Screening Results : Docking based on all models from entry : DYR1B_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 5.3 1.71039054354ACD (31%) + GR9_B_4
QMean=0.320
P1: (3 Cplx.) RUN2 pKi= 6.7
2 4.4 1.91039054852JLD (31%) + AG1_B_5
QMean=0.328
P1: (7 Cplx.) RUN1 pKi= 4.2
3 7.4 2.21039055313I4B (31%) + Z48_B_4
QMean=0.345
P1: (6 Cplx.) RUN1 pKi= 8.3
4 8.0 2.51039056044ACC (31%) + 7YG_A_5
QMean=0.326
P1: (10 Cplx.) RUN2 pKi= 6.4
5 6.6 1.91039049853L1S (31%) + Z92_B_5
QMean=0.359
P1: (3 Cplx.) RUN2 pKi= 9.2
6 7.2 1.41039042623NR9 (32%) + NR9_C_6
QMean=0.428
P1: (7 Cplx.) RUN2 pKi= 7.4
7 7.8 1.91039043254ACC (31%) + 7YG_A_5
QMean=0.326
P1: (3 Cplx.) RUN2 pKi= 6.2
8 5.1 2.31039054391PYX (31%) + ANP_A_7
QMean=0.361
P1: (6 Cplx.) RUN0 pKi= 4.1
9 7.8 1.31039041933NR9 (32%) + NR9_C_6
QMean=0.428
P1: (7 Cplx.) RUN1 pKi= 8.6
10 7.8 1.31039041893NR9 (32%) + NR9_C_6
QMean=0.428
P1: (7 Cplx.) RUN1 pKi= 8.6
11 8.3 2.21039052773M1S (31%) + DW1_B_4
QMean=0.306
P1: (8 Cplx.) RUN0 pKi= 6.9
12 4.7 1.81039052362JLD (31%) + AG1_B_5
QMean=0.328
P1: (6 Cplx.) RUN2 pKi= 4.1
13 6.8 2.41039055583M1S (31%) + DW1_B_4
QMean=0.306
P1: (4 Cplx.) RUN2 pKi= 6.6
14 4.3 1.81039054852JLD (31%) + AG1_B_5
QMean=0.328
P1: (6 Cplx.) RUN2 pKi= 4.2
15 7.9 2.41039052134ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (3 Cplx.) RUN1 pKi= 5.7
16 5.4 2.21039056772O5K (31%) + HBM_A_2
QMean=0.291
P1: (5 Cplx.) RUN0 pKi= 4.2
17 8.6 2.51039046373L1S (31%) + Z92_B_5
QMean=0.359
P1: (6 Cplx.) RUN0 pKi= 5.9
18 8.4 2.21039042003M1S (31%) + DW1_B_4
QMean=0.306
P1: (8 Cplx.) RUN2 pKi= 7.8
19 7.7 1.61039041903NR9 (32%) + NR9_C_6
QMean=0.428
P1: (6 Cplx.) RUN1 pKi= 7.8
20 5.8 1.51039051671Z57 (32%) + DBQ_A_2
QMean=0.426
P1: (3 Cplx.) RUN1 pKi= 8
21 6.8 2.31039056583M1S (31%) + DW1_B_4
QMean=0.306
P1: (4 Cplx.) RUN1 pKi= 6.6
22 4.2 2.21039046793I4B (31%) + Z48_B_4
QMean=0.345
P1: (4 Cplx.) RUN2 pKi= 4.3
23 6.7 2.01039042081Z57 (32%) + DBQ_A_2
QMean=0.426
P1: (5 Cplx.) RUN2 pKi= 8.7
24 7.8 2.31039041973M1S (31%) + DW1_B_4
QMean=0.306
P1: (9 Cplx.) RUN1 pKi= 8.1
25 7.3 2.01039049853RAW (31%) + 3RA_B_4
QMean=0.411
P1: (3 Cplx.) RUN1 pKi= 9.2
26 6.6 1.71039053683L1S (31%) + Z92_B_5
QMean=0.359
P1: (3 Cplx.) RUN2 pKi= 6.8
27 9.2 2.01039045072JLD (31%) + AG1_B_5
QMean=0.328
P1: (3 Cplx.) RUN2 pKi= 8.3
28 7.3 1.71039048143I4B (31%) + Z48_B_4
QMean=0.345
P1: (5 Cplx.) RUN1 pKi= 5.6
29 7.0 2.51039056684ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (7 Cplx.) RUN1 pKi= 7.1
30 8.2 1.51039042533NR9 (32%) + NR9_C_6
QMean=0.428
P1: (5 Cplx.) RUN0 pKi= 7.3
31 6.7 2.21039055033M1S (31%) + DW1_B_4
QMean=0.306
P1: (10 Cplx.) RUN1 pKi= 6
32 6.8 2.41039051222JLD (31%) + AG1_B_5
QMean=0.328
P1: (10 Cplx.) RUN0 pKi= 4.9
33 8.3 2.41039056604ACD (31%) + GR9_B_4
QMean=0.320
P1: (3 Cplx.) RUN0 pKi= 7
34 6.9 2.01039056042O5K (31%) + HBM_A_2
QMean=0.291
P1: (5 Cplx.) RUN1 pKi= 6.4
35 5.2 1.81039056002JLD (31%) + AG1_B_5
QMean=0.328
P1: (5 Cplx.) RUN2 pKi= 6.2
36 6.3 1.91039052141PYX (31%) + ANP_A_7
QMean=0.361
P1: (3 Cplx.) RUN1 pKi= 5.6
37 7.8 1.61039041893M1S (31%) + DW1_B_4
QMean=0.306
P1: (7 Cplx.) RUN2 pKi= 8.6
38 8.4 2.31039052143I4B (31%) + Z48_B_4
QMean=0.345
P1: (3 Cplx.) RUN0 pKi= 5.6
39 6.9 1.81039055533I4B (31%) + Z48_B_4
QMean=0.345
P1: (4 Cplx.) RUN1 pKi= 5.7
40 3.5 1.91039052824ACD (31%) + GR9_B_4
QMean=0.320
P1: (3 Cplx.) RUN1 pKi= 5.5
41 7.2 2.01039049843RAW (31%) + 3RA_B_4
QMean=0.411
P1: (3 Cplx.) RUN1 pKi= 9.2
42 8.2 1.71039049411PYX (31%) + ANP_A_7
QMean=0.361
P1: (4 Cplx.) RUN1 pKi= 5.7
43 4.7 1.81039045771Z57 (32%) + DBQ_A_2
QMean=0.426
P1: (7 Cplx.) RUN1 pKi= 4.5
44 7.3 2.11039045754ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (8 Cplx.) RUN0 pKi= 6.5
45 6.9 2.01039055731Z57 (32%) + DBQ_A_2
QMean=0.426
P1: (4 Cplx.) RUN1 pKi= 6.9
46 6.8 2.01039044023I4B (31%) + Z48_B_4
QMean=0.345
P1: (4 Cplx.) RUN2 pKi= 6.1
47 6.0 2.51039056583L1S (31%) + Z92_B_5
QMean=0.359
P1: (3 Cplx.) RUN2 pKi= 6.6
48 9.0 2.41039052133L1S (31%) + Z92_B_5
QMean=0.359
P1: (12 Cplx.) RUN0 pKi= 5.7
49 7.7 1.31039042163NR9 (32%) + NR9_C_6
QMean=0.428
P1: (7 Cplx.) RUN1 pKi= 6.5
50 4.1 2.01039055284ACD (31%) + GR9_B_4
QMean=0.320
P1: (5 Cplx.) RUN1 pKi= 4.9
51 4.5 2.21039053064ACD (31%) + GR9_B_4
QMean=0.320
P1: (5 Cplx.) RUN2 pKi= 5.5
52 8.1 1.51039041993NR9 (32%) + NR9_C_6
QMean=0.428
P1: (6 Cplx.) RUN0 pKi= 7.6
53 8.2 2.21039053622JLD (31%) + AG1_B_5
QMean=0.328
P1: (11 Cplx.) RUN0 pKi= 6.5
54 7.2 2.31039045994ACD (31%) + GR9_B_4
QMean=0.320
P1: (3 Cplx.) RUN2 pKi= 6.8
55 3.8 1.91039054994ACC (31%) + 7YG_A_5
QMean=0.326
P1: (4 Cplx.) RUN1 pKi= 5
56 6.2 2.21039056143M1S (31%) + DW1_B_4
QMean=0.306
P1: (5 Cplx.) RUN2 pKi= 6.8
57 5.6 2.31039055214ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (4 Cplx.) RUN2 pKi= 6.2
58 6.4 1.71039042083NR9 (32%) + NR9_C_6
QMean=0.428
P1: (7 Cplx.) RUN1 pKi= 8.7
59 7.5 2.21039046454ACC (31%) + 7YG_A_5
QMean=0.326
P1: (3 Cplx.) RUN1 pKi= 6.2
60 8.0 2.21039044623L1S (31%) + Z92_B_5
QMean=0.359
P1: (3 Cplx.) RUN1 pKi= 9
61 9.9 2.51039056792JLD (31%) + AG1_B_5
QMean=0.328
P1: (5 Cplx.) RUN1 pKi= 6.5
62 3.8 2.11039044424ACD (31%) + GR9_B_4
QMean=0.320
P1: (3 Cplx.) RUN2 pKi= 5.5
63 8.3 2.01039051594ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (4 Cplx.) RUN2 pKi= 6.6
64 6.6 2.11039048064ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (5 Cplx.) RUN2 pKi= 6.1
65 9.2 2.31039056152JLD (31%) + AG1_B_5
QMean=0.328
P1: (9 Cplx.) RUN1 pKi= 5.6
66 6.8 1.71039046823L1S (31%) + Z92_B_5
QMean=0.359
P1: (5 Cplx.) RUN1 pKi= 7.4
67 7.2 2.41039048212JLD (31%) + AG1_B_5
QMean=0.328
P1: (6 Cplx.) RUN0 pKi= 5.7
68 8.3 2.51039044024ACC (31%) + 7YG_A_5
QMean=0.326
P1: (4 Cplx.) RUN1 pKi= 6.1
69 7.1 2.01039052731Z57 (32%) + DBQ_A_2
QMean=0.426
P1: (5 Cplx.) RUN1 pKi= 6.1
70 4.0 2.01039055004ACD (31%) + GR9_B_4
QMean=0.320
P1: (5 Cplx.) RUN2 pKi= 4.8
71 4.5 1.61039051674ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (3 Cplx.) RUN2 pKi= 8
72 6.0 2.41039047042JLD (31%) + AG1_B_5
QMean=0.328
P1: (11 Cplx.) RUN2 pKi= 6.1
73 6.8 1.61039056023L1S (31%) + Z92_B_5
QMean=0.359
P1: (4 Cplx.) RUN1 pKi= 6.1
74 8.8 2.11039045074ACD (31%) + GR9_B_4
QMean=0.320
P1: (3 Cplx.) RUN0 pKi= 8.3
75 3.4 2.21039054122JLD (31%) + AG1_B_5
QMean=0.328
P1: (4 Cplx.) RUN1 pKi= 4.4
76 6.6 2.41039048694BGQ (35%) + 38R_A_3
QMean=0.401
P1: (4 Cplx.) RUN2 pKi= 5.8
77 7.5 1.91039042042JLD (31%) + AG1_B_5
QMean=0.328
P1: (4 Cplx.) RUN1 pKi= 6.3
78 8.6 1.21039045053NR9 (32%) + NR9_C_6
QMean=0.428
P1: (3 Cplx.) RUN2 pKi= 7.8
79 7.7 1.31039042043NR9 (32%) + NR9_C_6
QMean=0.428
P1: (7 Cplx.) RUN2 pKi= 6.3
80 7.4 2.01039048013L1S (31%) + Z92_B_5
QMean=0.359
P1: (3 Cplx.) RUN2 pKi= 6.1
81 10.0 2.01039056792JLD (31%) + AG1_B_5
QMean=0.328
P1: (7 Cplx.) RUN0 pKi= 6.5
82 4.7 1.91039045771Z57 (32%) + DBQ_A_2
QMean=0.426
P1: (6 Cplx.) RUN2 pKi= 4.5
83 7.7 2.21039045912JLD (31%) + AG1_B_5
QMean=0.328
P1: (6 Cplx.) RUN2 pKi= 6.5
84 7.4 1.71039045753L1S (31%) + Z92_B_5
QMean=0.359
P1: (6 Cplx.) RUN2 pKi= 6.5
85 5.0 2.31039054391PYX (31%) + ANP_A_7
QMean=0.361
P1: (7 Cplx.) RUN2 pKi= 4.1
86 7.3 2.41039048621PYX (31%) + ANP_A_7
QMean=0.361
P1: (8 Cplx.) RUN2 pKi= 5.9
87 5.6 2.51039047071Z57 (32%) + DBQ_A_2
QMean=0.426
P1: (8 Cplx.) RUN0 pKi= 4.2
88 4.9 1.91039056774ACD (31%) + GR9_B_4
QMean=0.320
P1: (5 Cplx.) RUN1 pKi= 4.2
89 5.9 2.01039050894ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (5 Cplx.) RUN1 pKi= 6.6
90 6.6 1.81039054064ACD (31%) + GR9_B_4
QMean=0.320
P1: (4 Cplx.) RUN2 pKi= 6.1
91 7.0 2.41039051114ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (8 Cplx.) RUN1 pKi= 6.4
92 5.8 2.11039048203L1S (31%) + Z92_B_5
QMean=0.359
P1: (6 Cplx.) RUN0 pKi= 6.4
93 6.2 2.31039056023NR9 (32%) + NR9_C_6
QMean=0.428
P1: (4 Cplx.) RUN2 pKi= 6.1
94 4.3 2.21039050403I4B (31%) + Z48_B_4
QMean=0.345
P1: (5 Cplx.) RUN1 pKi= 5.9
95 7.0 1.81039052761Z57 (32%) + DBQ_A_2
QMean=0.426
P1: (4 Cplx.) RUN1 pKi= 5.8
96 8.0 1.91039041902JLD (31%) + AG1_B_5
QMean=0.328
P1: (7 Cplx.) RUN2 pKi= 7.8
97 7.8 2.21039048623M1S (31%) + DW1_B_4
QMean=0.306
P1: (11 Cplx.) RUN1 pKi= 5.9
98 7.5 2.21039056022JLD (31%) + AG1_B_5
QMean=0.328
P1: (11 Cplx.) RUN0 pKi= 6.1
99 7.7 2.21039051594FG7 (31%) + ATP_A_2
QMean=0.453
P1: (3 Cplx.) RUN1 pKi= 6.6
100 3.5 2.31039052972JLD (31%) + AG1_B_5
QMean=0.328
P1: (5 Cplx.) RUN2 pKi= 5.4
101 4.4 2.51039055191Z57 (32%) + DBQ_A_2
QMean=0.426
P1: (6 Cplx.) RUN1 pKi= 4.6
102 4.3 2.11039042642JLD (31%) + AG1_B_5
QMean=0.328
P1: (4 Cplx.) RUN1 pKi= 4.2
103 7.3 2.41039056552JLD (31%) + AG1_B_5
QMean=0.328
P1: (12 Cplx.) RUN0 pKi= 5.6
104 8.5 2.01039051594ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (6 Cplx.) RUN0 pKi= 6.6
105 6.7 2.41039046013I4B (31%) + Z48_B_4
QMean=0.345
P1: (3 Cplx.) RUN2 pKi= 6.1
106 8.9 2.51039044862JLD (31%) + AG1_B_5
QMean=0.328
P1: (6 Cplx.) RUN0 pKi= 8.7
107 7.3 2.41039048794ACC (31%) + 7YG_A_5
QMean=0.326
P1: (7 Cplx.) RUN2 pKi= 6.1
108 7.6 2.51039056074ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (10 Cplx.) RUN0 pKi= 7.5
109 6.1 1.71039047353NR9 (32%) + NR9_C_6
QMean=0.428
P1: (4 Cplx.) RUN1 pKi= 7.9
110 8.1 2.01039042714ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (3 Cplx.) RUN1 pKi= 6.2
111 7.4 2.31039045543M1S (31%) + DW1_B_4
QMean=0.306
P1: (4 Cplx.) RUN0 pKi= 5.8
112 9.0 2.01039049602JLD (31%) + AG1_B_5
QMean=0.328
P1: (7 Cplx.) RUN0 pKi= 6.2
113 9.6 2.21039050274ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (4 Cplx.) RUN2 pKi= 5.6
114 6.7 2.31039056603I4B (31%) + Z48_B_4
QMean=0.345
P1: (3 Cplx.) RUN1 pKi= 7
115 6.2 2.01039051342JLD (31%) + AG1_B_5
QMean=0.328
P1: (8 Cplx.) RUN2 pKi= 4.2
116 7.2 2.31039048072JLD (31%) + AG1_B_5
QMean=0.328
P1: (5 Cplx.) RUN1 pKi= 5.6
117 8.1 1.91039041972JLD (31%) + AG1_B_5
QMean=0.328
P1: (5 Cplx.) RUN2 pKi= 8.1
118 5.2 2.51039049363M1S (31%) + DW1_B_4
QMean=0.306
P1: (3 Cplx.) RUN1 pKi= 5.8
119 7.8 2.11039043253L1S (31%) + Z92_B_5
QMean=0.359
P1: (6 Cplx.) RUN1 pKi= 6.2
120 4.2 2.51039050403I4B (31%) + Z48_B_4
QMean=0.345
P1: (4 Cplx.) RUN2 pKi= 5.9
121 5.9 1.81039048203L1S (31%) + Z92_B_5
QMean=0.359
P1: (4 Cplx.) RUN1 pKi= 6.4
122 7.7 2.11039044044FG7 (31%) + ATP_A_2
QMean=0.453
P1: (4 Cplx.) RUN2 pKi= 7
123 7.6 2.01039045904ACC (31%) + 7YG_A_5
QMean=0.326
P1: (4 Cplx.) RUN1 pKi= 6.4
124 8.0 1.81039041933M1S (31%) + DW1_B_4
QMean=0.306
P1: (7 Cplx.) RUN0 pKi= 8.6
125 5.3 1.81039051152JLD (31%) + AG1_B_5
QMean=0.328
P1: (6 Cplx.) RUN1 pKi= 5.7
126 4.1 1.61039053063PUP (31%) + OS1_B_4
QMean=0.339
P1: (4 Cplx.) RUN1 pKi= 5.5
127 7.7 1.61039042003NR9 (32%) + NR9_C_6
QMean=0.428
P1: (8 Cplx.) RUN1 pKi= 7.8
128 6.9 1.71039048213L1S (31%) + Z92_B_5
QMean=0.359
P1: (6 Cplx.) RUN2 pKi= 5.7
129 6.6 1.91039048253M1S (31%) + DW1_B_4
QMean=0.306
P1: (3 Cplx.) RUN1 pKi= 6.1
130 7.6 2.31039048182JLD (31%) + AG1_B_5
QMean=0.328
P1: (3 Cplx.) RUN2 pKi= 7.6
131 7.7 1.21039042633NR9 (32%) + NR9_C_6
QMean=0.428
P1: (8 Cplx.) RUN2 pKi= 6.5
132 9.9 2.11039056792JLD (31%) + AG1_B_5
QMean=0.328
P1: (6 Cplx.) RUN2 pKi= 6.5
133 7.4 2.51039051114ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (11 Cplx.) RUN0 pKi= 6.4
134 7.6 2.01039053622JLD (31%) + AG1_B_5
QMean=0.328
P1: (9 Cplx.) RUN1 pKi= 6.5
135 7.7 2.31039045073L1S (31%) + Z92_B_5
QMean=0.359
P1: (4 Cplx.) RUN1 pKi= 8.3
136 7.1 2.21039048214ACC (31%) + 7YG_A_5
QMean=0.326
P1: (6 Cplx.) RUN1 pKi= 5.7
137 6.6 2.01039048064ACC (31%) + 7YG_A_5
QMean=0.326
P1: (6 Cplx.) RUN1 pKi= 6.1
138 7.3 2.51039055574ACC (31%) + 7YG_A_5
QMean=0.326
P1: (6 Cplx.) RUN2 pKi= 6
139 8.8 1.91039044852JLD (31%) + AG1_B_5
QMean=0.328
P1: (5 Cplx.) RUN1 pKi= 6.8
140 9.2 2.21039046372JLD (31%) + AG1_B_5
QMean=0.328
P1: (6 Cplx.) RUN1 pKi= 5.9
141 5.3 1.61039055084ACG (31%) + 6LQ_B_4
QMean=0.301
P1: (6 Cplx.) RUN1 pKi= 5.7
142 7.9 1.31039042163NR9 (32%) + NR9_C_6
QMean=0.428
P1: (3 Cplx.) RUN2 pKi= 6.5
143 8.5 2.11039048261PYX (31%) + ANP_A_7
QMean=0.361
P1: (3 Cplx.) RUN2 pKi= 6.2
144 6.8 1.91039048141Z57 (32%) + DBQ_A_2
QMean=0.426
P1: (4 Cplx.) RUN0 pKi= 5.6
145 5.3 2.01039051342JLD (31%) + AG1_B_5
QMean=0.328
P1: (9 Cplx.) RUN1 pKi= 4.2
146 4.2 2.21039046793I4B (31%) + Z48_B_4
QMean=0.345
P1: (5 Cplx.) RUN1 pKi= 4.3
147 7.7 2.21039056602JLD (31%) + AG1_B_5
QMean=0.328
P1: (3 Cplx.) RUN2 pKi= 7
148 5.9 2.11039044414ACC (31%) + 7YG_A_5
QMean=0.326
P1: (6 Cplx.) RUN2 pKi= 7.7
149 7.8 1.41039044863L1S (31%) + Z92_B_5
QMean=0.359
P1: (4 Cplx.) RUN1 pKi= 8.7
150 8.8 1.91039045994ACC (31%) + 7YG_A_5
QMean=0.326
P1: (5 Cplx.) RUN1 pKi= 6.8
151 7.5 2.01039055314ACD (31%) + GR9_B_4
QMean=0.320
P1: (8 Cplx.) RUN2 pKi= 8.3
152 6.3 2.21039055582O5K (31%) + HBM_A_2
QMean=0.291
P1: (3 Cplx.) RUN0 pKi= 6.6
153 5.3 2.51039053294ACD (31%) + GR9_B_4
QMean=0.320
P1: (7 Cplx.) RUN2 pKi= 4.1
154 3.2 1.81039046561Z57 (32%) + DBQ_A_2
QMean=0.426
P1: (4 Cplx.) RUN2 pKi= 4.4
155 4.8 2.01039044422JLD (31%) + AG1_B_5
QMean=0.328
P1: (5 Cplx.) RUN1 pKi= 5.5
156 6.2 1.91039052951Z57 (32%) + DBQ_A_2
QMean=0.426
P1: (4 Cplx.) RUN2 pKi= 5.7
157 5.1 2.41039054394ACC (31%) + 7YG_A_5
QMean=0.326
P2: (3 Cplx.) RUN1 pKi= 4.1
158 5.5 1.81039054163NR9 (32%) + NR9_C_6
QMean=0.428
P2: (5 Cplx.) RUN1 pKi= 4.5
159 4.3 2.01039054474ACC (31%) + 7YG_A_5
QMean=0.326
P2: (3 Cplx.) RUN1 pKi= 4.3
160 7.9 1.41039048182JLD (31%) + AG1_B_5
QMean=0.328
P2: (3 Cplx.) RUN1 pKi= 7.6
161 7.3 1.81039055733RAW (31%) + 3RA_B_4
QMean=0.411
P2: (3 Cplx.) RUN0 pKi= 6.9
162 8.6 1.81039056152JLD (31%) + AG1_B_5
QMean=0.328
P2: (3 Cplx.) RUN2 pKi= 5.6
163 6.1 2.31039045843L1S (31%) + Z92_B_5
QMean=0.359
P2: (4 Cplx.) RUN1 pKi= 4.7
164 4.7 2.11039047094ACC (31%) + 7YG_A_5
QMean=0.326
P2: (3 Cplx.) RUN2 pKi= 4.2
165 7.5 1.71039056612JLD (31%) + AG1_B_5
QMean=0.328
P2: (3 Cplx.) RUN2 pKi= 7
166 6.6 1.41039052751Z57 (32%) + DBQ_A_2
QMean=0.426
P2: (3 Cplx.) RUN2 pKi= 6.1
167 6.1 2.31039049434ACC (31%) + 7YG_A_5
QMean=0.326
P2: (4 Cplx.) RUN1 pKi= 4.8
168 5.5 1.91039049904ACC (31%) + 7YG_A_5
QMean=0.326
P2: (4 Cplx.) RUN1 pKi= 7
169 6.0 2.11039048794ACG (31%) + 6LQ_B_4
QMean=0.301
P2: (3 Cplx.) RUN1 pKi= 6.1
170 9.2 2.21039049602O5K (31%) + HBM_A_2
QMean=0.291
P2: (5 Cplx.) RUN1 pKi= 6.2
171 6.7 2.41039042074BGQ (35%) + 38R_A_3
QMean=0.401
P2: (4 Cplx.) RUN0 pKi= 6.4
172 6.5 1.51039045754BGQ (35%) + 38R_A_3
QMean=0.401
P2: (3 Cplx.) RUN1 pKi= 6.5
173 7.1 1.61039046444BGQ (35%) + 38R_A_3
QMean=0.401
P2: (3 Cplx.) RUN1 pKi= 5.6
174 4.4 1.91039046763RAW (31%) + 3RA_B_4
QMean=0.411
P2: (4 Cplx.) RUN2 pKi= 4.7
175 4.5 1.31039054472JLD (31%) + AG1_B_5
QMean=0.328
P2: (3 Cplx.) RUN2 pKi= 4.3
176 6.3 2.41039052261Z57 (32%) + DBQ_A_2
QMean=0.426
P2: (3 Cplx.) RUN1 pKi= 6.1
177 7.5 2.11039055534ACC (31%) + 7YG_A_5
QMean=0.326
P2: (3 Cplx.) RUN2 pKi= 5.7
178 5.6 1.81039054014FG7 (31%) + ATP_A_2
QMean=0.453
P2: (3 Cplx.) RUN2 pKi= 4.4
179 6.6 2.01039050044ACG (31%) + 6LQ_B_4
QMean=0.301
P2: (3 Cplx.) RUN2 pKi= 5.8
180 4.1 2.11039055284ACD (31%) + GR9_B_4
QMean=0.320
P2: (4 Cplx.) RUN2 pKi= 4.9
181 4.1 2.21039052033I4B (31%) + Z48_B_4
QMean=0.345
P2: (3 Cplx.) RUN2 pKi= 4.7
182 5.6 1.61039055011Z57 (32%) + DBQ_A_2
QMean=0.426
P2: (3 Cplx.) RUN0 pKi= 4.2
183 7.9 2.41039050272JLD (31%) + AG1_B_5
QMean=0.328
P2: (3 Cplx.) RUN1 pKi= 5.6
184 4.3 1.71039054623M1S (31%) + DW1_B_4
QMean=0.306
P2: (4 Cplx.) RUN1 pKi= 4.8
185 5.8 1.61039048202JLD (31%) + AG1_B_5
QMean=0.328
P2: (5 Cplx.) RUN2 pKi= 6.4
186 7.7 2.21039041934ACC (31%) + 7YG_A_5
QMean=0.326
P2: (3 Cplx.) RUN2 pKi= 8.6
187 8.4 2.01039044854ACC (31%) + 7YG_A_5
QMean=0.326
P2: (4 Cplx.) RUN0 pKi= 6.8
188 6.2 1.71039051383NR9 (32%) + NR9_C_6
QMean=0.428
P2: (4 Cplx.) RUN0 pKi= 5.9
189 5.3 2.11039054524ACD (31%) + GR9_B_4
QMean=0.320
P2: (3 Cplx.) RUN2 pKi= 4.7
190 5.2 2.01039045854ACG (31%) + 6LQ_B_4
QMean=0.301
P2: (3 Cplx.) RUN2 pKi= 4
191 5.4 2.41039049353I4B (31%) + Z48_B_4
QMean=0.345
P2: (3 Cplx.) RUN2 pKi= 5.9
192 6.8 1.31039050891Z57 (32%) + DBQ_A_2
QMean=0.426
P2: (3 Cplx.) RUN2 pKi= 6.6
193 6.1 2.41039049862O5K (31%) + HBM_A_2
QMean=0.291
P2: (5 Cplx.) RUN2 pKi= 6.4
194 6.0 1.51039056133NR9 (32%) + NR9_C_6
QMean=0.428
P2: (3 Cplx.) RUN0 pKi= 7.3
195 6.9 2.21039048702JLD (31%) + AG1_B_5
QMean=0.328
P2: (4 Cplx.) RUN2 pKi= 5.6
196 4.5 1.61039053534ACG (31%) + 6LQ_B_4
QMean=0.301
P2: (3 Cplx.) RUN1 pKi= 4
197 5.8 2.41039053294ACC (31%) + 7YG_A_5
QMean=0.326
P2: (4 Cplx.) RUN1 pKi= 4.1
198 5.9 2.41039045064ACD (31%) + GR9_B_4
QMean=0.320
P2: (5 Cplx.) RUN2 pKi= 7
199 7.3 1.81039048142JLD (31%) + AG1_B_5
QMean=0.328
P2: (3 Cplx.) RUN2 pKi= 5.6
200 6.9 1.61039041913NR9 (32%) + NR9_C_6
QMean=0.428
P2: (5 Cplx.) RUN1 pKi= 8.4
201 4.4 2.01039056772JLD (31%) + AG1_B_5
QMean=0.328
P2: (3 Cplx.) RUN2 pKi= 4.2
202 6.4 2.31039047354ACD (31%) + GR9_B_4
QMean=0.320
P2: (5 Cplx.) RUN2 pKi= 7.9
203 5.4 2.11039054524ACD (31%) + GR9_B_4
QMean=0.320
P2: (5 Cplx.) RUN1 pKi= 4.7
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QMean=0.328
P2: (3 Cplx.) RUN0 pKi= 6.4
205 4.4 1.81039052443NR9 (32%) + NR9_C_6
QMean=0.428
P2: (4 Cplx.) RUN1 pKi= 4.4
206 4.7 2.21039056544ACG (31%) + 6LQ_B_4
QMean=0.301
P2: (3 Cplx.) RUN2 pKi= 4.1
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QMean=0.359
P2: (3 Cplx.) RUN2 pKi= 5.9
208 6.3 2.01039052743I4B (31%) + Z48_B_4
QMean=0.345
P2: (4 Cplx.) RUN1 pKi= 4.7
209 6.1 1.71039053173NR9 (32%) + NR9_C_6
QMean=0.428
P2: (3 Cplx.) RUN1 pKi= 6
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QMean=0.328
P2: (4 Cplx.) RUN2 pKi= 4.8
211 5.2 2.41039054014ACG (31%) + 6LQ_B_4
QMean=0.301
P2: (3 Cplx.) RUN1 pKi= 4.4
212 5.8 2.11039054563M1S (31%) + DW1_B_4
QMean=0.306
P2: (6 Cplx.) RUN1 pKi= 4.3
213 7.1 1.41039042633NR9 (32%) + NR9_C_6
QMean=0.428
P2: (4 Cplx.) RUN1 pKi= 6.5
214 6.2 1.91039044053M1S (31%) + DW1_B_4
QMean=0.306
P2: (4 Cplx.) RUN1 pKi= 7.8
215 4.5 2.21039054684ACD (31%) + GR9_B_4
QMean=0.320
P2: (3 Cplx.) RUN2 pKi= 4.1
216 7.4 2.51039055583M1S (31%) + DW1_B_4
QMean=0.306
P2: (3 Cplx.) RUN1 pKi= 6.6
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QMean=0.401
P2: (4 Cplx.) RUN1 pKi= 5.6
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QMean=0.301
P2: (4 Cplx.) RUN2 pKi= 5.7
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QMean=0.411
P2: (3 Cplx.) RUN0 pKi= 4.5
220 6.4 1.31039053623RAW (31%) + 3RA_B_4
QMean=0.411
P2: (3 Cplx.) RUN2 pKi= 6.5
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QMean=0.426
P2: (3 Cplx.) RUN2 pKi= 6
222 6.4 1.81039053684ACD (31%) + GR9_B_4
QMean=0.320
P2: (3 Cplx.) RUN1 pKi= 6.8
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QMean=0.411
P2: (4 Cplx.) RUN2 pKi= 7.2
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QMean=0.426
P2: (4 Cplx.) RUN0 pKi= 6.8
225 7.8 1.41039042633NR9 (32%) + NR9_C_6
QMean=0.428
P2: (4 Cplx.) RUN0 pKi= 6.5
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QMean=0.328
P2: (5 Cplx.) RUN1 pKi= 5.8
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QMean=0.320
P2: (3 Cplx.) RUN2 pKi= 7.3
228 5.7 1.71039051223NR9 (32%) + NR9_C_6
QMean=0.428
P2: (4 Cplx.) RUN2 pKi= 4.9
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QMean=0.428
P2: (4 Cplx.) RUN2 pKi= 6.9
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QMean=0.426
P2: (3 Cplx.) RUN0 pKi= 4.3
231 4.1 1.61039052362JLD (31%) + AG1_B_5
QMean=0.328
P2: (4 Cplx.) RUN1 pKi= 4.1
232 5.2 1.71039053273RAW (31%) + 3RA_B_4
QMean=0.411
P2: (3 Cplx.) RUN2 pKi= 4.3
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QMean=0.359
P2: (3 Cplx.) RUN2 pKi= 6
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QMean=0.426
P2: (4 Cplx.) RUN2 pKi= 6.9
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QMean=0.328
P2: (3 Cplx.) RUN1 pKi= 6.8
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QMean=0.328
P2: (4 Cplx.) RUN2 pKi= 4.6
237 5.7 1.91039046391PYX (31%) + ANP_A_7
QMean=0.361
P2: (3 Cplx.) RUN2 pKi= 5.9
238 6.5 2.11039052751Z57 (32%) + DBQ_A_2
QMean=0.426
P2: (3 Cplx.) RUN0 pKi= 6.1
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QMean=0.328
P2: (3 Cplx.) RUN2 pKi= 6.4
240 6.3 1.91039049773M1S (31%) + DW1_B_4
QMean=0.306
P2: (3 Cplx.) RUN1 pKi= 6.1
241 8.3 1.51039042533NR9 (32%) + NR9_C_6
QMean=0.428
P2: (3 Cplx.) RUN2 pKi= 7.3
242 5.0 2.31039055794ACD (31%) + GR9_B_4
QMean=0.320
P2: (3 Cplx.) RUN2 pKi= 5.5
243 6.9 2.01039049843NR9 (32%) + NR9_C_6
QMean=0.428
P2: (5 Cplx.) RUN2 pKi= 9.2
244 5.3 1.81039050311Z57 (32%) + DBQ_A_2
QMean=0.426
P2: (4 Cplx.) RUN2 pKi= 4.3
245 6.9 2.31039052261Z57 (32%) + DBQ_A_2
QMean=0.426
P2: (3 Cplx.) RUN2 pKi= 6.1
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QMean=0.428
P2: (3 Cplx.) RUN0 pKi= 7.8
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QMean=0.426
P2: (5 Cplx.) RUN0 pKi= 5.9
248 5.4 2.31039055894ACD (31%) + GR9_B_4
QMean=0.320
P2: (3 Cplx.) RUN2 pKi= 4.1
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QMean=0.426
P2: (3 Cplx.) RUN2 pKi= 5.6
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QMean=0.320
P2: (6 Cplx.) RUN0 pKi= 8.3
251 7.1 1.91039052773NR9 (32%) + NR9_C_6
QMean=0.428
P2: (3 Cplx.) RUN1 pKi= 6.9
252 4.7 2.51039055894ACD (31%) + GR9_B_4
QMean=0.320
P2: (3 Cplx.) RUN1 pKi= 4.1
253 7.0 2.21039041994ACD (31%) + GR9_B_4
QMean=0.320
P2: (3 Cplx.) RUN1 pKi= 7.6
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QMean=0.426
P2: (3 Cplx.) RUN1 pKi= 6.1
255 4.9 2.41039056003NR9 (32%) + NR9_C_6
QMean=0.428
P2: (5 Cplx.) RUN0 pKi= 6.2
256 6.8 2.01039053684ACC (31%) + 7YG_A_5
QMean=0.326
P2: (3 Cplx.) RUN0 pKi= 6.8
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QMean=0.428
P2: (4 Cplx.) RUN0 pKi= 6.5
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QMean=0.401
P2: (3 Cplx.) RUN1 pKi= 7
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QMean=0.306
P2: (6 Cplx.) RUN0 pKi= 8.6
260 8.2 2.11039049414ACG (31%) + 6LQ_B_4
QMean=0.301
P2: (3 Cplx.) RUN0 pKi= 5.7
261 6.0 1.61039051671Z57 (32%) + DBQ_A_2
QMean=0.426
P2: (4 Cplx.) RUN0 pKi= 8
262 5.6 1.61039055011Z57 (32%) + DBQ_A_2
QMean=0.426
P2: (3 Cplx.) RUN1 pKi= 4.2
263 5.9 2.51039045064ACD (31%) + GR9_B_4
QMean=0.320
P2: (3 Cplx.) RUN0 pKi= 7
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QMean=0.426
P2: (4 Cplx.) RUN1 pKi= 7.5
265 6.0 1.81039042074ACD (31%) + GR9_B_4
QMean=0.320
P2: (4 Cplx.) RUN2 pKi= 6.4
266 8.2 1.91039049414ACG (31%) + 6LQ_B_4
QMean=0.301
P2: (3 Cplx.) RUN2 pKi= 5.7
267 4.6 1.31039051234ACG (31%) + 6LQ_B_4
QMean=0.301
P2: (3 Cplx.) RUN2 pKi= 4.8
268 6.1 1.81039041913PUP (31%) + OS1_B_4
QMean=0.339
P2: (3 Cplx.) RUN2 pKi= 8.4
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QMean=0.306
P2: (6 Cplx.) RUN0 pKi= 8.1
270 6.1 1.71039052303NR9 (32%) + NR9_C_6
QMean=0.428
P2: (3 Cplx.) RUN2 pKi= 4.5
271 5.4 2.11039050083PUP (31%) + OS1_B_4
QMean=0.339
P2: (3 Cplx.) RUN1 pKi= 5
272 8.3 2.01039042003M1S (31%) + DW1_B_4
QMean=0.306
P2: (7 Cplx.) RUN0 pKi= 7.8
273 7.7 2.41039051834ACD (31%) + GR9_B_4
QMean=0.320
P2: (3 Cplx.) RUN0 pKi= 6
274 7.2 2.31039052144ACG (31%) + 6LQ_B_4
QMean=0.301
P2: (3 Cplx.) RUN2 pKi= 5.6
275 7.2 1.31039050831Z57 (32%) + DBQ_A_2
QMean=0.426
P2: (3 Cplx.) RUN1 pKi= 6
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QMean=0.426
P2: (5 Cplx.) RUN2 pKi= 4.7
277 8.2 1.21039041993NR9 (32%) + NR9_C_6
QMean=0.428
P2: (4 Cplx.) RUN2 pKi= 7.6
278 7.9 1.91039053173M1S (31%) + DW1_B_4
QMean=0.306
P2: (4 Cplx.) RUN0 pKi= 6
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QMean=0.426
P2: (3 Cplx.) RUN2 pKi= 5.9
280 5.0 1.31039047093RAW (31%) + 3RA_B_4
QMean=0.411
P2: (4 Cplx.) RUN1 pKi= 4.2
281 6.5 1.21039045543I4B (31%) + Z48_B_4
QMean=0.345
P2: (4 Cplx.) RUN2 pKi= 5.8
282 6.0 1.71039041981Z57 (32%) + DBQ_A_2
QMean=0.426
P2: (3 Cplx.) RUN0 pKi= 5.4
283 6.4 1.71039052951Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN1 pKi= 5.7
284 4.5 1.91039053944ACG (31%) + 6LQ_B_4
QMean=0.301
P3: (3 Cplx.) RUN1 pKi= 4.9
285 6.3 1.51039052303NR9 (32%) + NR9_C_6
QMean=0.428
P3: (3 Cplx.) RUN1 pKi= 4.5
286 7.9 1.81039046441Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN2 pKi= 5.6
287 5.7 1.61039051153RAW (31%) + 3RA_B_4
QMean=0.411
P3: (3 Cplx.) RUN2 pKi= 5.7
288 5.2 1.61039052073NR9 (32%) + NR9_C_6
QMean=0.428
P3: (3 Cplx.) RUN2 pKi= 7.8
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QMean=0.428
P3: (4 Cplx.) RUN0 pKi= 7.5
290 6.2 1.81039052291Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN1 pKi= 4.1
291 6.0 1.31039056693PUP (31%) + OS1_B_4
QMean=0.339
P3: (3 Cplx.) RUN2 pKi= 7.5
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QMean=0.411
P3: (3 Cplx.) RUN1 pKi= 4.6
293 7.9 1.51039042043NR9 (32%) + NR9_C_6
QMean=0.428
P3: (3 Cplx.) RUN0 pKi= 6.3
294 5.7 2.31039049353NR9 (32%) + NR9_C_6
QMean=0.428
P3: (3 Cplx.) RUN0 pKi= 5.9
295 5.1 1.91039055272JLD (31%) + AG1_B_5
QMean=0.328
P3: (3 Cplx.) RUN1 pKi= 4.5
296 3.5 2.01039052972JLD (31%) + AG1_B_5
QMean=0.328
P3: (3 Cplx.) RUN1 pKi= 5.4
297 4.9 2.21039056003I4B (31%) + Z48_B_4
QMean=0.345
P3: (3 Cplx.) RUN1 pKi= 6.2
298 3.4 2.01039052824ACD (31%) + GR9_B_4
QMean=0.320
P3: (3 Cplx.) RUN2 pKi= 5.5
299 6.0 1.91039050293L1S (31%) + Z92_B_5
QMean=0.359
P3: (3 Cplx.) RUN2 pKi= 5.2
300 8.0 2.11039046364ACC (31%) + 7YG_A_5
QMean=0.326
P3: (3 Cplx.) RUN1 pKi= 6.3
301 6.2 1.21039041981Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN2 pKi= 5.4
302 4.7 1.41039055801Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN1 pKi= 5.2
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QMean=0.426
P3: (3 Cplx.) RUN2 pKi= 6.1
304 8.3 1.81039044854ACG (31%) + 6LQ_B_4
QMean=0.301
P3: (3 Cplx.) RUN2 pKi= 6.8
305 5.9 1.51039045063RAW (31%) + 3RA_B_4
QMean=0.411
P3: (3 Cplx.) RUN1 pKi= 7
306 8.9 1.91039049602JLD (31%) + AG1_B_5
QMean=0.328
P3: (3 Cplx.) RUN2 pKi= 6.2
307 4.9 1.71039055272JLD (31%) + AG1_B_5
QMean=0.328
P3: (3 Cplx.) RUN2 pKi= 4.5
308 6.6 1.71039054351Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN1 pKi= 6.7
309 5.3 2.21039049363NR9 (32%) + NR9_C_6
QMean=0.428
P3: (3 Cplx.) RUN2 pKi= 5.8
310 6.0 1.31039041981Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN1 pKi= 5.4
311 6.7 1.81039051632JLD (31%) + AG1_B_5
QMean=0.328
P3: (3 Cplx.) RUN2 pKi= 6
312 4.3 2.21039051351Q4L (31%) + 679_A_3
QMean=0.293
P3: (3 Cplx.) RUN1 pKi= 4.4
313 5.1 2.01039051351Q4L (31%) + 679_A_3
QMean=0.293
P3: (3 Cplx.) RUN2 pKi= 4.4
314 4.8 2.01039047074ACD (31%) + GR9_B_4
QMean=0.320
P3: (3 Cplx.) RUN2 pKi= 4.2
315 7.1 2.21039048692JLD (31%) + AG1_B_5
QMean=0.328
P3: (3 Cplx.) RUN0 pKi= 5.8
316 4.7 1.71039052441Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (4 Cplx.) RUN2 pKi= 4.4
317 5.3 2.11039055214ACG (31%) + 6LQ_B_4
QMean=0.301
P3: (3 Cplx.) RUN1 pKi= 6.2
318 5.4 1.61039054164ACG (31%) + 6LQ_B_4
QMean=0.301
P3: (3 Cplx.) RUN2 pKi= 4.5
319 6.3 1.51039049901Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN2 pKi= 7
320 4.5 2.01039056393RAW (31%) + 3RA_B_4
QMean=0.411
P3: (3 Cplx.) RUN1 pKi= 7.8
321 7.0 2.11039050891Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN0 pKi= 6.6
322 5.5 1.71039055523RAW (31%) + 3RA_B_4
QMean=0.411
P3: (4 Cplx.) RUN0 pKi= 7.2
323 5.2 1.81039050311Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN1 pKi= 4.3
324 5.2 1.61039048543NR9 (32%) + NR9_C_6
QMean=0.428
P3: (3 Cplx.) RUN1 pKi= 4.7
325 6.5 1.71039047083NR9 (32%) + NR9_C_6
QMean=0.428
P3: (4 Cplx.) RUN1 pKi= 6.5
326 6.2 1.51039045541Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN1 pKi= 5.8
327 7.2 1.71039052761Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN2 pKi= 5.8
328 4.8 1.41039051234ACG (31%) + 6LQ_B_4
QMean=0.301
P3: (3 Cplx.) RUN1 pKi= 4.8
329 6.5 1.51039042073NR9 (32%) + NR9_C_6
QMean=0.428
P3: (3 Cplx.) RUN1 pKi= 6.4
330 4.6 1.41039055801Z57 (32%) + DBQ_A_2
QMean=0.426
P3: (3 Cplx.) RUN2 pKi= 5.2
331 7.5 2.51039055573NR9 (32%) + NR9_C_6
QMean=0.428
P3: (3 Cplx.) RUN1 pKi= 6
332 5.8 1.31039042521Q4L (31%) + 679_A_3
QMean=0.293
P3: (3 Cplx.) RUN1 pKi= 7.8
333 5.3 1.81039056393RAW (31%) + 3RA_B_4
QMean=0.411
P3: (3 Cplx.) RUN2 pKi= 7.8
334 5.8 1.91039052003L1S (31%) + Z92_B_5
QMean=0.359
P3: (3 Cplx.) RUN1 pKi= 4
335 4.0 2.51039052013RAW (31%) + 3RA_B_4
QMean=0.411
P4: (3 Cplx.) RUN1 pKi= 4.2
336 5.4 1.71039050293RAW (31%) + 3RA_B_4
QMean=0.411
P4: (3 Cplx.) RUN1 pKi= 5.2
337 6.2 1.71039047353NR9 (32%) + NR9_C_6
QMean=0.428
P4: (3 Cplx.) RUN0 pKi= 7.9
338 7.1 2.31039056641Z57 (32%) + DBQ_A_2
QMean=0.426
P4: (3 Cplx.) RUN0 pKi= 6

Correlation coefficient (Pearson) between mesured and calculated pKd: R=0.55



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