
2.0
103904269
3VS1
(39%)
+
VSA_A_5
QMean=0.541
P2
:
(5 Cplx.)
RUN0
pKi= 5.6
263
6.0
2.3
103905264
4FYO
(37%)
+
0VF_A_2
QMean=0.617
P2
:
(3 Cplx.)
RUN1
pKi= 6.3
264
8.6
0.7
103904993
4HCT
(57%)
+
18R_A_2
QMean=0.645
P2
:
(3 Cplx.)
RUN2
pKi= 6.4
265
8.1
1.5
103904592
2FO0
(42%)
+
P16_A_3
QMean=0.541
P2
:
(3 Cplx.)
RUN2
pKi= 6.8
266
6.2
1.2
103905004
3PJ2
(99%)
+
04K_A_2
QMean=0.650
P2
:
(3 Cplx.)
RUN1
pKi= 6.8
267
7.3
2.0
103905338
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P2
:
(4 Cplx.)
RUN1
pKi= 5.9
268
6.7
1.9
103905604
2FO0
(42%)
+
P16_A_3
QMean=0.541
P2
:
(4 Cplx.)
RUN1
pKi= 5.9
269
6.9
1.3
103904404
3QGY
(59%)
+
PQC_A_3
QMean=0.691
P2
:
(4 Cplx.)
RUN0
pKi= 5.8
270
4.2
2.2
103904867
2FO0
(42%)
+
P16_A_3
QMean=0.541
P2
:
(6 Cplx.)
RUN1
pKi= 4.2
271
7.5
2.2
103905531
3PJ3
(99%)
+
04L_A_2
QMean=0.659
P2
:
(4 Cplx.)
RUN1
pKi= 7.1
272
10.0
1.5
103904754
3VS1
(39%)
+
VSA_A_5
QMean=0.541
P2
:
(4 Cplx.)
RUN0
pKi= 6.3
273
7.4
1.8
103905160
3PJ2
(99%)
+
04K_A_2
QMean=0.650
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
274
8.2
2.5
4OT5_481
2C0O
(39%)
+
L2G_A_3
QMean=0.553
P2
:
(3 Cplx.)
VALID0
-= -
275
9.2
2.2
103904324
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P2
:
(3 Cplx.)
RUN0
pKi= 6.2
276
3.8
2.0
103904442
3V5L
(58%)
+
0G1_C_8
QMean=0.672
P2
:
(6 Cplx.)
RUN1
pKi= 4.5
277
7.9
0.9
103904644
3PIY
(99%)
+
585_A_2
QMean=0.642
P2
:
(4 Cplx.)
RUN2
pKi= 5.9
278
9.4
1.6
103904317
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P2
:
(4 Cplx.)
RUN1
pKi= 7.1
279
9.2
1.8
103904283
2C0I
(39%)
+
L1G_A_3
QMean=0.565
P2
:
(4 Cplx.)
RUN1
pKi= 6.8
280
10.3
2.2
103904407
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P2
:
(3 Cplx.)
RUN2
pKi= 5.7
281
9.5
1.9
103904326
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P2
:
(4 Cplx.)
RUN1
pKi= 7.7
282
11.7
1.6
103904270
3CS9
(48%)
+
NIL_D_8
QMean=0.598
P2
:
(3 Cplx.)
RUN2
pKi= 6.5
283
7.1
2.1
103905338
3GEN
(99%)
+
B43_A_2
QMean=0.672
P2
:
(3 Cplx.)
RUN0
pKi= 5.9
284
8.4
1.5
103904319
2FO0
(42%)
+
P16_A_3
QMean=0.541
P2
:
(4 Cplx.)
RUN1
pKi= 6.1
285
8.3
1.5
103904596
3PIY
(99%)
+
585_A_2
QMean=0.642
P2
:
(3 Cplx.)
RUN0
pKi= 6.8
286
7.7
2.4
103904826
3VS7
(39%)
+
KS1_B_6
QMean=0.556
P2
:
(3 Cplx.)
RUN1
pKi= 5.3
287
5.3
2.4
103904935
4FYO
(37%)
+
0VF_A_2
QMean=0.617
P2
:
(3 Cplx.)
RUN0
pKi= 5.4
288
5.8
1.7
103905368
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P2
:
(3 Cplx.)
RUN2
pKi= 6.1
289
9.0
2.2
103904292
1IEP
(48%)
+
STI_A_9
QMean=0.579
P2
:
(3 Cplx.)
RUN1
pKi= 7.9
290
4.7
1.7
103905317
4HCU
(58%)
+
13L_A_2
QMean=0.638
P2
:
(3 Cplx.)
RUN1
pKi= 5.4
291
9.6
2.1
103904291
2C0O
(39%)
+
L2G_A_3
QMean=0.553
P2
:
(4 Cplx.)
RUN0
pKi= 6.6
292
7.5
0.6
103904644
3PIY
(99%)
+
585_A_2
QMean=0.642
P2
:
(3 Cplx.)
RUN1
pKi= 5.9
293
5.7
1.4
103905639
1M52
(48%)
+
P17_A_5
QMean=0.613
P2
:
(4 Cplx.)
RUN2
pKi= 6.8
294
11.1
1.8
103904270
3CS9
(48%)
+
NIL_D_8
QMean=0.598
P2
:
(5 Cplx.)
RUN1
pKi= 6.5
295
6.7
1.1
103904404
3QGY
(59%)
+
PQC_A_3
QMean=0.691
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
296
7.5
1.5
103905214
2F4J
(48%)
+
VX6_B_2
QMean=0.605
P2
:
(3 Cplx.)
RUN1
pKi= 5.4
297
3.2
2.2
103905486
3GEN
(99%)
+
B43_A_2
QMean=0.672
P2
:
(4 Cplx.)
RUN1
pKi= 5.3
298
4.8
2.1
103904704
3V5J
(58%)
+
0F2_A_3
QMean=0.663
P2
:
(3 Cplx.)
RUN1
pKi= 5.5
299
8.3
2.2
103904826
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P2
:
(3 Cplx.)
RUN2
pKi= 5.3
300
4.6
2.3
103904867
2FO0
(42%)
+
P16_A_3
QMean=0.541
P2
:
(5 Cplx.)
RUN2
pKi= 4.2
301
6.6
1.3
103904593
3PJ1
(99%)
+
LHL_A_2
QMean=0.677
P2
:
(3 Cplx.)
RUN0
pKi= 6.3
302
6.5
2.1
103905504
2FO0
(42%)
+
P16_A_3
QMean=0.541
P2
:
(3 Cplx.)
RUN2
pKi= 5.4
303
8.8
2.4
103904315
1IEP
(48%)
+
STI_A_9
QMean=0.579
P2
:
(5 Cplx.)
RUN1
pKi= 7.6
304
6.2
2.3
103905655
3CS9
(48%)
+
NIL_D_8
QMean=0.598
P2
:
(3 Cplx.)
RUN1
pKi= 5.4
305
8.3
1.9
103905341
4HCT
(57%)
+
18R_A_2
QMean=0.645
P2
:
(3 Cplx.)
RUN1
pKi= 5.4
306
6.8
1.9
103905397
3SXS
(67%)
+
PP2_A_2
QMean=0.672
P2
:
(6 Cplx.)
RUN1
pKi= 5.8
307
5.6
2.5
103905668
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P2
:
(3 Cplx.)
RUN2
pKi= 6.4
308
7.8
2.5
103904292
3K5V
(48%)
+
STI_A_4
QMean=0.600
P2
:
(3 Cplx.)
RUN0
pKi= 7.9
309
5.7
1.4
103905122
3PJ3
(99%)
+
04L_A_2
QMean=0.659
P2
:
(3 Cplx.)
RUN2
pKi= 4.2
310
10.3
2.3
103905673
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P2
:
(5 Cplx.)
RUN0
pKi= 5.2
311
6.5
2.0
103905558
3K54
(99%)
+
1N1_A_2
QMean=0.675
P2
:
(3 Cplx.)
RUN2
pKi= 6.3
312
7.8
1.9
103905531
4FYO
(37%)
+
0VF_A_2
QMean=0.617
P2
:
(5 Cplx.)
RUN2
pKi= 7.1
313
6.7
1.3
103905055
3VS0
(39%)
+
VS0_A_5
QMean=0.559
P2
:
(5 Cplx.)
RUN2
pKi= 6.5
314
7.3
2.2
103905326
3VRY
(39%)
+
B43_B_7
QMean=0.567
P2
:
(4 Cplx.)
RUN0
pKi= 5.6
315
8.6
1.5
103904856
3VRZ
(39%)
+
VRZ_B_8
QMean=0.586
P2
:
(5 Cplx.)
RUN2
pKi= 6.1
316
3.3
1.9
103905486
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P2
:
(5 Cplx.)
RUN2
pKi= 5.3
317
9.1
1.5
103905345
2C0O
(39%)
+
L2G_A_3
QMean=0.553
P2
:
(3 Cplx.)
RUN2
pKi= 5.4
318
6.5
0.8
103904594
3PIY
(99%)
+
585_A_2
QMean=0.642
P2
:
(5 Cplx.)
RUN2
pKi= 6.6
319
5.2
2.5
103905107
4HCT
(57%)
+
18R_A_2
QMean=0.645
P2
:
(5 Cplx.)
RUN2
pKi= 6.2
320
9.3
1.9
103904325
3K5V
(48%)
+
STI_B_7
QMean=0.594
P2
:
(3 Cplx.)
RUN0
pKi= 6.9
321
7.5
1.9
103905091
2FO0
(42%)
+
P16_A_3
QMean=0.541
P2
:
(3 Cplx.)
RUN0
pKi= 6.2
322
7.6
0.9
103905531
1BYG
(45%)
+
STU_B_2
QMean=0.630
P2
:
(4 Cplx.)
RUN0
pKi= 7.1
323
7.8
1.8
103904291
3VS6
(39%)
+
VSH_B_10
QMean=0.557
P2
:
(3 Cplx.)
RUN1
pKi= 6.6
324
5.8
1.8
103905608
2F4J
(48%)
+
VX6_B_2
QMean=0.605
P2
:
(4 Cplx.)
RUN1
pKi= 6.7
325
8.7
2.2
103904462
3VS1
(39%)
+
VSA_A_5
QMean=0.541
P2
:
(3 Cplx.)
RUN0
pKi= 5.4
326
9.5
1.3
103904784
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P2
:
(5 Cplx.)
RUN1
pKi= 7.4
327
10.1
2.2
103904273
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P2
:
(4 Cplx.)
RUN0
pKi= 7
328
5.3
2.1
103904809
3VS7
(39%)
+
KS1_B_6
QMean=0.556
P3
:
(3 Cplx.)
RUN1
pKi= 6.2
329
4.0
1.6
103905229
4HCT
(57%)
+
18R_A_2
QMean=0.645
P3
:
(3 Cplx.)
RUN1
pKi= 4.3
330
7.8
1.6
103905159
3VS1
(39%)
+
VSA_A_5
QMean=0.541
P3
:
(3 Cplx.)
RUN2
pKi= 5.2
331
6.0
1.3
103904590
3PIY
(99%)
+
585_A_2
QMean=0.642
P3
:
(3 Cplx.)
RUN1
pKi= 6
332
6.2
2.1
103905122
3SXS
(67%)
+
PP2_A_2
QMean=0.672
P3
:
(4 Cplx.)
RUN0
pKi= 4.2
333
8.8
1.5
103905341
3VS6
(39%)
+
VSH_B_10
QMean=0.557
P3
:
(3 Cplx.)
RUN2
pKi= 5.4
334
8.0
2.0
103904335
2C0T
(39%)
+
L3G_A_3
QMean=0.581
P3
:
(3 Cplx.)
RUN0
pKi= 6.2
335
6.7
1.9
103905603
4HCT
(57%)
+
18R_A_2
QMean=0.645
P3
:
(3 Cplx.)
RUN1
pKi= 6.2
336
5.4
1.9
103904704
3CS9
(48%)
+
NIL_D_8
QMean=0.598
P3
:
(3 Cplx.)
RUN2
pKi= 5.5
337
5.6
1.8
103905055
2F4J
(48%)
+
VX6_B_2
QMean=0.605
P3
:
(3 Cplx.)
RUN1
pKi= 6.5
338
7.2
1.8
103905338
3VS2
(39%)
+
VSB_B_7
QMean=0.556
P3
:
(4 Cplx.)
RUN2
pKi= 5.9
339
6.7
1.4
103905233
3VS6
(39%)
+
VSH_B_10
QMean=0.557
P3
:
(3 Cplx.)
RUN1
pKi= 6.8
340
7.1
1.4
103905525
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P3
:
(3 Cplx.)
RUN1
pKi= 6.5
341
9.3
2.2
103904318
3VRZ
(39%)
+
VRZ_A_5
QMean=0.557
P3
:
(4 Cplx.)
RUN0
pKi= 6.6
342
9.4
0.8
103905313
2FO0
(42%)
+
P16_A_3
QMean=0.541
P3
:
(3 Cplx.)
RUN1
pKi= 8
343
7.2
1.1
103904600
3PIY
(99%)
+
585_A_2
QMean=0.642
P3
:
(3 Cplx.)
RUN1
pKi= 6.2
344
8.3
1.6
103905214
3OCT
(99%)
+
1N1_A_2
QMean=0.688
P3
:
(3 Cplx.)
RUN0
pKi= 5.4
345
4.9
2.0
103904809
3VS7
(39%)
+
KS1_B_6
QMean=0.556
P3
:
(3 Cplx.)
RUN2
pKi= 6.2
346
9.8
1.6
103904784
3VS4
(39%)
+
VSF_A_5
QMean=0.573
P4
:
(3 Cplx.)
RUN0
pKi= 7.4
347
7.8
2.5
103904591
3GEN
(99%)
+
B43_A_2
QMean=0.672
P5
:
(3 Cplx.)
RUN0
pKi= 6.9
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.59
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