Screening Results : Docking based on all models from entry : KGP1_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
103904189
103904191
103904192
103904193
103904197
103904202
103904203
103904204
103904206
103904333
103904340
103904352
103904355
103904402
103904419
103904463
103904464
103904465
103904466
103904468
103904469
103904472
103904475
103904477
103904478
103904479
103904480
103904482
103904483
103904484
103904502
103904505
103904509
103904510
103904511
103904513
103904514
103904515
103904516
103904517
103904518
103904547
103904552
103904553
103904554
103904555
103904556
103904557
103904558
103904559
103904560
103904561
103904562
103904563
103904565
103904566
103904574
103904580
103904581
103904592
103904598
103904601
103904647
103904655
103904657
103904658
103904659
103904664
103904677
103904683
103904688
103904705
103904729
103904738
103904746
103904749
103904750
103904754
103904811
103904859
103904887
103904901
103904908
103904912
103904913
103904951
103904952
103904953
103904955
103904960
103904962
103904966
103904968
103904970
103904971
103904972
103904974
103904984
103904985
103904988
103905034
103905055
103905056
103905060
103905119
103905120
103905121
103905144
103905145
103905167
103905212
103905219
103905237
103905263
103905308
103905309
103905354
103905355
103905356
103905429
103905453
103905488
103905496
103905509
103905541
103905577
103905578
103905598
103905605
103905614
103905649
103905650
103905674
103905676
4KU7_PCG
4QX5_CMP
Complex support
[Template
(Ident)
+ Anchor]
Model Quality
(QMean)
Position of Lig.
Study
Measure
1
6.8
0.1
103904749
2F7X
(45%)
+
4EA_C_3
QMean=0.520
P1
:
(9 Cplx.)
RUN2
pKi= 7.5
2
6.9
0.1
103904683
2F7X
(45%)
+
4EA_C_3
QMean=0.520
P1
:
(6 Cplx.)
RUN2
pKi= 6.6
3
6.2
0.2
103904749
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(8 Cplx.)
RUN1
pKi= 7.5
4
6.5
0.2
103904750
2F7X
(45%)
+
4EA_C_3
QMean=0.520
P1
:
(9 Cplx.)
RUN2
pKi= 6.2
5
6.3
0.4
103904683
2F7X
(45%)
+
4EA_C_3
QMean=0.520
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
6
6.4
0.4
103904469
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(12 Cplx.)
RUN2
pKi= 6.6
7
6.9
0.5
103905453
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P2
:
(4 Cplx.)
RUN2
pKi= 7.8
8
6.3
0.6
103904750
2F7X
(45%)
+
4EA_C_3
QMean=0.520
P1
:
(8 Cplx.)
RUN1
pKi= 6.2
9
8.1
0.7
103904484
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(7 Cplx.)
RUN2
pKi= 6.6
10
7.2
0.7
103904974
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(7 Cplx.)
RUN2
pKi= 7.1
11
7.3
0.7
103904484
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(5 Cplx.)
RUN1
pKi= 6.6
12
7.1
0.7
103904516
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(8 Cplx.)
RUN1
pKi= 6.1
13
6.2
0.7
103904469
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(9 Cplx.)
RUN1
pKi= 6.6
14
6.8
0.8
103904478
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(7 Cplx.)
RUN2
pKi= 6.1
15
6.5
0.8
103904974
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P2
:
(7 Cplx.)
RUN1
pKi= 7.1
16
7.1
0.8
103904475
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(5 Cplx.)
RUN2
pKi= 6.6
17
7.1
0.9
103904478
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(9 Cplx.)
RUN1
pKi= 6.1
18
5.6
0.9
103904970
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P2
:
(9 Cplx.)
RUN2
pKi= 6.2
19
8.6
0.9
103904480
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(12 Cplx.)
RUN2
pKi= 8.1
20
8.7
0.9
103904480
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(12 Cplx.)
RUN0
pKi= 8.1
21
6.9
0.9
103904518
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(10 Cplx.)
RUN2
pKi= 6.3
22
6.8
0.9
103904475
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(8 Cplx.)
RUN1
pKi= 6.6
23
7.4
1.0
103904518
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(10 Cplx.)
RUN1
pKi= 6.3
24
7.3
1.0
103905453
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P3
:
(3 Cplx.)
RUN1
pKi= 7.8
25
6.6
1.0
103904968
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(7 Cplx.)
RUN2
pKi= 7.1
26
7.3
1.0
103904515
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(6 Cplx.)
RUN1
pKi= 7.1
27
5.6
1.0
103904966
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(7 Cplx.)
RUN2
pKi= 7.3
28
6.9
1.1
103904518
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(8 Cplx.)
RUN0
pKi= 6.3
29
7.4
1.1
103904464
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(7 Cplx.)
RUN1
pKi= 6.5
30
6.4
1.1
103904968
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(7 Cplx.)
RUN1
pKi= 7.1
31
7.5
1.1
103904468
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(6 Cplx.)
RUN2
pKi= 6.8
32
7.9
1.1
103904479
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P2
:
(5 Cplx.)
RUN0
pKi= 8
33
7.4
1.1
103905237
2F7X
(45%)
+
4EA_C_3
QMean=0.520
P1
:
(9 Cplx.)
RUN1
pKi= 7.4
34
7.2
1.1
103904683
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(4 Cplx.)
RUN0
pKi= 6.6
35
7.4
1.1
103904478
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(5 Cplx.)
RUN0
pKi= 6.1
36
6.4
1.1
103904560
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(8 Cplx.)
RUN2
pKi= 5.8
37
8.3
1.1
103904484
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(8 Cplx.)
RUN0
pKi= 6.6
38
6.7
1.2
103904483
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(7 Cplx.)
RUN2
pKi= 6.6
39
7.5
1.2
103904738
2UZT
(45%)
+
SS3_A_3
QMean=0.526
P1
:
(7 Cplx.)
RUN0
pKi= 5.9
40
6.5
1.2
103904517
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(9 Cplx.)
RUN2
pKi= 6.2
41
6.6
1.2
103904483
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(11 Cplx.)
RUN0
pKi= 6.6
42
7.5
1.2
103905145
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(6 Cplx.)
RUN2
pKi= 7.1
43
7.1
1.2
103904465
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(11 Cplx.)
RUN2
pKi= 8
44
7.1
1.2
103904466
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(7 Cplx.)
RUN1
pKi= 6.5
45
6.5
1.3
103904555
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(13 Cplx.)
RUN2
pKi= 9
46
7.0
1.3
103904206
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P2
:
(7 Cplx.)
RUN2
pKi= 7
47
7.2
1.3
103904465
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(9 Cplx.)
RUN0
pKi= 8
48
7.5
1.3
103904477
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P1
:
(7 Cplx.)
RUN1
pKi= 6.5
49
6.7
1.3
103904657
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(7 Cplx.)
RUN2
pKi= 8.9
50
7.2
1.3
103904466
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(10 Cplx.)
RUN2
pKi= 6.5
51
7.4
1.3
103904475
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(5 Cplx.)
RUN0
pKi= 6.6
52
7.0
1.3
103904556
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(10 Cplx.)
RUN1
pKi= 8.6
53
6.5
1.3
103904552
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(14 Cplx.)
RUN2
pKi= 7.8
54
7.2
1.3
103904465
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(8 Cplx.)
RUN1
pKi= 8
55
5.3
1.3
103904970
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(9 Cplx.)
RUN1
pKi= 6.2
56
6.3
1.3
103904562
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(14 Cplx.)
RUN1
pKi= 7.4
57
7.7
1.3
103904480
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(7 Cplx.)
RUN1
pKi= 8.1
58
6.4
1.3
103904562
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(15 Cplx.)
RUN2
pKi= 7.4
59
7.5
1.3
103904738
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(6 Cplx.)
RUN2
pKi= 5.9
60
6.8
1.3
103904557
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(9 Cplx.)
RUN2
pKi= 6
61
7.3
1.3
103904468
2UZU
(45%)
+
L20_E_3
QMean=0.499
P1
:
(9 Cplx.)
RUN1
pKi= 6.8
62
7.5
1.3
103905237
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(8 Cplx.)
RUN2
pKi= 7.4
63
7.2
1.3
103904472
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(12 Cplx.)
RUN0
pKi= 6.3
64
7.0
1.3
103904464
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(8 Cplx.)
RUN2
pKi= 6.5
65
7.8
1.3
103904479
2UZU
(45%)
+
L20_E_3
QMean=0.499
P1
:
(6 Cplx.)
RUN1
pKi= 8
66
5.8
1.4
103904482
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P2
:
(5 Cplx.)
RUN0
pKi= 6.9
67
8.3
1.4
103904463
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(7 Cplx.)
RUN2
pKi= 8.1
68
8.0
1.4
103905145
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(7 Cplx.)
RUN1
pKi= 7.1
69
6.3
1.4
103904516
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P2
:
(4 Cplx.)
RUN2
pKi= 6.1
70
5.5
1.4
103904482
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(9 Cplx.)
RUN1
pKi= 6.9
71
6.5
1.4
103904552
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(11 Cplx.)
RUN1
pKi= 7.8
72
6.6
1.4
103904561
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(6 Cplx.)
RUN2
pKi= 7.7
73
5.9
1.4
103904482
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(9 Cplx.)
RUN2
pKi= 6.9
74
7.1
1.4
103904477
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(6 Cplx.)
RUN2
pKi= 6.5
75
6.2
1.4
103904971
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(8 Cplx.)
RUN2
pKi= 6.6
76
6.6
1.4
103904972
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(7 Cplx.)
RUN2
pKi= 5.8
77
5.3
1.4
103905212
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(11 Cplx.)
RUN1
pKi= 6.1
78
7.0
1.4
103904466
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(7 Cplx.)
RUN0
pKi= 6.5
79
7.0
1.4
103904464
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(6 Cplx.)
RUN0
pKi= 6.5
80
6.3
1.4
103904908
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(10 Cplx.)
RUN2
pKi= 6.4
81
7.6
1.4
103905237
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(9 Cplx.)
RUN0
pKi= 7.4
82
5.7
1.4
103904971
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(10 Cplx.)
RUN1
pKi= 6.6
83
7.2
1.4
103904206
3OW3
(45%)
+
SMY_A_3
QMean=0.572
P1
:
(9 Cplx.)
RUN1
pKi= 7
84
6.8
1.4
103904749
2F7X
(45%)
+
4EA_C_3
QMean=0.520
P1
:
(4 Cplx.)
RUN0
pKi= 7.5
85
6.4
1.4
103904554
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P2
:
(6 Cplx.)
RUN2
pKi= 8.9
86
6.7
1.4
103904565
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(12 Cplx.)
RUN2
pKi= 8.1
87
4.7
1.4
4QX5_CMP
4IAC
(45%)
+
ACP_A_5
QMean=0.579
P1
:
(11 Cplx.)
VALID2
-= -
88
8.9
1.4
103905453
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(7 Cplx.)
RUN0
pKi= 7.8
89
6.8
1.4
103905120
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P2
:
(5 Cplx.)
RUN2
pKi= 7.6
90
6.8
1.4
103905120
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(5 Cplx.)
RUN1
pKi= 7.6
91
6.7
1.5
103905121
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P2
:
(5 Cplx.)
RUN0
pKi= 6.7
92
6.9
1.5
103905119
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(10 Cplx.)
RUN2
pKi= 6.5
93
6.5
1.5
103904974
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P2
:
(4 Cplx.)
RUN0
pKi= 7.1
94
6.1
1.5
103904574
2GU8
(45%)
+
796_A_3
QMean=0.292
P1
:
(6 Cplx.)
RUN1
pKi= 6.7
95
7.4
1.5
103904566
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(15 Cplx.)
RUN2
pKi= 7.5
96
7.2
1.5
103904472
2UW4
(45%)
+
L15_A_3
QMean=0.298
P1
:
(12 Cplx.)
RUN2
pKi= 6.3
97
6.1
1.5
103905144
1SVG
(45%)
+
I04_C_3
QMean=0.302
P1
:
(8 Cplx.)
RUN0
pKi= 7.5
98
6.8
1.5
103904515
2GU8
(45%)
+
796_A_3
QMean=0.292
P1
:
(9 Cplx.)
RUN2
pKi= 7.1
99
5.9
1.5
103904559
4GV1
(39%)
+
0XZ_A_2
QMean=0.579
P1
:
(6 Cplx.)
RUN1
pKi= 7.2
100
6.6
1.5
103904560
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P1
:
(10 Cplx.)
RUN1
pKi= 5.8
101
6.3
1.5
103904971
3TXO
(37%)
+
07U_A_2
QMean=0.453
P2
:
(4 Cplx.)
RUN0
pKi= 6.6
102
7.0
1.5
103904558
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(9 Cplx.)
RUN2
pKi= 6.7
103
6.2
1.5
103904517
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(14 Cplx.)
RUN1
pKi= 6.2
104
6.2
1.6
103904972
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(11 Cplx.)
RUN1
pKi= 5.8
105
6.5
1.6
103904516
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P3
:
(3 Cplx.)
RUN0
pKi= 6.1
106
6.6
1.6
103905034
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P2
:
(3 Cplx.)
RUN2
pKi= 6.4
107
7.5
1.6
103904477
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P2
:
(3 Cplx.)
RUN0
pKi= 6.5
108
7.8
1.6
103904738
2UW4
(45%)
+
L15_A_3
QMean=0.298
P1
:
(5 Cplx.)
RUN1
pKi= 5.9
109
6.3
1.6
103904517
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(7 Cplx.)
RUN0
pKi= 6.2
110
6.3
1.6
103904557
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P2
:
(5 Cplx.)
RUN1
pKi= 6
111
6.1
1.6
103904203
2GU8
(45%)
+
796_A_3
QMean=0.292
P2
:
(5 Cplx.)
RUN2
pKi= 7
112
6.9
1.6
103904580
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P1
:
(10 Cplx.)
RUN1
pKi= 5.9
113
6.3
1.6
103904581
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(8 Cplx.)
RUN1
pKi= 6.2
114
6.5
1.6
103904559
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P2
:
(6 Cplx.)
RUN2
pKi= 7.2
115
6.8
1.6
103904515
2GU8
(45%)
+
796_A_3
QMean=0.292
P1
:
(7 Cplx.)
RUN0
pKi= 7.1
116
8.3
1.6
103904463
2UZU
(45%)
+
L20_E_3
QMean=0.499
P1
:
(4 Cplx.)
RUN1
pKi= 8.1
117
6.5
1.6
103904563
1XH5
(45%)
+
R68_C_3
QMean=0.301
P1
:
(16 Cplx.)
RUN1
pKi= 7
118
7.0
1.6
103904192
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(6 Cplx.)
RUN2
pKi= 6.7
119
6.1
1.6
103905144
1XH8
(45%)
+
R55_C_3
QMean=0.288
P1
:
(10 Cplx.)
RUN2
pKi= 7.5
120
6.8
1.6
103904557
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(4 Cplx.)
RUN0
pKi= 6
121
7.0
1.6
103904556
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(10 Cplx.)
RUN0
pKi= 8.6
122
6.7
1.6
103904563
1XH5
(45%)
+
R68_C_3
QMean=0.301
P1
:
(15 Cplx.)
RUN2
pKi= 7
123
6.9
1.6
103904565
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(8 Cplx.)
RUN0
pKi= 8.1
124
6.5
1.6
103905121
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(10 Cplx.)
RUN2
pKi= 6.7
125
6.9
1.6
103904658
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P2
:
(6 Cplx.)
RUN0
pKi= 8.3
126
6.3
1.6
103904566
1XH5
(45%)
+
R68_C_3
QMean=0.301
P1
:
(5 Cplx.)
RUN1
pKi= 7.5
127
6.1
1.6
103904558
2UZU
(45%)
+
L20_E_3
QMean=0.499
P2
:
(3 Cplx.)
RUN1
pKi= 6.7
128
6.7
1.6
103904972
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(5 Cplx.)
RUN0
pKi= 5.8
129
7.2
1.6
103905119
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P1
:
(12 Cplx.)
RUN1
pKi= 6.5
130
7.0
1.6
103904192
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(10 Cplx.)
RUN0
pKi= 6.7
131
6.6
1.7
103904202
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(10 Cplx.)
RUN1
pKi= 6.8
132
6.8
1.7
103904985
3TXO
(37%)
+
07U_A_2
QMean=0.453
P3
:
(3 Cplx.)
RUN0
pKi= 6.1
133
6.8
1.7
103905034
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
134
6.6
1.7
103904559
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(9 Cplx.)
RUN0
pKi= 7.2
135
5.8
1.7
103904510
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(8 Cplx.)
RUN1
pKi= 7.5
136
5.4
1.7
103904510
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(6 Cplx.)
RUN2
pKi= 7.5
137
5.6
1.7
103904970
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(8 Cplx.)
RUN0
pKi= 6.2
138
6.9
1.7
103904988
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(7 Cplx.)
RUN2
pKi= 6.3
139
6.8
1.7
103904192
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(6 Cplx.)
RUN1
pKi= 6.7
140
5.5
1.7
103905167
3TXO
(37%)
+
07U_A_2
QMean=0.453
P2
:
(6 Cplx.)
RUN2
pKi= 7.7
141
6.9
1.7
103905598
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(11 Cplx.)
RUN2
pKi= 6.1
142
5.8
1.7
103904951
1XH8
(45%)
+
R55_C_3
QMean=0.288
P1
:
(10 Cplx.)
RUN2
pKi= 6.6
143
7.1
1.7
103904558
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(11 Cplx.)
RUN0
pKi= 6.7
144
6.9
1.7
103904202
2GU8
(45%)
+
796_A_3
QMean=0.292
P2
:
(6 Cplx.)
RUN0
pKi= 6.8
145
4.8
1.7
103904952
1XH8
(45%)
+
R55_C_3
QMean=0.288
P1
:
(10 Cplx.)
RUN2
pKi= 7.5
146
7.1
1.7
103905119
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(8 Cplx.)
RUN0
pKi= 6.5
147
5.4
1.8
103904688
3TXO
(37%)
+
07U_A_2
QMean=0.453
P2
:
(5 Cplx.)
RUN2
pKi= 6.5
148
6.1
1.8
103904659
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P1
:
(8 Cplx.)
RUN2
pKi= 7.3
149
6.9
1.8
103904203
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(9 Cplx.)
RUN1
pKi= 7
150
6.6
1.8
103904563
1XH5
(45%)
+
R68_C_3
QMean=0.301
P1
:
(15 Cplx.)
RUN0
pKi= 7
151
6.4
1.8
103904955
1XH8
(45%)
+
R55_C_3
QMean=0.288
P1
:
(10 Cplx.)
RUN1
pKi= 6.9
152
5.9
1.8
103904912
2ERZ
(45%)
+
HFS_C_3
QMean=0.548
P3
:
(3 Cplx.)
RUN2
pKi= 6.6
153
7.1
1.8
103904750
2UZU
(45%)
+
L20_E_3
QMean=0.499
P1
:
(6 Cplx.)
RUN0
pKi= 6.2
154
8.1
1.8
103905145
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(7 Cplx.)
RUN0
pKi= 7.1
155
6.5
1.8
103904574
1XH5
(45%)
+
R68_C_3
QMean=0.301
P1
:
(10 Cplx.)
RUN2
pKi= 6.7
156
7.7
1.8
103905674
1SVH
(45%)
+
I08_C_3
QMean=0.285
P2
:
(3 Cplx.)
RUN1
pKi= 6.8
157
6.4
1.8
103904966
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P2
:
(4 Cplx.)
RUN0
pKi= 7.3
158
6.9
1.8
103904472
2UW4
(45%)
+
L15_A_3
QMean=0.298
P1
:
(12 Cplx.)
RUN1
pKi= 6.3
159
6.4
1.8
103904908
2GU8
(45%)
+
796_A_3
QMean=0.292
P1
:
(9 Cplx.)
RUN0
pKi= 6.4
160
6.4
1.8
103905355
2UZT
(45%)
+
SS3_A_3
QMean=0.526
P2
:
(3 Cplx.)
RUN2
pKi= 5.9
161
6.8
1.8
103904556
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P1
:
(15 Cplx.)
RUN2
pKi= 8.6
162
6.2
1.8
103904565
2UW4
(45%)
+
L15_A_3
QMean=0.298
P1
:
(4 Cplx.)
RUN1
pKi= 8.1
163
7.1
1.8
103904553
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(15 Cplx.)
RUN1
pKi= 6.9
164
6.7
1.8
103904655
1SVH
(45%)
+
I08_C_3
QMean=0.285
P1
:
(13 Cplx.)
RUN1
pKi= 6.8
165
4.5
1.8
103904955
1XH5
(45%)
+
R68_C_3
QMean=0.301
P1
:
(4 Cplx.)
RUN0
pKi= 6.9
166
7.5
1.8
103904566
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(9 Cplx.)
RUN0
pKi= 7.5
167
5.8
1.8
103904951
1XH6
(45%)
+
R94_C_3
QMean=0.319
P1
:
(5 Cplx.)
RUN0
pKi= 6.6
168
5.3
1.8
103905167
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(8 Cplx.)
RUN0
pKi= 7.7
169
5.1
1.8
103904729
1XH8
(45%)
+
R55_C_3
QMean=0.288
P2
:
(6 Cplx.)
RUN0
pKi= 7.1
170
6.9
1.9
103905263
1XH8
(45%)
+
R55_C_3
QMean=0.288
P1
:
(10 Cplx.)
RUN1
pKi= 6.9
171
5.1
1.9
103904729
1SVG
(45%)
+
I04_C_3
QMean=0.302
P1
:
(10 Cplx.)
RUN2
pKi= 7.1
172
6.7
1.9
103904951
1SVG
(45%)
+
I04_C_3
QMean=0.302
P1
:
(10 Cplx.)
RUN1
pKi= 6.6
173
6.1
1.9
103904483
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(8 Cplx.)
RUN1
pKi= 6.6
174
3.3
1.9
4KU7_PCG
4IAC
(45%)
+
ACP_A_5
QMean=0.579
P1
:
(4 Cplx.)
VALID2
-= -
175
6.6
1.9
103904202
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P1
:
(8 Cplx.)
RUN2
pKi= 6.8
176
5.5
1.9
103905167
3TXO
(37%)
+
07U_A_2
QMean=0.453
P2
:
(8 Cplx.)
RUN1
pKi= 7.7
177
6.9
1.9
103904657
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(6 Cplx.)
RUN0
pKi= 8.9
178
7.2
1.9
103905649
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P3
:
(4 Cplx.)
RUN1
pKi= 7.4
179
5.5
1.9
103904688
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(6 Cplx.)
RUN1
pKi= 6.5
180
6.7
1.9
103905598
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(6 Cplx.)
RUN1
pKi= 6.1
181
6.1
1.9
103905676
2C1B
(45%)
+
CQP_A_3
QMean=0.281
P1
:
(8 Cplx.)
RUN2
pKi= 6
182
6.6
1.9
103904952
1XH5
(45%)
+
R68_C_3
QMean=0.301
P1
:
(11 Cplx.)
RUN1
pKi= 7.5
183
6.5
1.9
103904560
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P2
:
(4 Cplx.)
RUN0
pKi= 5.8
184
5.5
1.9
103904655
1VEB
(45%)
+
I05_A_3
QMean=0.300
P1
:
(6 Cplx.)
RUN2
pKi= 6.8
185
4.7
1.9
103904952
1VEB
(45%)
+
I05_A_3
QMean=0.300
P2
:
(3 Cplx.)
RUN0
pKi= 7.5
186
7.0
1.9
103904554
2GU8
(45%)
+
796_A_3
QMean=0.292
P1
:
(14 Cplx.)
RUN0
pKi= 8.9
187
6.3
1.9
103904908
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(3 Cplx.)
RUN1
pKi= 6.4
188
6.9
1.9
103904984
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(7 Cplx.)
RUN2
pKi= 6.1
189
7.4
1.9
103904206
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(15 Cplx.)
RUN0
pKi= 7
190
7.0
1.9
103904555
2GU8
(45%)
+
796_A_3
QMean=0.292
P1
:
(11 Cplx.)
RUN1
pKi= 9
191
7.0
1.9
103904554
2GU8
(45%)
+
796_A_3
QMean=0.292
P1
:
(12 Cplx.)
RUN1
pKi= 8.9
192
6.0
1.9
103904333
1XH8
(45%)
+
R55_C_3
QMean=0.288
P2
:
(4 Cplx.)
RUN2
pKi= 6.1
193
6.5
1.9
103905144
1VEB
(45%)
+
I05_A_3
QMean=0.300
P1
:
(14 Cplx.)
RUN1
pKi= 7.5
194
5.8
2.0
103905121
2UZU
(45%)
+
L20_E_3
QMean=0.499
P2
:
(3 Cplx.)
RUN1
pKi= 6.7
195
5.9
2.0
103905650
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(10 Cplx.)
RUN1
pKi= 5.8
196
6.9
2.0
103904552
4AXA
(45%)
+
RKD_A_3
QMean=0.290
P1
:
(12 Cplx.)
RUN0
pKi= 7.8
197
7.8
2.0
103905674
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(4 Cplx.)
RUN0
pKi= 6.8
198
7.2
2.0
103905120
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P1
:
(6 Cplx.)
RUN0
pKi= 7.6
199
7.4
2.0
103904468
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(10 Cplx.)
RUN0
pKi= 6.8
200
6.8
2.0
103904469
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(11 Cplx.)
RUN0
pKi= 6.6
201
8.5
2.0
103904463
2UZU
(45%)
+
L20_E_3
QMean=0.499
P1
:
(6 Cplx.)
RUN0
pKi= 8.1
202
6.5
2.0
103904985
1ATP
(45%)
+
ATP_E_5
QMean=0.563
P2
:
(4 Cplx.)
RUN1
pKi= 6.1
203
6.5
2.0
103904984
1ATP
(45%)
+
ATP_E_5
QMean=0.563
P3
:
(4 Cplx.)
RUN1
pKi= 6.1
204
5.3
2.0
103905509
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(10 Cplx.)
RUN1
pKi= 6
205
7.6
2.0
103904479
2UW4
(45%)
+
L15_A_3
QMean=0.298
P1
:
(9 Cplx.)
RUN2
pKi= 8
206
5.9
2.0
103905614
3TXO
(37%)
+
07U_A_2
QMean=0.453
P3
:
(4 Cplx.)
RUN1
pKi= 6.2
207
5.0
2.0
103905614
1Q8U
(45%)
+
H52_A_3
QMean=0.292
P2
:
(3 Cplx.)
RUN2
pKi= 6.2
208
6.8
2.0
103904189
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(8 Cplx.)
RUN0
pKi= 7
209
7.1
2.0
103904505
3L9M
(45%)
+
L9M_B_6
QMean=0.299
P1
:
(3 Cplx.)
RUN1
pKi= 6.2
210
7.3
2.0
103905541
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P3
:
(3 Cplx.)
RUN2
pKi= 5.9
211
6.3
2.1
103904658
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(11 Cplx.)
RUN2
pKi= 8.3
212
6.0
2.1
103904340
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P3
:
(3 Cplx.)
RUN1
pKi= 5.8
213
7.2
2.1
103904561
4GV1
(39%)
+
0XZ_A_2
QMean=0.579
P1
:
(8 Cplx.)
RUN0
pKi= 7.7
214
7.1
2.1
103904555
2GU8
(45%)
+
796_A_3
QMean=0.292
P1
:
(10 Cplx.)
RUN0
pKi= 9
215
6.0
2.1
103905263
1VEB
(45%)
+
I05_A_3
QMean=0.300
P1
:
(11 Cplx.)
RUN2
pKi= 6.9
216
6.6
2.1
103904204
2UVX
(45%)
+
GVH_A_3
QMean=0.281
P1
:
(8 Cplx.)
RUN1
pKi= 6.3
217
6.8
2.1
103904203
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(10 Cplx.)
RUN0
pKi= 7
218
6.2
2.1
103904191
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(13 Cplx.)
RUN0
pKi= 7.9
219
7.2
2.1
103904193
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(6 Cplx.)
RUN2
pKi= 7
220
5.9
2.1
103904561
3TXO
(37%)
+
07U_A_2
QMean=0.453
P2
:
(3 Cplx.)
RUN1
pKi= 7.7
221
6.7
2.1
103904953
2VO0
(45%)
+
M03_A_6
QMean=0.295
P3
:
(4 Cplx.)
RUN2
pKi= 6.9
222
6.3
2.1
103905356
2UZT
(45%)
+
SS3_A_3
QMean=0.526
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
223
6.9
2.1
103904562
2GU8
(45%)
+
796_A_3
QMean=0.292
P1
:
(13 Cplx.)
RUN0
pKi= 7.4
224
7.0
2.1
103904968
2F7Z
(45%)
+
6EA_C_3
QMean=0.527
P1
:
(5 Cplx.)
RUN0
pKi= 7.1
225
6.0
2.1
103904191
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(12 Cplx.)
RUN1
pKi= 7.9
226
6.7
2.1
103904658
2GU8
(45%)
+
796_A_3
QMean=0.292
P1
:
(7 Cplx.)
RUN1
pKi= 8.3
227
7.1
2.1
103905355
3TXO
(37%)
+
07U_A_2
QMean=0.453
P2
:
(3 Cplx.)
RUN0
pKi= 5.9
228
6.7
2.1
103904197
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(7 Cplx.)
RUN0
pKi= 6.1
229
6.3
2.1
103905676
3MVJ
(45%)
+
XFE_A_7
QMean=0.250
P1
:
(10 Cplx.)
RUN0
pKi= 6
230
7.0
2.1
103904988
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(8 Cplx.)
RUN1
pKi= 6.3
231
7.2
2.1
103904193
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(9 Cplx.)
RUN1
pKi= 7
232
6.1
2.1
103904966
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P1
:
(12 Cplx.)
RUN1
pKi= 7.3
233
7.2
2.1
103904189
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(8 Cplx.)
RUN1
pKi= 7
234
7.4
2.2
103904592
2UZT
(45%)
+
SS3_A_3
QMean=0.526
P1
:
(6 Cplx.)
RUN2
pKi= 5.9
235
6.5
2.2
103904574
2UZU
(45%)
+
L20_E_3
QMean=0.499
P3
:
(5 Cplx.)
RUN0
pKi= 6.7
236
7.1
2.2
103904193
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(6 Cplx.)
RUN0
pKi= 7
237
6.1
2.2
103905578
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(5 Cplx.)
RUN2
pKi= 6.2
238
5.7
2.2
103904513
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P2
:
(3 Cplx.)
RUN2
pKi= 7
239
7.2
2.2
103904204
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(7 Cplx.)
RUN0
pKi= 6.3
240
7.0
2.2
103904204
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(7 Cplx.)
RUN2
pKi= 6.3
241
6.9
2.2
103905055
3OWP
(45%)
+
2SB_A_3
QMean=0.269
P3
:
(3 Cplx.)
RUN2
pKi= 7
242
6.9
2.2
103905055
3OVV
(45%)
+
1SB_A_3
QMean=0.264
P2
:
(4 Cplx.)
RUN0
pKi= 7
243
6.7
2.2
103904189
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P2
:
(5 Cplx.)
RUN2
pKi= 7
244
6.7
2.2
103904197
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(9 Cplx.)
RUN1
pKi= 6.1
245
4.8
2.2
103904887
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(7 Cplx.)
RUN2
pKi= 5.8
246
4.7
2.2
103904664
2JDT
(45%)
+
I5S_A_3
QMean=0.259
P1
:
(9 Cplx.)
RUN1
pKi= 5.9
247
6.2
2.2
103904657
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(7 Cplx.)
RUN1
pKi= 8.9
248
5.7
2.2
103905212
2VO0
(45%)
+
M03_A_6
QMean=0.295
P1
:
(6 Cplx.)
RUN0
pKi= 6.1
249
7.8
2.2
103904592
2UZT
(45%)
+
SS3_A_3
QMean=0.526
P1
:
(4 Cplx.)
RUN0
pKi= 5.9
250
6.6
2.2
103904197
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(9 Cplx.)
RUN2
pKi= 6.1
251
6.8
2.3
103904505
3L9M
(45%)
+
L9M_B_6
QMean=0.299
P3
:
(3 Cplx.)
RUN2
pKi= 6.2
252
8.0
2.3
103904513
2UZU
(45%)
+
L20_E_3
QMean=0.499
P1
:
(5 Cplx.)
RUN1
pKi= 7
253
6.8
2.3
103905578
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P1
:
(6 Cplx.)
RUN1
pKi= 6.2
254
4.8
2.3
4QX5_CMP
3AGL
(45%)
+
A03_A_3
QMean=0.277
P1
:
(6 Cplx.)
VALID0
-= -
255
6.5
2.3
103905488
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P1
:
(4 Cplx.)
RUN1
pKi= 6.4
256
7.0
2.3
103905577
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P2
:
(5 Cplx.)
RUN2
pKi= 5.8
257
8.0
2.3
103904553
4AXA
(45%)
+
RKD_A_3
QMean=0.290
P1
:
(9 Cplx.)
RUN0
pKi= 6.9
258
7.2
2.3
103905598
3TXO
(37%)
+
07U_A_2
QMean=0.453
P1
:
(6 Cplx.)
RUN0
pKi= 6.1
259
6.8
2.3
103904511
3L9M
(45%)
+
L9M_B_6
QMean=0.299
P4
:
(3 Cplx.)
RUN1
pKi= 6.5
260
7.3
2.3
103905541
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
261
5.7
2.4
103904859
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P2
:
(3 Cplx.)
RUN1
pKi= 6.1
262
5.7
2.4
103905219
1VEB
(45%)
+
I05_A_3
QMean=0.300
P1
:
(4 Cplx.)
RUN1
pKi= 5.9
263
6.5
2.4
103904659
4GV1
(39%)
+
0XZ_A_2
QMean=0.579
P1
:
(9 Cplx.)
RUN1
pKi= 7.3
264
6.7
2.4
103904502
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P1
:
(13 Cplx.)
RUN0
pKi= 5.9
265
7.5
2.4
103904960
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(8 Cplx.)
RUN0
pKi= 8.2
266
5.4
2.4
103904859
1XH5
(45%)
+
R68_C_3
QMean=0.301
P1
:
(5 Cplx.)
RUN2
pKi= 6.1
267
4.6
2.4
103905650
3AGM
(45%)
+
A67_A_2
QMean=0.231
P1
:
(4 Cplx.)
RUN2
pKi= 5.8
268
6.1
2.4
103904355
3AGL
(45%)
+
A03_A_3
QMean=0.277
P2
:
(3 Cplx.)
RUN0
pKi= 6.8
269
5.4
2.4
103904355
3AGL
(45%)
+
A03_A_3
QMean=0.277
P1
:
(6 Cplx.)
RUN1
pKi= 6.8
270
6.5
2.4
103904502
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P1
:
(13 Cplx.)
RUN2
pKi= 5.9
271
6.3
2.4
103904659
4GV1
(39%)
+
0XZ_A_2
QMean=0.579
P2
:
(6 Cplx.)
RUN0
pKi= 7.3
272
6.7
2.4
103904592
3AGM
(45%)
+
A67_A_2
QMean=0.231
P1
:
(3 Cplx.)
RUN1
pKi= 5.9
273
6.7
2.4
103904580
2F7X
(45%)
+
4EA_C_3
QMean=0.520
P1
:
(8 Cplx.)
RUN2
pKi= 5.9
274
4.8
2.4
103904664
2JDT
(45%)
+
I5S_A_3
QMean=0.259
P1
:
(9 Cplx.)
RUN2
pKi= 5.9
275
7.5
2.4
103904553
2JDT
(45%)
+
I5S_A_3
QMean=0.259
P1
:
(11 Cplx.)
RUN2
pKi= 6.9
276
6.6
2.4
103904502
2UZW
(45%)
+
SS4_E_3
QMean=0.531
P1
:
(14 Cplx.)
RUN1
pKi= 5.9
277
5.1
2.4
103904352
2VO0
(45%)
+
M03_A_6
QMean=0.295
P2
:
(4 Cplx.)
RUN2
pKi= 6.7
278
5.8
2.5
103904402
2GU8
(45%)
+
796_A_3
QMean=0.292
P2
:
(3 Cplx.)
RUN2
pKi= 5.8
279
4.6
2.5
103904955
1XH8
(45%)
+
R55_C_3
QMean=0.288
P2
:
(6 Cplx.)
RUN2
pKi= 6.9
280
8.4
2.5
103904513
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(6 Cplx.)
RUN0
pKi= 7
281
7.3
2.5
103904962
2UZV
(45%)
+
SS5_A_3
QMean=0.518
P1
:
(5 Cplx.)
RUN1
pKi= 6.4
282
6.4
2.5
103904912
2F7E
(45%)
+
2EA_C_3
QMean=0.553
P1
:
(4 Cplx.)
RUN0
pKi= 6.6
283
6.7
2.5
103905056
2UZU
(45%)
+
L20_E_3
QMean=0.499
P2
:
(3 Cplx.)
RUN1
pKi= 6.1
284
6.6
2.5
103904333
3TXO
(37%)
+
07U_A_2
QMean=0.453
P2
:
(4 Cplx.)
RUN1
pKi= 6.1
285
6.1
2.5
103904340
2OJF
(45%)
+
4PY_C_3
QMean=0.554
P1
:
(7 Cplx.)
RUN0
pKi= 5.8
286
7.1
2.5
103904514
3L9M
(45%)
+
L9M_B_6
QMean=0.299
P1
:
(4 Cplx.)
RUN1
pKi= 6.8
287
7.1
2.5
103905056
2OH0
(45%)
+
2PY_C_3
QMean=0.551
P2
:
(4 Cplx.)
RUN0
pKi= 6.1
Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.18
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