Screening Results : Docking based on all models from entry : JAK2_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 11.7 1.21039053132HZI (35%) + JIN_B_4
QMean=0.447
P2: (5 Cplx.) RUN0 pKi= 7.4
2 11.0 1.61039042893CS9 (35%) + NIL_A_5
QMean=0.444
P1: (12 Cplx.) RUN0 pKi= 7.3
3 11.0 2.41039043203UGC (99%) + 046_A_2
QMean=0.554
P2: (4 Cplx.) RUN2 pKi= 6.8
4 10.9 1.51039042893CS9 (35%) + NIL_A_5
QMean=0.444
P1: (6 Cplx.) RUN2 pKi= 7.3
5 10.8 2.31039043023CS9 (35%) + NIL_B_6
QMean=0.438
P1: (11 Cplx.) RUN0 pKi= 6.1
6 10.5 2.11039053133CS9 (35%) + NIL_A_5
QMean=0.444
P1: (4 Cplx.) RUN2 pKi= 7.4
7 10.4 1.81039043203CS9 (35%) + NIL_D_8
QMean=0.436
P1: (8 Cplx.) RUN0 pKi= 6.8
8 10.2 1.91039043023CS9 (35%) + NIL_A_5
QMean=0.444
P1: (4 Cplx.) RUN2 pKi= 6.1
9 10.0 1.91039042893CS9 (35%) + NIL_A_5
QMean=0.444
P1: (6 Cplx.) RUN1 pKi= 7.3
10 9.6 2.21039043252HYY (35%) + STI_C_7
QMean=0.438
P1: (4 Cplx.) RUN0 pKi= 5.8
11 9.5 2.11039053133CS9 (35%) + NIL_A_5
QMean=0.444
P1: (3 Cplx.) RUN1 pKi= 7.4
12 9.4 2.01039045984GIH (53%) + 0X5_A_2
QMean=0.467
P1: (5 Cplx.) RUN2 pKi= 6.8
13 9.3 2.31039047851M52 (35%) + P17_A_5
QMean=0.457
P2: (3 Cplx.) RUN0 pKi= 7.5
14 9.2 1.71039043023UGC (99%) + 046_A_2
QMean=0.554
P1: (4 Cplx.) RUN1 pKi= 6.1
15 9.2 1.41039052514BBE (99%) + 3O4_A_5
QMean=0.474
P1: (8 Cplx.) RUN0 pKi= 8.3
16 9.2 2.11039045964BBE (99%) + 3O4_A_5
QMean=0.474
P1: (7 Cplx.) RUN0 pKi= 8.4
17 9.2 1.51039043583UGC (99%) + 046_A_2
QMean=0.554
P1: (4 Cplx.) RUN2 pKi= 5.8
18 9.2 2.31039052504HVG (61%) + 19Q_A_2
QMean=0.522
P1: (6 Cplx.) RUN0 pKi= 7.9
19 9.1 2.41039045231IEP (35%) + STI_B_10
QMean=0.425
P1: (3 Cplx.) RUN0 pKi= 6.1
20 9.1 1.61039043073UGC (99%) + 046_A_2
QMean=0.554
P1: (4 Cplx.) RUN1 pKi= 6.3
21 9.1 1.41039052514E20 (53%) + 0MY_A_2
QMean=0.475
P2: (5 Cplx.) RUN2 pKi= 8.3
22 9.1 2.21039047542HZI (35%) + JIN_B_4
QMean=0.447
P2: (3 Cplx.) RUN0 pKi= 6.5
23 9.0 2.21039046034BBE (99%) + 3O4_A_5
QMean=0.474
P2: (4 Cplx.) RUN0 pKi= 7.7
24 9.0 2.31039052504HVD (61%) + 933_A_3
QMean=0.517
P1: (6 Cplx.) RUN2 pKi= 7.9
25 9.0 1.81039043203CS9 (35%) + NIL_A_5
QMean=0.444
P2: (3 Cplx.) RUN1 pKi= 6.8
26 9.0 2.41039045053K5V (35%) + STI_B_7
QMean=0.456
P3: (3 Cplx.) RUN0 pKi= 6.9
27 9.0 1.71039042973UGC (99%) + 046_A_2
QMean=0.554
P1: (5 Cplx.) RUN1 pKi= 6.3
28 9.0 2.01039043663CS9 (35%) + NIL_D_8
QMean=0.436
P1: (12 Cplx.) RUN0 pKi= 7.1
29 8.9 1.61039043583UGC (99%) + 046_A_2
QMean=0.554
P1: (5 Cplx.) RUN1 pKi= 5.8
30 8.9 1.71039042723CS9 (35%) + NIL_A_5
QMean=0.444
P1: (5 Cplx.) RUN1 pKi= 5.8
31 8.9 2.01039047521FPU (35%) + PRC_C_3
QMean=0.462
P2: (4 Cplx.) RUN1 pKi= 6
32 8.9 2.11039042923CS9 (35%) + NIL_A_5
QMean=0.444
P1: (4 Cplx.) RUN1 pKi= 6.2
33 8.9 2.01039045964GIH (53%) + 0X5_A_2
QMean=0.467
P1: (5 Cplx.) RUN2 pKi= 8.4
34 8.8 1.51039042743CS9 (35%) + NIL_A_5
QMean=0.444
P1: (4 Cplx.) RUN1 pKi= 5.8
35 8.8 2.11039044792HZI (35%) + JIN_B_4
QMean=0.447
P1: (4 Cplx.) RUN0 pKi= 5.9
36 8.8 1.81039043003UGC (99%) + 046_A_2
QMean=0.554
P1: (5 Cplx.) RUN1 pKi= 6.5
37 8.7 1.51039052504E20 (53%) + 0MY_A_2
QMean=0.475
P2: (5 Cplx.) RUN1 pKi= 7.9
38 8.7 1.51039052514E20 (53%) + 0MY_A_2
QMean=0.475
P1: (9 Cplx.) RUN1 pKi= 8.3
39 8.6 2.41039042853CS9 (35%) + NIL_A_5
QMean=0.444
P1: (5 Cplx.) RUN1 pKi= 6.3
40 8.6 2.01039043353UGC (99%) + 046_A_2
QMean=0.554
P1: (5 Cplx.) RUN2 pKi= 6.6
41 8.6 2.01039043083CS9 (35%) + NIL_A_5
QMean=0.444
P1: (5 Cplx.) RUN1 pKi= 7.1
42 8.6 2.41039048183QRI (35%) + 919_A_5
QMean=0.456
P2: (3 Cplx.) RUN0 pKi= 7.2
43 8.6 2.01039047854GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (3 Cplx.) RUN1 pKi= 7.5
44 8.6 2.31039044662G2H (35%) + P16_A_3
QMean=0.457
P1: (5 Cplx.) RUN2 pKi= 6.4
45 8.6 1.81039051603EQR (40%) + T74_B_5
QMean=0.466
P1: (4 Cplx.) RUN0 pKi= 6.9
46 8.6 2.11039050254HVH (61%) + 19R_A_2
QMean=0.507
P1: (7 Cplx.) RUN2 pKi= 5.9
47 8.6 2.51039048652G2H (35%) + P16_A_3
QMean=0.457
P1: (3 Cplx.) RUN2 pKi= 5.6
48 8.5 1.71039044852F4J (35%) + VX6_B_2
QMean=0.467
P2: (3 Cplx.) RUN1 pKi= 6
49 8.5 2.01039048264HVD (61%) + 933_A_3
QMean=0.517
P2: (3 Cplx.) RUN2 pKi= 5.8
50 8.5 1.81039051593EQR (40%) + T74_B_5
QMean=0.466
P2: (3 Cplx.) RUN0 pKi= 6.7
51 8.5 2.41039043131M52 (35%) + P17_A_5
QMean=0.457
P2: (5 Cplx.) RUN0 pKi= 7.2
52 8.5 1.51039050333UGC (99%) + 046_A_2
QMean=0.554
P1: (4 Cplx.) RUN1 pKi= 6.2
53 8.5 2.41039051372HYY (35%) + STI_A_5
QMean=0.423
P2: (4 Cplx.) RUN0 pKi= 7.9
54 8.4 2.11039052142G2H (35%) + P16_A_3
QMean=0.457
P1: (5 Cplx.) RUN0 pKi= 6.9
55 8.4 1.51039050254GII (53%) + 0X6_A_2
QMean=0.485
P1: (5 Cplx.) RUN1 pKi= 5.9
56 8.4 1.91039043663CS9 (35%) + NIL_A_5
QMean=0.444
P1: (6 Cplx.) RUN2 pKi= 7.1
57 8.4 2.11039045923EQR (40%) + T74_A_3
QMean=0.429
P1: (7 Cplx.) RUN0 pKi= 9.1
58 8.4 2.01039045924BBE (99%) + 3O4_A_5
QMean=0.474
P3: (3 Cplx.) RUN2 pKi= 9.1
59 8.4 2.21039044662G2H (35%) + P16_A_3
QMean=0.457
P1: (4 Cplx.) RUN1 pKi= 6.4
60 8.4 1.91039049174HVG (61%) + 19Q_A_2
QMean=0.522
P1: (4 Cplx.) RUN0 pKi= 9.9
61 8.4 1.61039045914BBE (99%) + 3O4_A_5
QMean=0.474
P1: (6 Cplx.) RUN0 pKi= 9.1
62 8.3 1.91039043663CS9 (35%) + NIL_A_5
QMean=0.444
P1: (4 Cplx.) RUN1 pKi= 7.1
63 8.3 2.21039047413CS9 (35%) + NIL_A_5
QMean=0.444
P1: (5 Cplx.) RUN2 pKi= 6.2
64 8.3 1.61039043353UGC (99%) + 046_A_2
QMean=0.554
P1: (3 Cplx.) RUN1 pKi= 6.6
65 8.3 2.31039047523IK3 (35%) + 0LI_B_4
QMean=0.469
P1: (3 Cplx.) RUN2 pKi= 6
66 8.3 1.61039052134BBF (99%) + O19_D_8
QMean=0.527
P2: (4 Cplx.) RUN0 pKi= 5.6
67 8.3 2.31039045914AOJ (34%) + V4Z_C_10
QMean=0.516
P1: (5 Cplx.) RUN1 pKi= 9.1
68 8.2 2.41039054783CS9 (35%) + NIL_A_5
QMean=0.444
P1: (4 Cplx.) RUN2 pKi= 6
69 8.2 1.41039054883LXL (62%) + IZA_A_2
QMean=0.516
P2: (4 Cplx.) RUN2 pKi= 8.4
70 8.2 2.01039043093CS9 (35%) + NIL_A_5
QMean=0.444
P1: (4 Cplx.) RUN1 pKi= 8
71 8.2 2.11039050331FPU (35%) + PRC_C_3
QMean=0.462
P1: (5 Cplx.) RUN0 pKi= 6.2
72 8.2 1.11039052134BBE (99%) + 3O4_A_5
QMean=0.474
P4: (3 Cplx.) RUN2 pKi= 5.6
73 8.2 2.21039042763UGC (99%) + 046_A_2
QMean=0.554
P1: (5 Cplx.) RUN0 pKi= 6.4
74 8.2 2.51039052193PYY (35%) + STI_A_5
QMean=0.495
P1: (4 Cplx.) RUN1 pKi= 6.3
75 8.2 1.61039046444BBE (99%) + 3O4_A_5
QMean=0.474
P2: (5 Cplx.) RUN2 pKi= 7.8
76 8.2 1.81039049174GII (53%) + 0X6_A_2
QMean=0.485
P1: (7 Cplx.) RUN2 pKi= 9.9
77 8.1 2.41039041903CS9 (35%) + NIL_A_5
QMean=0.444
P1: (13 Cplx.) RUN0 pKi= 6.1
78 8.1 2.41039043133PYY (35%) + STI_A_5
QMean=0.495
P1: (3 Cplx.) RUN2 pKi= 7.2
79 8.1 1.81039049174HVH (61%) + 19R_A_2
QMean=0.507
P1: (4 Cplx.) RUN1 pKi= 9.9
80 8.1 1.81039055314HVG (61%) + 19Q_A_2
QMean=0.522
P1: (11 Cplx.) RUN1 pKi= 9.1
81 8.1 2.11039055574GIH (53%) + 0X5_A_2
QMean=0.467
P2: (4 Cplx.) RUN1 pKi= 6.4
82 8.1 2.11039047522G2H (35%) + P16_A_3
QMean=0.457
P1: (3 Cplx.) RUN0 pKi= 6
83 8.1 2.21039045964GIH (53%) + 0X5_A_2
QMean=0.467
P1: (6 Cplx.) RUN1 pKi= 8.4
84 8.1 2.31039044652HZI (35%) + JIN_A_3
QMean=0.444
P2: (4 Cplx.) RUN0 pKi= 7.9
85 8.1 1.81039043254GII (53%) + 0X6_A_2
QMean=0.485
P1: (3 Cplx.) RUN2 pKi= 5.8
86 8.1 1.81039044583UGC (99%) + 046_A_2
QMean=0.554
P1: (5 Cplx.) RUN2 pKi= 7.3
87 8.1 2.01039047541FPU (35%) + PRC_C_3
QMean=0.462
P1: (3 Cplx.) RUN1 pKi= 6.5
88 8.1 1.91039042021FPU (35%) + PRC_C_3
QMean=0.462
P2: (3 Cplx.) RUN1 pKi= 6.1
89 8.1 2.31039052454GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (5 Cplx.) RUN2 pKi= 7
90 8.1 2.01039047854GJ3 (53%) + 0XP_A_2
QMean=0.479
P3: (3 Cplx.) RUN2 pKi= 7.5
91 8.1 2.31039051112HYY (35%) + STI_D_8
QMean=0.460
P1: (12 Cplx.) RUN0 pKi= 8.3
92 8.1 1.51039055314GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (11 Cplx.) RUN2 pKi= 9.1
93 8.0 2.11039044583UGC (99%) + 046_A_2
QMean=0.554
P1: (5 Cplx.) RUN1 pKi= 7.3
94 8.0 1.61039042714GJ3 (53%) + 0XP_A_2
QMean=0.479
P2: (3 Cplx.) RUN1 pKi= 5.8
95 8.0 1.81039042793CS9 (35%) + NIL_A_5
QMean=0.444
P1: (4 Cplx.) RUN1 pKi= 7.7
96 8.0 2.51039042003CS9 (35%) + NIL_A_5
QMean=0.444
P1: (13 Cplx.) RUN0 pKi= 6.1
97 8.0 2.11039042773UGC (99%) + 046_A_2
QMean=0.554
P1: (4 Cplx.) RUN1 pKi= 6.8
98 8.0 1.91039042194GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (3 Cplx.) RUN2 pKi= 5.6
99 8.0 2.21039047393UGC (99%) + 046_A_2
QMean=0.554
P1: (4 Cplx.) RUN1 pKi= 8.4
100 8.0 2.11039043254GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (3 Cplx.) RUN1 pKi= 5.8
101 8.0 2.41039056162F4J (35%) + VX6_B_2
QMean=0.467
P2: (4 Cplx.) RUN0 pKi= 7
102 8.0 1.61039042763UGC (99%) + 046_A_2
QMean=0.554
P1: (4 Cplx.) RUN1 pKi= 6.4
103 7.9 2.31039052474GII (53%) + 0X6_A_2
QMean=0.485
P4: (3 Cplx.) RUN2 pKi= 7
104 7.9 2.41039044713QRJ (35%) + 919_B_4
QMean=0.455
P1: (5 Cplx.) RUN0 pKi= 7.3
105 7.9 2.31039052151FPU (35%) + PRC_C_3
QMean=0.462
P1: (4 Cplx.) RUN1 pKi= 6.4
106 7.9 1.81039043133UGC (99%) + 046_A_2
QMean=0.554
P1: (4 Cplx.) RUN1 pKi= 7.2
107 7.9 1.51039047423UGC (99%) + 046_A_2
QMean=0.554
P1: (5 Cplx.) RUN2 pKi= 6.6
108 7.9 2.21039044833QRI (35%) + 919_A_5
QMean=0.456
P2: (4 Cplx.) RUN0 pKi= 6.8
109 7.9 2.11039054884BBE (99%) + 3O4_A_5
QMean=0.474
P3: (3 Cplx.) RUN0 pKi= 8.4
110 7.9 2.41039042753UGC (99%) + 046_A_2
QMean=0.554
P1: (9 Cplx.) RUN0 pKi= 5.9
111 7.8 1.91039055743LXL (62%) + IZA_A_2
QMean=0.516
P1: (5 Cplx.) RUN2 pKi= 7.4
112 7.8 2.01039052464GIH (53%) + 0X5_A_2
QMean=0.467
P1: (3 Cplx.) RUN1 pKi= 6.1
113 7.8 2.41039056164HVH (61%) + 19R_A_2
QMean=0.507
P1: (7 Cplx.) RUN2 pKi= 7
114 7.8 1.81039046443LXK (62%) + MI1_A_2
QMean=0.470
P1: (5 Cplx.) RUN0 pKi= 7.8
115 7.8 0.81039052724AOJ (34%) + V4Z_C_10
QMean=0.516
P1: (3 Cplx.) RUN0 pKi= 8.7
116 7.8 2.21039044721FPU (35%) + PRC_C_3
QMean=0.462
P2: (3 Cplx.) RUN2 pKi= 8.8
117 7.8 2.41039050943CS9 (35%) + NIL_A_5
QMean=0.444
P1: (6 Cplx.) RUN2 pKi= 6.6
118 7.8 0.81039052724AOJ (34%) + V4Z_C_10
QMean=0.516
P1: (10 Cplx.) RUN2 pKi= 8.7
119 7.8 1.71039043584E20 (53%) + 0MY_A_2
QMean=0.475
P2: (3 Cplx.) RUN0 pKi= 5.8
120 7.8 2.01039047822Z60 (35%) + P3Y_A_2
QMean=0.472
P1: (6 Cplx.) RUN1 pKi= 6
121 7.8 1.81039055314HVH (61%) + 19R_A_2
QMean=0.507
P1: (6 Cplx.) RUN0 pKi= 9.1
122 7.7 0.71039056103NZ0 (52%) + IZA_A_2
QMean=0.442
P2: (6 Cplx.) RUN0 pKi= 8.6
123 7.7 1.21039044044BBF (99%) + O19_D_8
QMean=0.527
P3: (3 Cplx.) RUN0 pKi= 7.5
124 7.7 1.91039052464GII (53%) + 0X6_A_2
QMean=0.485
P2: (3 Cplx.) RUN2 pKi= 6.1
125 7.7 2.51039052474GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (5 Cplx.) RUN1 pKi= 7
126 7.7 2.41039042174GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (6 Cplx.) RUN1 pKi= 5.9
127 7.7 2.11039042051FPU (35%) + PRC_C_3
QMean=0.462
P1: (9 Cplx.) RUN0 pKi= 6.9
128 7.7 2.51039042722HZI (35%) + JIN_B_4
QMean=0.447
P2: (4 Cplx.) RUN0 pKi= 5.8
129 7.7 2.21039050942G2H (35%) + P16_A_3
QMean=0.457
P2: (4 Cplx.) RUN1 pKi= 6.6
130 7.7 2.11039052154BBE (99%) + 3O4_A_5
QMean=0.474
P4: (3 Cplx.) RUN0 pKi= 6.4
131 7.7 2.41039046404GJ2 (53%) + 0XH_A_2
QMean=0.468
P2: (3 Cplx.) RUN0 pKi= 6.3
132 7.7 2.21039047822HZI (35%) + JIN_A_3
QMean=0.444
P2: (5 Cplx.) RUN0 pKi= 6
133 7.7 2.11039044662HZI (35%) + JIN_B_4
QMean=0.447
P1: (6 Cplx.) RUN0 pKi= 6.4
134 7.7 1.71039056103LXK (62%) + MI1_A_2
QMean=0.470
P1: (10 Cplx.) RUN1 pKi= 8.6
135 7.7 1.81039050104GII (53%) + 0X6_A_2
QMean=0.485
P1: (6 Cplx.) RUN2 pKi= 6.4
136 7.7 1.21039052724E1Z (53%) + 0MX_A_2
QMean=0.494
P1: (5 Cplx.) RUN1 pKi= 8.7
137 7.7 1.91039045994BBF (99%) + O19_D_8
QMean=0.527
P1: (4 Cplx.) RUN0 pKi= 8.6
138 7.7 2.21039046403UGC (99%) + 046_A_2
QMean=0.554
P3: (3 Cplx.) RUN2 pKi= 6.3
139 7.7 2.21039044682G2H (35%) + P16_B_4
QMean=0.466
P2: (3 Cplx.) RUN0 pKi= 5.9
140 7.6 1.71039047224GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (4 Cplx.) RUN1 pKi= 5.9
141 7.6 1.21039044054BBF (99%) + O19_D_8
QMean=0.527
P2: (5 Cplx.) RUN0 pKi= 7.5
142 7.6 2.31039052454GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (3 Cplx.) RUN1 pKi= 7
143 7.6 1.81039044024BBF (99%) + O19_D_8
QMean=0.527
P1: (4 Cplx.) RUN0 pKi= 8
144 7.6 2.41039055754GIH (53%) + 0X5_A_2
QMean=0.467
P1: (6 Cplx.) RUN1 pKi= 6.2
145 7.6 1.81039043363CS9 (35%) + NIL_A_5
QMean=0.444
P2: (3 Cplx.) RUN1 pKi= 5.8
146 7.6 2.51039052334BBF (99%) + O19_C_7
QMean=0.475
P1: (4 Cplx.) RUN0 pKi= 6.1
147 7.6 1.81039045054GIH (53%) + 0X5_A_2
QMean=0.467
P1: (3 Cplx.) RUN2 pKi= 6.9
148 7.6 2.41039046034GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (5 Cplx.) RUN2 pKi= 7.7
149 7.6 1.81039044794GIH (53%) + 0X5_A_2
QMean=0.467
P2: (3 Cplx.) RUN1 pKi= 5.9
150 7.6 2.41039052454GIH (53%) + 0X5_A_2
QMean=0.467
P1: (3 Cplx.) RUN0 pKi= 7
151 7.6 2.31039051594GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (4 Cplx.) RUN2 pKi= 6.7
152 7.6 2.01039047822Z60 (35%) + P3Y_A_2
QMean=0.472
P1: (4 Cplx.) RUN2 pKi= 6
153 7.6 1.81039045083QRI (35%) + 919_A_5
QMean=0.456
P1: (7 Cplx.) RUN0 pKi= 6.5
154 7.6 1.71039047234GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (3 Cplx.) RUN1 pKi= 5.9
155 7.6 2.51039041933CS9 (35%) + NIL_A_5
QMean=0.444
P1: (8 Cplx.) RUN0 pKi= 6.7
156 7.5 2.11039055752Z60 (35%) + P3Y_A_2
QMean=0.472
P3: (4 Cplx.) RUN2 pKi= 6.2
157 7.5 1.91039056844GIH (53%) + 0X5_A_2
QMean=0.467
P2: (3 Cplx.) RUN2 pKi= 7.1
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QMean=0.467
P2: (3 Cplx.) RUN2 pKi= 6.8
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QMean=0.444
P2: (4 Cplx.) RUN0 pKi= 6
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QMean=0.516
P1: (4 Cplx.) RUN2 pKi= 5.9
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QMean=0.485
P2: (4 Cplx.) RUN1 pKi= 7.2
162 7.5 2.11039056074BBE (99%) + 3O4_A_5
QMean=0.474
P1: (6 Cplx.) RUN1 pKi= 6.9
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QMean=0.460
P1: (6 Cplx.) RUN0 pKi= 6.2
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QMean=0.472
P1: (6 Cplx.) RUN0 pKi= 8.6
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QMean=0.475
P1: (5 Cplx.) RUN0 pKi= 6.2
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QMean=0.475
P1: (4 Cplx.) RUN2 pKi= 8.6
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QMean=0.457
P2: (3 Cplx.) RUN0 pKi= 9.1
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QMean=0.468
P1: (3 Cplx.) RUN1 pKi= 5.6
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QMean=0.472
P1: (8 Cplx.) RUN1 pKi= 6
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QMean=0.475
P3: (3 Cplx.) RUN0 pKi= 7.3
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QMean=0.472
P1: (12 Cplx.) RUN0 pKi= 6
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QMean=0.494
P2: (3 Cplx.) RUN2 pKi= 6.8
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QMean=0.470
P1: (10 Cplx.) RUN2 pKi= 8.6
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QMean=0.468
P1: (6 Cplx.) RUN2 pKi= 8
175 7.4 1.31039046444BBE (99%) + 3O4_A_5
QMean=0.474
P1: (5 Cplx.) RUN1 pKi= 7.8
176 7.4 1.41039049234GJ3 (53%) + 0XP_A_2
QMean=0.479
P2: (3 Cplx.) RUN1 pKi= 5.9
177 7.4 1.91039042744BBE (99%) + 3O4_A_5
QMean=0.474
P1: (4 Cplx.) RUN2 pKi= 5.8
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QMean=0.467
P1: (3 Cplx.) RUN2 pKi= 6.9
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QMean=0.475
P2: (3 Cplx.) RUN1 pKi= 8.8
180 7.4 2.41039056834ID7 (40%) + 1G0_A_2
QMean=0.458
P1: (3 Cplx.) RUN1 pKi= 6
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QMean=0.444
P1: (5 Cplx.) RUN2 pKi= 8.3
182 7.4 2.51039054064BBF (99%) + O19_C_7
QMean=0.475
P2: (3 Cplx.) RUN0 pKi= 5.9
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QMean=0.554
P1: (4 Cplx.) RUN2 pKi= 6.2
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QMean=0.467
P3: (3 Cplx.) RUN1 pKi= 7.1
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QMean=0.485
P1: (5 Cplx.) RUN2 pKi= 5.9
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QMean=0.474
P1: (6 Cplx.) RUN1 pKi= 6.7
187 7.4 2.01039050043KF4 (35%) + B90_B_4
QMean=0.433
P1: (13 Cplx.) RUN0 pKi= 7.9
188 7.4 2.21039054284GII (53%) + 0X6_A_2
QMean=0.485
P1: (3 Cplx.) RUN2 pKi= 6.1
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QMean=0.466
P1: (4 Cplx.) RUN0 pKi= 7.5
190 7.4 1.51039052132F4J (35%) + VX6_B_2
QMean=0.467
P3: (3 Cplx.) RUN1 pKi= 5.6
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QMean=0.468
P2: (4 Cplx.) RUN0 pKi= 6.2
192 7.4 1.61039045234BBF (99%) + O19_A_5
QMean=0.530
P1: (3 Cplx.) RUN2 pKi= 6.1
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QMean=0.472
P1: (9 Cplx.) RUN2 pKi= 6
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QMean=0.516
P1: (8 Cplx.) RUN2 pKi= 7.3
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QMean=0.554
P1: (12 Cplx.) RUN2 pKi= 7.3
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QMean=0.457
P1: (3 Cplx.) RUN1 pKi= 6.2
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QMean=0.466
P1: (5 Cplx.) RUN0 pKi= 7.5
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QMean=0.467
P1: (4 Cplx.) RUN2 pKi= 6.3
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QMean=0.527
P3: (3 Cplx.) RUN0 pKi= 5.9
200 7.3 1.61039051372Z60 (35%) + P3Y_A_2
QMean=0.472
P1: (4 Cplx.) RUN1 pKi= 7.9
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QMean=0.527
P2: (4 Cplx.) VALID0 -= -
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QMean=0.467
P2: (5 Cplx.) RUN2 pKi= 6.4
203 7.3 1.71039050112G2H (35%) + P16_A_3
QMean=0.457
P1: (7 Cplx.) RUN2 pKi= 6.4
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QMean=0.474
P1: (5 Cplx.) RUN2 pKi= 6.1
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QMean=0.474
P1: (6 Cplx.) RUN1 pKi= 6.7
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QMean=0.466
P2: (6 Cplx.) RUN0 pKi= 5.9
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QMean=0.444
P1: (4 Cplx.) RUN2 pKi= 7.1
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QMean=0.494
P1: (4 Cplx.) RUN2 pKi= 9.1
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QMean=0.464
P1: (9 Cplx.) RUN0 pKi= 7.3
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QMean=0.464
P1: (9 Cplx.) RUN0 pKi= 7.3
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QMean=0.457
P1: (3 Cplx.) RUN2 pKi= 6.3
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QMean=0.530
P1: (8 Cplx.) RUN0 pKi= 7.2
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QMean=0.472
P1: (6 Cplx.) RUN2 pKi= 6
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QMean=0.444
P1: (4 Cplx.) RUN1 pKi= 5.9
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QMean=0.444
P1: (3 Cplx.) RUN1 pKi= 7.4
216 7.2 2.01039054284GIH (53%) + 0X5_A_2
QMean=0.467
P1: (4 Cplx.) RUN1 pKi= 6.1
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QMean=0.455
P1: (5 Cplx.) RUN0 pKi= 6.4
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QMean=0.472
P1: (4 Cplx.) RUN0 pKi= 6.8
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QMean=0.468
P1: (4 Cplx.) VALID0 -= -
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QMean=0.447
P2: (3 Cplx.) RUN0 pKi= 6
221 7.2 1.11039044044GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (4 Cplx.) RUN2 pKi= 7.5
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QMean=0.472
P3: (3 Cplx.) RUN2 pKi= 7.7
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QMean=0.554
P1: (6 Cplx.) RUN1 pKi= 6.6
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QMean=0.444
P1: (4 Cplx.) RUN1 pKi= 5.9
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QMean=0.475
P1: (5 Cplx.) RUN2 pKi= 8.6
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QMean=0.474
P1: (5 Cplx.) RUN2 pKi= 7.5
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QMean=0.444
P2: (3 Cplx.) RUN1 pKi= 7.4
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QMean=0.429
P2: (4 Cplx.) RUN0 pKi= 7.4
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QMean=0.467
P2: (4 Cplx.) RUN2 pKi= 7.6
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QMean=0.457
P1: (3 Cplx.) RUN2 pKi= 6.2
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QMean=0.494
P3: (3 Cplx.) RUN1 pKi= 7.6
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QMean=0.530
P1: (7 Cplx.) VALID2 -= -
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QMean=0.485
P2: (5 Cplx.) RUN0 pKi= 7.6
234 7.1 1.71039051724GII (53%) + 0X6_A_2
QMean=0.485
P2: (3 Cplx.) RUN2 pKi= 6
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QMean=0.468
P2: (4 Cplx.) RUN1 pKi= 6.3
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QMean=0.468
P1: (4 Cplx.) RUN1 pKi= 5.9
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QMean=0.472
P1: (7 Cplx.) RUN1 pKi= 6
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QMean=0.467
P1: (4 Cplx.) RUN1 pKi= 7.9
239 7.1 2.01039041994GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (6 Cplx.) RUN2 pKi= 5.9
240 7.1 2.31039045994GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (4 Cplx.) RUN1 pKi= 8.6
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QMean=0.472
P3: (3 Cplx.) RUN1 pKi= 8.3
242 7.1 2.21039052593UGC (99%) + 046_A_2
QMean=0.554
P1: (3 Cplx.) RUN1 pKi= 6.2
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QMean=0.554
P3: (3 Cplx.) RUN0 pKi= 6.1
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QMean=0.475
P1: (9 Cplx.) RUN0 pKi= 6.7
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QMean=0.472
P2: (3 Cplx.) VALID0 -= -
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QMean=0.446
P2: (4 Cplx.) RUN0 pKi= 6
247 7.1 1.51039053622Z60 (35%) + P3Y_A_2
QMean=0.472
P1: (6 Cplx.) RUN0 pKi= 6
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QMean=0.457
P1: (13 Cplx.) RUN1 pKi= 6.4
249 7.1 2.21039048684BBE (99%) + 3O4_A_5
QMean=0.474
P3: (3 Cplx.) RUN0 pKi= 5.6
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QMean=0.457
P2: (5 Cplx.) RUN1 pKi= 5.7
251 7.0 1.91039054294GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (3 Cplx.) RUN1 pKi= 5.9
252 7.0 1.54D1S_BJG4BBE (99%) + 3O4_C_7
QMean=0.478
P3: (3 Cplx.) VALID2 -= -
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QMean=0.444
P2: (5 Cplx.) RUN0 pKi= 4.2
254 7.0 2.21039049044AOJ (34%) + V4Z_C_10
QMean=0.516
P1: (6 Cplx.) RUN1 pKi= 7.3
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QMean=0.530
P1: (3 Cplx.) RUN2 pKi= 7.2
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QMean=0.457
P3: (3 Cplx.) RUN1 pKi= 6
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QMean=0.516
P1: (9 Cplx.) RUN1 pKi= 7.3
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QMean=0.474
P1: (4 Cplx.) RUN2 pKi= 5.9
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QMean=0.517
P1: (4 Cplx.) RUN2 pKi= 6.7
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QMean=0.472
P3: (3 Cplx.) RUN1 pKi= 7
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QMean=0.472
P1: (10 Cplx.) RUN0 pKi= 6
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QMean=0.468
P1: (4 Cplx.) RUN1 pKi= 6
263 7.0 2.31039044064GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (5 Cplx.) RUN1 pKi= 8.6
264 7.0 1.01039046494GII (53%) + 0X6_A_2
QMean=0.485
P1: (7 Cplx.) RUN2 pKi= 7.1
265 7.0 1.61039046362G2H (35%) + P16_A_3
QMean=0.457
P3: (3 Cplx.) RUN2 pKi= 7.6
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QMean=0.468
P1: (8 Cplx.) RUN2 pKi= 6.1
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QMean=0.457
P2: (4 Cplx.) RUN2 pKi= 7.9
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QMean=0.457
P1: (5 Cplx.) RUN1 pKi= 5.9
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QMean=0.467
P1: (8 Cplx.) RUN1 pKi= 8.3
270 6.9 2.01039054884GII (53%) + 0X6_A_2
QMean=0.485
P1: (4 Cplx.) RUN1 pKi= 8.4
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QMean=0.447
P1: (10 Cplx.) RUN0 pKi= 6.2
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QMean=0.466
P1: (7 Cplx.) RUN0 pKi= 8.2
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QMean=0.457
P2: (4 Cplx.) RUN2 pKi= 5.7
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QMean=0.444
P1: (4 Cplx.) RUN1 pKi= 7.2
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QMean=0.475
P3: (3 Cplx.) RUN1 pKi= 7.1
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QMean=0.457
P1: (9 Cplx.) RUN1 pKi= 5.7
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QMean=0.468
P2: (3 Cplx.) RUN1 pKi= 6.7
278 6.9 1.41039041924HVH (61%) + 19R_A_2
QMean=0.507
P1: (3 Cplx.) RUN2 pKi= 7.5
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QMean=0.475
P1: (3 Cplx.) RUN2 pKi= 6.2
280 6.9 1.81039045114GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (3 Cplx.) RUN1 pKi= 6.8
281 6.9 1.61039055434GIH (53%) + 0X5_A_2
QMean=0.467
P1: (3 Cplx.) RUN1 pKi= 5.9
282 6.9 0.91039044894E20 (53%) + 0MY_A_2
QMean=0.475
P2: (3 Cplx.) RUN2 pKi= 7.3
283 6.9 1.81039055042F4J (35%) + VX6_B_2
QMean=0.467
P1: (6 Cplx.) RUN0 pKi= 7.9
284 6.9 1.71039042204GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (4 Cplx.) RUN1 pKi= 6.5
285 6.9 2.01039046053EQR (40%) + T74_A_3
QMean=0.429
P2: (5 Cplx.) RUN0 pKi= 8.4
286 6.8 1.91039044874E20 (53%) + 0MY_A_2
QMean=0.475
P2: (3 Cplx.) RUN0 pKi= 7.1
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QMean=0.507
P1: (5 Cplx.) RUN1 pKi= 6.1
288 6.8 1.61039048184ID7 (40%) + 1G0_A_2
QMean=0.458
P1: (4 Cplx.) RUN2 pKi= 7.2
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QMean=0.457
P1: (6 Cplx.) RUN2 pKi= 6.2
290 6.8 1.61039041904HVH (61%) + 19R_A_2
QMean=0.507
P1: (4 Cplx.) RUN1 pKi= 6.1
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QMean=0.485
P2: (3 Cplx.) RUN2 pKi= 5.6
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QMean=0.457
P1: (10 Cplx.) RUN1 pKi= 6.4
293 6.8 2.21039042763KFA (35%) + B91_B_4
QMean=0.437
P1: (3 Cplx.) RUN2 pKi= 6.4
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QMean=0.468
P2: (4 Cplx.) RUN1 pKi= 7.6
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QMean=0.472
P1: (9 Cplx.) VALID2 -= -
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QMean=0.433
P1: (5 Cplx.) RUN2 pKi= 6.1
297 6.8 1.41039041904HVH (61%) + 19R_A_2
QMean=0.507
P4: (3 Cplx.) RUN2 pKi= 6.1
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QMean=0.479
P1: (5 Cplx.) RUN2 pKi= 5.9
299 6.8 1.91039045263KFA (35%) + B91_B_4
QMean=0.437
P2: (3 Cplx.) RUN1 pKi= 6.1
300 6.8 2.21039043364GII (53%) + 0X6_A_2
QMean=0.485
P1: (5 Cplx.) RUN2 pKi= 5.8
301 6.8 1.91039055434GII (53%) + 0X6_A_2
QMean=0.485
P3: (3 Cplx.) RUN2 pKi= 5.9
302 6.8 2.11039046394GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (4 Cplx.) RUN2 pKi= 6
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QMean=0.507
P1: (4 Cplx.) RUN1 pKi= 6.8
304 6.8 2.21039046034GII (53%) + 0X6_A_2
QMean=0.485
P1: (5 Cplx.) RUN1 pKi= 7.7
305 6.8 1.81039042004HVG (61%) + 19Q_A_2
QMean=0.522
P3: (3 Cplx.) RUN2 pKi= 6.1
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QMean=0.433
P1: (7 Cplx.) RUN1 pKi= 6.1
307 6.8 1.51039050554E1Z (53%) + 0MX_A_2
QMean=0.494
P2: (4 Cplx.) RUN2 pKi= 7.8
308 6.8 2.21039054064E1Z (53%) + 0MX_A_2
QMean=0.494
P1: (4 Cplx.) RUN1 pKi= 5.9
309 6.7 2.11039051822G2H (35%) + P16_A_3
QMean=0.457
P1: (7 Cplx.) RUN1 pKi= 6.2
310 6.7 1.71039046104BBF (99%) + O19_D_8
QMean=0.527
P1: (10 Cplx.) RUN0 pKi= 7.8
311 6.7 1.61039045254BBE (99%) + 3O4_A_5
QMean=0.474
P1: (5 Cplx.) RUN1 pKi= 6.5
312 6.7 2.41039052832HYY (35%) + STI_C_7
QMean=0.438
P1: (13 Cplx.) RUN0 pKi= 4.9
313 6.7 1.21039044834E20 (53%) + 0MY_A_2
QMean=0.475
P1: (5 Cplx.) RUN1 pKi= 6.8
314 6.7 1.51039042164HVD (61%) + 933_A_3
QMean=0.517
P2: (3 Cplx.) RUN2 pKi= 6.8
315 6.7 1.61039052334GII (53%) + 0X6_A_2
QMean=0.485
P1: (4 Cplx.) RUN1 pKi= 6.1
316 6.7 2.41039042174BBF (99%) + O19_A_5
QMean=0.530
P3: (3 Cplx.) RUN0 pKi= 5.9
317 6.7 2.31039051364BBE (99%) + 3O4_A_5
QMean=0.474
P1: (3 Cplx.) RUN2 pKi= 7.4
318 6.7 1.81039049183LXL (62%) + IZA_A_2
QMean=0.516
P1: (5 Cplx.) RUN1 pKi= 9.1
319 6.7 1.51039046044BBE (99%) + 3O4_A_5
QMean=0.474
P2: (3 Cplx.) RUN2 pKi= 7.5
320 6.7 2.21039050953KF4 (35%) + B90_B_4
QMean=0.433
P1: (7 Cplx.) RUN2 pKi= 6.1
321 6.7 2.41039051123CS9 (35%) + NIL_A_5
QMean=0.444
P2: (6 Cplx.) RUN2 pKi= 6.7
322 6.7 2.41039056484BBE (99%) + 3O4_A_5
QMean=0.474
P1: (4 Cplx.) RUN1 pKi= 6.6
323 6.7 1.41039055584AOJ (34%) + V4Z_C_10
QMean=0.516
P2: (3 Cplx.) RUN2 pKi= 7.6
324 6.7 2.51039056042G2H (35%) + P16_A_3
QMean=0.457
P2: (3 Cplx.) RUN2 pKi= 5.7
325 6.7 2.41039054783IK3 (35%) + 0LI_B_4
QMean=0.469
P1: (4 Cplx.) RUN1 pKi= 6
326 6.7 2.31039043703CS9 (35%) + NIL_A_5
QMean=0.444
P2: (3 Cplx.) RUN2 pKi= 6.2
327 6.7 2.21039051604GII (53%) + 0X6_A_2
QMean=0.485
P2: (3 Cplx.) RUN1 pKi= 6.9
328 6.7 2.41039046624GII (53%) + 0X6_A_2
QMean=0.485
P2: (3 Cplx.) RUN2 pKi= 6.4
329 6.6 1.51039045084BBE (99%) + 3O4_A_5
QMean=0.474
P1: (5 Cplx.) RUN1 pKi= 6.5
330 6.6 1.81039050044GII (53%) + 0X6_A_2
QMean=0.485
P1: (7 Cplx.) RUN1 pKi= 7.9
331 6.6 1.41039052122Z60 (35%) + P3Y_A_2
QMean=0.472
P2: (4 Cplx.) RUN0 pKi= 6.8
332 6.6 1.81039054604BBE (99%) + 3O4_A_5
QMean=0.474
P1: (7 Cplx.) RUN2 pKi= 6.2
333 6.6 1.44C62_XWW4AOJ (34%) + V4Z_C_10
QMean=0.516
P2: (3 Cplx.) VALID2 -= -
334 6.6 2.31039056574GIH (53%) + 0X5_A_2
QMean=0.467
P1: (3 Cplx.) RUN1 pKi= 7
335 6.6 2.21039046584BBE (99%) + 3O4_A_5
QMean=0.474
P1: (3 Cplx.) RUN2 pKi= 6.4
336 6.6 2.31039046494FYO (36%) + 0VF_A_2
QMean=0.472
P4: (3 Cplx.) RUN0 pKi= 7.1
337 6.6 1.91039047314AOJ (34%) + V4Z_C_10
QMean=0.516
P3: (3 Cplx.) RUN1 pKi= 5.9
338 6.6 1.71039051824FYO (36%) + 0VF_A_2
QMean=0.472
P1: (5 Cplx.) RUN2 pKi= 6.2
339 6.6 1.61039052734HVD (61%) + 933_A_3
QMean=0.517
P3: (3 Cplx.) RUN2 pKi= 8.5
340 6.6 2.41039048804GII (53%) + 0X6_A_2
QMean=0.485
P1: (6 Cplx.) RUN0 pKi= 5.6
341 6.6 2.21039045934GIH (53%) + 0X5_A_2
QMean=0.467
P1: (3 Cplx.) RUN1 pKi= 7.4
342 6.6 2.21039052301FPU (35%) + PRC_C_3
QMean=0.462
P2: (3 Cplx.) RUN1 pKi= 4.5
343 6.5 1.61039045944GJ3 (53%) + 0XP_A_2
QMean=0.479
P2: (4 Cplx.) RUN2 pKi= 7.5
344 6.5 1.31039042152Z60 (35%) + P3Y_A_2
QMean=0.472
P1: (13 Cplx.) RUN1 pKi= 6.2
345 6.5 1.61039042054GII (53%) + 0X6_A_2
QMean=0.485
P1: (6 Cplx.) RUN2 pKi= 6.9
346 6.5 2.01039045194E1Z (53%) + 0MX_A_2
QMean=0.494
P2: (3 Cplx.) RUN2 pKi= 6.2
347 6.5 1.61039055044E20 (53%) + 0MY_A_2
QMean=0.475
P2: (3 Cplx.) RUN1 pKi= 7.9
348 6.5 2.21039042151FPU (35%) + PRC_C_3
QMean=0.462
P1: (10 Cplx.) RUN2 pKi= 6.2
349 6.5 1.41039045904BBE (99%) + 3O4_A_5
QMean=0.474
P1: (4 Cplx.) RUN2 pKi= 6.2
350 6.5 1.71039045674GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (3 Cplx.) RUN1 pKi= 6.3
351 6.5 1.71039052744GIH (53%) + 0X5_A_2
QMean=0.467
P1: (10 Cplx.) RUN1 pKi= 4.3
352 6.5 1.31039052122Z60 (35%) + P3Y_A_2
QMean=0.472
P1: (7 Cplx.) RUN2 pKi= 6.8
353 6.5 2.41039056824GII (53%) + 0X6_A_2
QMean=0.485
P1: (3 Cplx.) RUN1 pKi= 6
354 6.5 2.21039041894GIH (53%) + 0X5_A_2
QMean=0.467
P1: (4 Cplx.) RUN2 pKi= 6.7
355 6.5 0.91039044874E1Z (53%) + 0MX_A_2
QMean=0.494
P1: (3 Cplx.) RUN2 pKi= 7.1
356 6.5 1.71039042754GJ3 (53%) + 0XP_A_2
QMean=0.479
P2: (4 Cplx.) RUN2 pKi= 5.9
357 6.5 0.91039044714E20 (53%) + 0MY_A_2
QMean=0.475
P1: (3 Cplx.) RUN1 pKi= 7.3
358 6.5 1.61039042144HVG (61%) + 19Q_A_2
QMean=0.522
P1: (4 Cplx.) RUN1 pKi= 6.4
359 6.4 2.01039042024BBF (99%) + O19_A_5
QMean=0.530
P3: (3 Cplx.) RUN0 pKi= 6.1
360 6.4 2.11039047414GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (4 Cplx.) RUN1 pKi= 6.2
361 6.4 2.44D0X_9534BBE (99%) + 3O4_A_5
QMean=0.474
P3: (3 Cplx.) VALID0 -= -
362 6.4 1.51039047312G2H (35%) + P16_A_3
QMean=0.457
P3: (3 Cplx.) RUN2 pKi= 5.9
363 6.4 2.11039043704BBE (99%) + 3O4_A_5
QMean=0.474
P2: (3 Cplx.) RUN0 pKi= 6.2
364 6.4 0.91039044834E1Z (53%) + 0MX_A_2
QMean=0.494
P1: (3 Cplx.) RUN2 pKi= 6.8
365 6.4 1.61039045934GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (4 Cplx.) RUN2 pKi= 7.4
366 6.4 1.54P7E_2HB4BBF (99%) + O19_D_8
QMean=0.527
P4: (3 Cplx.) VALID2 -= -
367 6.4 1.61039042054HVH (61%) + 19R_A_2
QMean=0.507
P2: (3 Cplx.) RUN1 pKi= 6.9
368 6.4 1.81039044042F4J (35%) + VX6_B_2
QMean=0.467
P1: (4 Cplx.) RUN1 pKi= 7.5
369 6.4 1.11039045254E1Z (53%) + 0MX_A_2
QMean=0.494
P3: (3 Cplx.) RUN2 pKi= 6.5
370 6.4 2.01039052752QOH (35%) + P3Y_A_3
QMean=0.432
P2: (3 Cplx.) RUN0 pKi= 5.6
371 6.4 2.31039048644BBF (99%) + O19_A_5
QMean=0.530
P1: (6 Cplx.) RUN2 pKi= 5.9
372 6.4 2.34D0X_9534BBE (99%) + 3O4_A_5
QMean=0.474
P1: (5 Cplx.) VALID2 -= -
373 6.4 2.51039048804GII (53%) + 0X6_A_2
QMean=0.485
P2: (3 Cplx.) RUN2 pKi= 5.6
374 6.4 2.41039042851FPU (35%) + PRC_C_3
QMean=0.462
P2: (3 Cplx.) RUN2 pKi= 6.3
375 6.4 2.11039048624E20 (53%) + 0MY_A_2
QMean=0.475
P3: (3 Cplx.) RUN1 pKi= 6.1
376 6.4 2.21039046104GII (53%) + 0X6_A_2
QMean=0.485
P1: (8 Cplx.) RUN2 pKi= 7.8
377 6.4 2.11039046124GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (4 Cplx.) RUN1 pKi= 8.2
378 6.4 2.01039052734E1Z (53%) + 0MX_A_2
QMean=0.494
P1: (3 Cplx.) RUN1 pKi= 8.5
379 6.4 1.91039053622G2H (35%) + P16_A_3
QMean=0.457
P1: (4 Cplx.) RUN2 pKi= 6
380 6.4 1.81039043074GII (53%) + 0X6_A_2
QMean=0.485
P1: (3 Cplx.) RUN2 pKi= 6.3
381 6.3 1.11039054042Z60 (35%) + P3Y_A_2
QMean=0.472
P2: (3 Cplx.) RUN1 pKi= 6.4
382 6.3 2.31039052264GII (53%) + 0X6_A_2
QMean=0.485
P1: (5 Cplx.) RUN2 pKi= 6.1
383 6.3 1.41039046054GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (5 Cplx.) RUN2 pKi= 8.4
384 6.3 2.11039051134GIH (53%) + 0X5_A_2
QMean=0.467
P2: (5 Cplx.) RUN1 pKi= 6.7
385 6.3 2.41039048064GIH (53%) + 0X5_A_2
QMean=0.467
P1: (5 Cplx.) RUN2 pKi= 6.2
386 6.3 2.31039046843KF4 (35%) + B90_B_4
QMean=0.433
P1: (5 Cplx.) RUN1 pKi= 6
387 6.3 1.01039044714E1Z (53%) + 0MX_A_2
QMean=0.494
P3: (3 Cplx.) RUN2 pKi= 7.3
388 6.3 1.41039041924HVH (61%) + 19R_A_2
QMean=0.507
P1: (4 Cplx.) RUN1 pKi= 7.5
389 6.3 2.21039056203KF4 (35%) + B90_B_4
QMean=0.433
P3: (3 Cplx.) RUN2 pKi= 5.7
390 6.3 1.61039046124GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (4 Cplx.) RUN2 pKi= 8.2
391 6.3 2.54C61_LMM2G2H (35%) + P16_B_4
QMean=0.466
P2: (3 Cplx.) VALID2 -= -
392 6.3 2.21039048684GII (53%) + 0X6_A_2
QMean=0.485
P1: (3 Cplx.) RUN2 pKi= 5.6
393 6.3 2.31039052303IK3 (35%) + 0LI_B_4
QMean=0.469
P3: (3 Cplx.) RUN0 pKi= 4.5
394 6.3 1.11039045254E1Z (53%) + 0MX_A_2
QMean=0.494
P2: (3 Cplx.) RUN0 pKi= 6.5
395 6.3 2.21039050892Z60 (35%) + P3Y_A_2
QMean=0.472
P3: (3 Cplx.) RUN0 pKi= 6
396 6.3 1.61039042201FPU (35%) + PRC_C_3
QMean=0.462
P3: (3 Cplx.) RUN2 pKi= 6.5
397 6.3 2.51039052303PYY (35%) + STI_A_5
QMean=0.495
P1: (4 Cplx.) RUN2 pKi= 4.5
398 6.3 1.51039042014GJ2 (53%) + 0XH_A_2
QMean=0.468
P2: (3 Cplx.) RUN1 pKi= 7.2
399 6.3 1.91039045263UGC (99%) + 046_A_2
QMean=0.554
P2: (3 Cplx.) RUN2 pKi= 6.1
400 6.3 1.61039054494GJ2 (53%) + 0XH_A_2
QMean=0.468
P2: (4 Cplx.) RUN1 pKi= 6.1
401 6.3 2.21039056803LXL (62%) + IZA_A_2
QMean=0.516
P2: (4 Cplx.) RUN2 pKi= 6.3
402 6.3 2.51039056804GII (53%) + 0X6_A_2
QMean=0.485
P2: (3 Cplx.) RUN1 pKi= 6.3
403 6.2 2.51039045682HYY (35%) + STI_C_7
QMean=0.438
P1: (7 Cplx.) RUN0 pKi= 4
404 6.2 2.51039050934GII (53%) + 0X6_A_2
QMean=0.485
P1: (4 Cplx.) RUN1 pKi= 5.6
405 6.2 1.01039044824E1Z (53%) + 0MX_A_2
QMean=0.494
P1: (5 Cplx.) RUN2 pKi= 6.8
406 6.2 1.51039047364BBE (99%) + 3O4_A_5
QMean=0.474
P1: (5 Cplx.) RUN2 pKi= 5.9
407 6.2 1.31039054044GIH (53%) + 0X5_A_2
QMean=0.467
P2: (3 Cplx.) RUN2 pKi= 6.4
408 6.2 1.51039042144HVH (61%) + 19R_A_2
QMean=0.507
P4: (3 Cplx.) RUN2 pKi= 6.4
409 6.2 2.01039046053LXK (62%) + MI1_A_2
QMean=0.470
P1: (4 Cplx.) RUN1 pKi= 8.4
410 6.2 1.51039050554E1Z (53%) + 0MX_A_2
QMean=0.494
P2: (4 Cplx.) RUN1 pKi= 7.8
411 6.2 1.51039052764HVD (61%) + 933_A_3
QMean=0.517
P2: (3 Cplx.) RUN2 pKi= 9.1
412 6.2 1.91039054604BBE (99%) + 3O4_A_5
QMean=0.474
P1: (6 Cplx.) RUN1 pKi= 6.2
413 6.2 2.31039056203EQR (40%) + T74_B_5
QMean=0.466
P2: (3 Cplx.) RUN0 pKi= 5.7
414 6.2 1.51039052764GII (53%) + 0X6_A_2
QMean=0.485
P2: (3 Cplx.) RUN1 pKi= 9.1
415 6.2 1.41039045954GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (4 Cplx.) RUN1 pKi= 7.6
416 6.2 2.21039053613EQP (40%) + T95_B_3
QMean=0.418
P1: (12 Cplx.) RUN0 pKi= 5.6
417 6.2 1.11039044824E1Z (53%) + 0MX_A_2
QMean=0.494
P3: (3 Cplx.) RUN1 pKi= 6.8
418 6.2 2.01039047894GII (53%) + 0X6_A_2
QMean=0.485
P2: (4 Cplx.) RUN2 pKi= 6.4
419 6.1 1.51039042034HVH (61%) + 19R_A_2
QMean=0.507
P3: (3 Cplx.) RUN1 pKi= 6.6
420 6.1 1.21039052754GII (53%) + 0X6_A_2
QMean=0.485
P1: (6 Cplx.) RUN2 pKi= 5.6
421 6.1 1.41039053622Z60 (35%) + P3Y_A_2
QMean=0.472
P3: (3 Cplx.) RUN1 pKi= 6
422 6.1 1.41039045904GIH (53%) + 0X5_A_2
QMean=0.467
P1: (3 Cplx.) RUN1 pKi= 6.2
423 6.1 2.01039042094GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (7 Cplx.) RUN1 pKi= 6.3
424 6.1 2.11039055944BBE (99%) + 3O4_A_5
QMean=0.474
P2: (3 Cplx.) RUN2 pKi= 5.9
425 6.1 1.61039046104BBE (99%) + 3O4_A_5
QMean=0.474
P1: (6 Cplx.) RUN1 pKi= 7.8
426 6.1 1.71039053684HVG (61%) + 19Q_A_2
QMean=0.522
P2: (3 Cplx.) RUN1 pKi= 6
427 6.1 1.41039052754GII (53%) + 0X6_A_2
QMean=0.485
P1: (5 Cplx.) RUN1 pKi= 5.6
428 6.1 2.11039056392HZI (35%) + JIN_B_4
QMean=0.447
P2: (4 Cplx.) RUN0 pKi= 7.1
429 6.1 1.51039046494GIH (53%) + 0X5_A_2
QMean=0.467
P2: (3 Cplx.) RUN1 pKi= 7.1
430 6.0 1.71039054494BBF (99%) + O19_C_7
QMean=0.475
P1: (6 Cplx.) RUN0 pKi= 6.1
431 6.0 1.21039044824E1Z (53%) + 0MX_A_2
QMean=0.494
P3: (3 Cplx.) RUN0 pKi= 6.8
432 6.0 1.31039054504GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (5 Cplx.) RUN2 pKi= 5.9
433 6.0 2.24D0W_VVQ4BBE (99%) + 3O4_A_5
QMean=0.474
P2: (6 Cplx.) VALID2 -= -
434 6.0 1.51039044034BBF (99%) + O19_A_5
QMean=0.530
P1: (5 Cplx.) RUN1 pKi= 7.2
435 6.0 1.31039046144GIH (53%) + 0X5_A_2
QMean=0.467
P1: (5 Cplx.) RUN1 pKi= 6.7
436 6.0 2.41039054203KF4 (35%) + B90_B_4
QMean=0.433
P2: (4 Cplx.) RUN1 pKi= 6.5
437 6.0 2.11039055764GIH (53%) + 0X5_A_2
QMean=0.467
P4: (3 Cplx.) RUN0 pKi= 5.9
438 6.0 2.51039048064BBF (99%) + O19_A_5
QMean=0.530
P1: (7 Cplx.) RUN1 pKi= 6.2
439 6.0 2.41039048074GII (53%) + 0X6_A_2
QMean=0.485
P1: (4 Cplx.) RUN1 pKi= 5.6
440 6.0 1.21039047364GII (53%) + 0X6_A_2
QMean=0.485
P1: (3 Cplx.) RUN1 pKi= 5.9
441 6.0 1.21039044654E1Z (53%) + 0MX_A_2
QMean=0.494
P3: (3 Cplx.) RUN2 pKi= 7.9
442 6.0 2.51039042924GIH (53%) + 0X5_A_2
QMean=0.467
P1: (4 Cplx.) RUN2 pKi= 6.2
443 5.9 2.21039044052G2H (35%) + P16_A_3
QMean=0.457
P2: (4 Cplx.) RUN1 pKi= 7.5
444 5.9 2.34D0W_VVQ4BBE (99%) + 3O4_A_5
QMean=0.474
P3: (3 Cplx.) VALID0 -= -
445 5.9 1.11039050894BBF (99%) + O19_A_5
QMean=0.530
P3: (3 Cplx.) RUN2 pKi= 6
446 5.9 0.71039047354E1Z (53%) + 0MX_A_2
QMean=0.494
P1: (5 Cplx.) RUN1 pKi= 5.1
447 5.9 2.21039043094GII (53%) + 0X6_A_2
QMean=0.485
P2: (4 Cplx.) RUN0 pKi= 8
448 5.9 2.21039052744BBF (99%) + O19_D_8
QMean=0.527
P1: (11 Cplx.) RUN0 pKi= 4.3
449 5.9 2.11039052321FPU (35%) + PRC_C_3
QMean=0.462
P3: (3 Cplx.) RUN1 pKi= 4
450 5.9 1.91039054194HVG (61%) + 19Q_A_2
QMean=0.522
P2: (3 Cplx.) RUN2 pKi= 8.4
451 5.9 1.91039053684HVG (61%) + 19Q_A_2
QMean=0.522
P1: (4 Cplx.) RUN2 pKi= 6
452 5.9 1.21039046044GIH (53%) + 0X5_A_2
QMean=0.467
P2: (3 Cplx.) RUN1 pKi= 7.5
453 5.9 2.01039051074GII (53%) + 0X6_A_2
QMean=0.485
P1: (4 Cplx.) RUN2 pKi= 6.1
454 5.9 2.21039054073UGC (99%) + 046_A_2
QMean=0.554
P1: (14 Cplx.) RUN1 pKi= 6.4
455 5.9 1.21039042034GIH (53%) + 0X5_A_2
QMean=0.467
P2: (4 Cplx.) RUN2 pKi= 6.6
456 5.9 1.81039047353PYY (35%) + STI_A_5
QMean=0.495
P2: (4 Cplx.) RUN2 pKi= 5.1
457 5.9 1.91039048644GII (53%) + 0X6_A_2
QMean=0.485
P1: (4 Cplx.) RUN1 pKi= 5.9
458 5.8 2.51039044412G2H (35%) + P16_A_3
QMean=0.457
P2: (5 Cplx.) RUN2 pKi= 5.6
459 5.8 2.21039054073UGC (99%) + 046_A_2
QMean=0.554
P1: (13 Cplx.) RUN2 pKi= 6.4
460 5.8 1.91039048214BBF (99%) + O19_A_5
QMean=0.530
P2: (3 Cplx.) RUN1 pKi= 5.6
461 5.8 2.01039052832Z60 (35%) + P3Y_A_2
QMean=0.472
P1: (8 Cplx.) RUN2 pKi= 4.9
462 5.8 1.91039052832Z60 (35%) + P3Y_A_2
QMean=0.472
P1: (8 Cplx.) RUN1 pKi= 4.9
463 5.8 2.31039047352HZI (35%) + JIN_A_3
QMean=0.444
P1: (8 Cplx.) RUN0 pKi= 5.1
464 5.8 2.11039041994GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (4 Cplx.) RUN1 pKi= 5.9
465 5.8 1.51039055044GII (53%) + 0X6_A_2
QMean=0.485
P1: (4 Cplx.) RUN2 pKi= 7.9
466 5.8 1.91039045944GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (4 Cplx.) RUN1 pKi= 7.5
467 5.7 1.81039048213LXL (62%) + IZA_A_2
QMean=0.516
P2: (3 Cplx.) RUN2 pKi= 5.6
468 5.7 2.21039051172G2H (35%) + P16_A_3
QMean=0.457
P5: (3 Cplx.) RUN2 pKi= 6.3
469 5.7 2.31039054203LXK (62%) + MI1_A_2
QMean=0.470
P2: (4 Cplx.) RUN0 pKi= 6.5
470 5.7 2.41039049764FYO (36%) + 0VF_A_2
QMean=0.472
P2: (5 Cplx.) RUN2 pKi= 4
471 5.7 2.01039052124HVG (61%) + 19Q_A_2
QMean=0.522
P2: (4 Cplx.) RUN1 pKi= 6.8
472 5.7 1.31039055764GJ2 (53%) + 0XH_A_2
QMean=0.468
P2: (5 Cplx.) RUN1 pKi= 5.9
473 5.7 1.01039054504GJ3 (53%) + 0XP_A_2
QMean=0.479
P2: (3 Cplx.) RUN1 pKi= 5.9
474 5.6 1.21039046144GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (4 Cplx.) RUN2 pKi= 6.7
475 5.6 1.71039041984GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (6 Cplx.) RUN2 pKi= 4.7
476 5.6 2.31039055524GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (8 Cplx.) RUN2 pKi= 6.3
477 5.6 1.61039051224GIH (53%) + 0X5_A_2
QMean=0.467
P1: (5 Cplx.) RUN0 pKi= 4.5
478 5.6 2.41039056054GII (53%) + 0X6_A_2
QMean=0.485
P1: (8 Cplx.) RUN1 pKi= 6.1
479 5.6 1.91039041984E20 (53%) + 0MY_A_2
QMean=0.475
P1: (4 Cplx.) RUN0 pKi= 4.7
480 5.6 1.41039051224GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (5 Cplx.) RUN2 pKi= 4.5
481 5.6 2.01039052744GIH (53%) + 0X5_A_2
QMean=0.467
P1: (5 Cplx.) RUN2 pKi= 4.3
482 5.6 2.11039052264GJ3 (53%) + 0XP_A_2
QMean=0.479
P3: (3 Cplx.) RUN1 pKi= 6.1
483 5.6 2.11039047894GII (53%) + 0X6_A_2
QMean=0.485
P3: (3 Cplx.) RUN1 pKi= 6.4
484 5.6 1.81039041984GJ2 (53%) + 0XH_A_2
QMean=0.468
P2: (5 Cplx.) RUN1 pKi= 4.7
485 5.5 1.51039054204GIH (53%) + 0X5_A_2
QMean=0.467
P1: (5 Cplx.) RUN2 pKi= 6.5
486 5.5 2.21039045064BBE (99%) + 3O4_A_5
QMean=0.474
P1: (3 Cplx.) RUN1 pKi= 4.6
487 5.5 2.11039050894HVG (61%) + 19Q_A_2
QMean=0.522
P1: (4 Cplx.) RUN1 pKi= 6
488 5.5 2.11039053684GIH (53%) + 0X5_A_2
QMean=0.467
P1: (3 Cplx.) RUN0 pKi= 6
489 5.5 2.21039044412G2H (35%) + P16_A_3
QMean=0.457
P2: (3 Cplx.) RUN1 pKi= 5.6
490 5.5 2.11039049184ID7 (40%) + 1G0_A_2
QMean=0.458
P1: (5 Cplx.) RUN2 pKi= 9.1
491 5.5 1.31039051224GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (5 Cplx.) RUN1 pKi= 4.5
492 5.4 1.71039051124BBF (99%) + O19_A_5
QMean=0.530
P2: (4 Cplx.) RUN1 pKi= 6.7
493 5.4 2.31039048074BBF (99%) + O19_A_5
QMean=0.530
P2: (3 Cplx.) RUN2 pKi= 5.6
494 5.4 1.91039052952Z60 (35%) + P3Y_A_2
QMean=0.472
P2: (3 Cplx.) RUN1 pKi= 4.5
495 5.4 1.61039045682Z60 (35%) + P3Y_A_2
QMean=0.472
P2: (5 Cplx.) RUN2 pKi= 4
496 5.4 2.01039052004GII (53%) + 0X6_A_2
QMean=0.485
P1: (6 Cplx.) RUN2 pKi= 4.2
497 5.4 0.71039054494GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (4 Cplx.) RUN2 pKi= 6.1
498 5.3 1.41039050324E20 (53%) + 0MY_A_2
QMean=0.475
P1: (8 Cplx.) RUN1 pKi= 5.9
499 5.3 2.21039055084GII (53%) + 0X6_A_2
QMean=0.485
P1: (6 Cplx.) RUN0 pKi= 4
500 5.3 0.61039054193LXK (62%) + MI1_A_2
QMean=0.470
P1: (4 Cplx.) RUN1 pKi= 8.4
501 5.3 2.11039056394E1Z (53%) + 0MX_A_2
QMean=0.494
P1: (10 Cplx.) RUN2 pKi= 7.1
502 5.3 1.61039045084GJ2 (53%) + 0XH_A_2
QMean=0.468
P2: (3 Cplx.) RUN2 pKi= 6.5
503 5.2 2.21039050734BBF (99%) + O19_C_7
QMean=0.475
P3: (3 Cplx.) RUN0 pKi= 4.1
504 5.2 1.91039051074GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (4 Cplx.) RUN1 pKi= 6.1
505 5.2 1.81039054743LXL (62%) + IZA_A_2
QMean=0.516
P3: (3 Cplx.) RUN0 pKi= 4.2
506 5.1 1.71039052322Z60 (35%) + P3Y_A_2
QMean=0.472
P3: (3 Cplx.) RUN2 pKi= 4
507 5.1 2.41039055084GII (53%) + 0X6_A_2
QMean=0.485
P2: (3 Cplx.) RUN2 pKi= 4
508 5.1 1.61039050324E20 (53%) + 0MY_A_2
QMean=0.475
P1: (6 Cplx.) RUN2 pKi= 5.9
509 5.0 1.51039054744BBF (99%) + O19_A_5
QMean=0.530
P4: (3 Cplx.) RUN1 pKi= 4.2
510 4.9 1.91039050734BBE (99%) + 3O4_A_5
QMean=0.474
P1: (6 Cplx.) RUN1 pKi= 4.1
511 4.9 1.51039054564GJ2 (53%) + 0XH_A_2
QMean=0.468
P2: (4 Cplx.) RUN2 pKi= 4.1
512 4.9 2.41039052032G2H (35%) + P16_B_4
QMean=0.466
P2: (5 Cplx.) RUN0 pKi= 4.1
513 4.8 2.11039050734BBE (99%) + 3O4_A_5
QMean=0.474
P1: (5 Cplx.) RUN2 pKi= 4.1
514 4.7 2.21039053613LXL (62%) + IZA_A_2
QMean=0.516
P2: (4 Cplx.) RUN1 pKi= 5.6
515 4.7 0.91039045684E1Z (53%) + 0MX_A_2
QMean=0.494
P4: (3 Cplx.) RUN1 pKi= 4
516 4.7 2.31039056394E1Z (53%) + 0MX_A_2
QMean=0.494
P1: (10 Cplx.) RUN1 pKi= 7.1
517 4.7 1.81039054564GJ2 (53%) + 0XH_A_2
QMean=0.468
P1: (6 Cplx.) RUN1 pKi= 4.1
518 4.7 1.21039052004E20 (53%) + 0MY_A_2
QMean=0.475
P1: (6 Cplx.) RUN1 pKi= 4.2
519 4.5 1.81039056524E20 (53%) + 0MY_A_2
QMean=0.475
P4: (3 Cplx.) RUN2 pKi= 4.5
520 4.5 2.21039051172F4J (35%) + VX6_B_2
QMean=0.467
P3: (3 Cplx.) RUN1 pKi= 6.3
521 4.4 2.01039055284E20 (53%) + 0MY_A_2
QMean=0.475
P2: (6 Cplx.) RUN2 pKi= 5
522 4.4 2.01039056523KF4 (35%) + B90_B_4
QMean=0.433
P3: (3 Cplx.) RUN1 pKi= 4.5
523 4.4 2.41039053064BBE (99%) + 3O4_A_5
QMean=0.474
P2: (4 Cplx.) RUN2 pKi= 4.8
524 4.4 1.41039044424E1Z (53%) + 0MX_A_2
QMean=0.494
P1: (5 Cplx.) RUN1 pKi= 4.6
525 4.4 2.51039055114FYO (36%) + 0VF_A_2
QMean=0.472
P2: (4 Cplx.) RUN2 pKi= 4
526 4.3 2.21039055084GJ3 (53%) + 0XP_A_2
QMean=0.479
P1: (5 Cplx.) RUN1 pKi= 4
527 4.2 2.41039052971FPU (35%) + PRC_C_3
QMean=0.462
P2: (4 Cplx.) RUN1 pKi= 4.4
528 4.2 2.41039053064BBE (99%) + 3O4_A_5
QMean=0.474
P2: (4 Cplx.) RUN1 pKi= 4.8
529 4.1 2.31039052823NYX (52%) + TZ1_A_2
QMean=0.450
P1: (16 Cplx.) RUN0 pKi= 4.4
530 3.9 2.21039056084BBE (99%) + 3O4_A_5
QMean=0.474
P1: (4 Cplx.) RUN1 pKi= 6.7

Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.40



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