## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
D |
91 |
21 |
3282 |
◊ |
C |
x,y,z |
1_555 |
84 |
19 |
2081 |
850.1 |
-16.2 |
0.518 |
14 |
2 |
2 |
1.000 |
2 |
|
B |
91 |
22 |
3233 |
◊ |
A |
x,y,z |
1_555 |
79 |
20 |
2031 |
850.1 |
-15.3 |
0.541 |
11 |
2 |
2 |
1.000 |
Average: |
850.1 |
-15.7 |
0.529 |
13 |
2 |
2 |
1.000 |
2 |
3 |
|
D |
62 |
16 |
3282 |
◊ |
B |
x,y,z |
1_555 |
60 |
15 |
3233 |
594.3 |
-8.1 |
0.671 |
4 |
0 |
0 |
1.000 |
3 |
4 |
|
D |
58 |
15 |
3282 |
◊ |
B |
-y,x-y,z |
2_555 |
58 |
15 |
3233 |
507.0 |
-7.8 |
0.620 |
1 |
0 |
0 |
0.120 |
4 |
5 |
|
C |
17 |
4 |
2081 |
◊ |
A |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
19 |
6 |
2031 |
147.3 |
-0.5 |
0.847 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
D |
16 |
3 |
3282 |
◊ |
A |
-y,x-y,z |
2_555 |
17 |
4 |
2031 |
139.7 |
-2.6 |
0.491 |
1 |
1 |
0 |
0.088 |
7 |
|
C |
17 |
4 |
2081 |
◊ |
B |
-y,x-y,z |
2_555 |
13 |
3 |
3233 |
130.0 |
-2.7 |
0.396 |
1 |
1 |
0 |
0.088 |
Average: |
134.8 |
-2.7 |
0.443 |
1 |
1 |
0 |
0.088 |
6 |
8 |
|
C |
23 |
6 |
2081 |
◊ |
B |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
13 |
3 |
3233 |
138.3 |
-1.7 |
0.531 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
9 |
4 |
2031 |
◊ |
D |
x,y,z-1 |
1_554 |
9 |
2 |
3282 |
92.3 |
-0.1 |
0.779 |
0 |
2 |
0 |
0.003 |
8 |
10 |
|
C |
8 |
3 |
2081 |
◊ |
A |
-y,x-y,z+1 |
2_556 |
7 |
3 |
2031 |
83.8 |
-2.2 |
0.361 |
0 |
0 |
0 |
0.019 |
9 |
11 |
|
C |
10 |
4 |
2081 |
◊ |
B |
-y,x-y,z+1 |
2_556 |
8 |
3 |
3233 |
81.5 |
-0.7 |
0.647 |
1 |
0 |
0 |
0.010 |
12 |
|
D |
3 |
1 |
3282 |
◊ |
A |
-y,x-y,z+1 |
2_556 |
3 |
2 |
2031 |
25.2 |
-0.0 |
0.638 |
0 |
0 |
0 |
0.010 |
Average: |
53.3 |
-0.4 |
0.642 |
1 |
0 |
0 |
0.010 |
10 |
13 |
|
B |
7 |
3 |
3233 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
2 |
3282 |
60.0 |
1.1 |
0.852 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
D |
6 |
1 |
3282 |
◊ |
B |
-y,x-y,z+1 |
2_556 |
6 |
1 |
3233 |
49.0 |
-0.8 |
0.561 |
0 |
0 |
0 |
0.007 |
12 |
15 |
|
B |
5 |
2 |
3233 |
x |
B |
-y,x-y,z |
2_555 |
3 |
1 |
3233 |
46.7 |
-0.1 |
0.704 |
0 |
0 |
0 |
0.002 |
16 |
|
D |
3 |
1 |
3282 |
x |
D |
-y,x-y,z |
2_555 |
5 |
2 |
3282 |
46.1 |
0.0 |
0.713 |
0 |
0 |
0 |
0.002 |
Average: |
46.4 |
-0.0 |
0.708 |
0 |
0 |
0 |
0.002 |
13 |
17 |
|
B |
6 |
4 |
3233 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2081 |
44.1 |
0.2 |
0.750 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
4 |
3 |
3282 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2031 |
24.8 |
0.5 |
0.829 |
0 |
0 |
0 |
0.000 |
Average: |
34.5 |
0.4 |
0.790 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
C |
5 |
2 |
2081 |
◊ |
A |
-y,x-y,z |
2_555 |
6 |
2 |
2031 |
44.1 |
-0.5 |
0.586 |
1 |
0 |
0 |
0.012 |
15 |
20 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
4 |
2 |
3233 |
34.2 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.682 |
21 |
|
[ZN]D:101 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
4 |
2 |
3282 |
33.5 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.682 |
Average: |
33.9 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.682 |
16 |
22 |
|
[CL]D:102 |
1 |
1 |
125 |
f |
[ZN]D:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.224 |
17 |
23 |
|
[CL]B:102 |
1 |
1 |
125 |
f |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.205 |
18 |
24 |
|
A |
4 |
2 |
2031 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
2 |
2081 |
28.2 |
-0.3 |
0.620 |
0 |
0 |
0 |
0.002 |
19 |
25 |
|
D |
1 |
1 |
3282 |
◊ |
B |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
1 |
1 |
3233 |
27.2 |
0.4 |
0.402 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[CL]D:102 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
3 |
2 |
3282 |
27.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.130 |
27 |
|
[CL]B:102 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
2 |
1 |
3233 |
21.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
24.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.130 |
21 |
28 |
|
A |
3 |
1 |
2031 |
x |
A |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
5 |
2 |
2031 |
25.0 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
D |
2 |
1 |
3282 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
2 |
2081 |
17.6 |
0.4 |
0.810 |
1 |
0 |
0 |
0.000 |
30 |
|
A |
1 |
1 |
2031 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
3233 |
0.8 |
-0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
Average: |
9.2 |
0.2 |
0.723 |
1 |
0 |
0 |
0.000 |
23 |
31 |
|
B |
2 |
1 |
3233 |
◊ |
D |
-y-1/3,x-y+1/3,z-2/3 |
5_454 |
3 |
1 |
3282 |
11.6 |
-0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
B |
2 |
1 |
3233 |
◊ |
A |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
2 |
2 |
2031 |
2.8 |
0.0 |
0.712 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
D |
1 |
1 |
3282 |
x |
D |
-x+y-1/3,-x-2/3,z-2/3 |
6_444 |
1 |
1 |
3282 |
2.1 |
0.0 |
0.674 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
B |
1 |
1 |
3233 |
x |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
1 |
1 |
3233 |
2.0 |
-0.0 |
0.660 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
C |
1 |
1 |
2081 |
◊ |
D |
-x+y-1/3,-x-2/3,z-2/3 |
6_444 |
1 |
1 |
3282 |
0.6 |
-0.0 |
0.702 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
D |
2 |
1 |
3282 |
◊ |
A |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
2 |
1 |
2031 |
0.5 |
0.0 |
0.682 |
0 |
0 |
0 |
0.000 |
|