| ## |
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 |
|
B |
92 |
22 |
3207 |
◊ |
A |
x,y,z |
1_555 |
81 |
20 |
2006 |
842.5 |
-16.3 |
0.439 |
11 |
2 |
2 |
1.000 |
2 |
|
D |
91 |
21 |
3236 |
◊ |
C |
x,y,z |
1_555 |
83 |
19 |
2054 |
839.4 |
-16.0 |
0.476 |
13 |
1 |
2 |
1.000 |
| Average: |
841.0 |
-16.2 |
0.458 |
12 |
2 |
2 |
1.000 |
| 2 |
3 |
|
D |
61 |
17 |
3236 |
◊ |
B |
x,y,z |
1_555 |
61 |
16 |
3207 |
610.8 |
-7.9 |
0.666 |
4 |
1 |
0 |
0.055 |
| 3 |
4 |
|
D |
54 |
16 |
3236 |
◊ |
B |
-y,x-y,z |
2_555 |
59 |
14 |
3207 |
521.2 |
-7.9 |
0.563 |
4 |
0 |
0 |
0.126 |
| 4 |
5 |
|
C |
17 |
4 |
2054 |
◊ |
A |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
20 |
6 |
2006 |
149.0 |
-0.3 |
0.835 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
D |
15 |
3 |
3236 |
◊ |
A |
-y,x-y,z |
2_555 |
16 |
4 |
2006 |
140.2 |
-2.6 |
0.436 |
1 |
1 |
0 |
0.087 |
7 |
|
C |
19 |
5 |
2054 |
◊ |
B |
-y,x-y,z |
2_555 |
17 |
4 |
3207 |
131.4 |
-2.8 |
0.447 |
1 |
1 |
0 |
0.087 |
| Average: |
135.8 |
-2.7 |
0.442 |
1 |
1 |
0 |
0.087 |
| 6 |
8 |
|
C |
22 |
6 |
2054 |
◊ |
B |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
15 |
3 |
3207 |
136.5 |
-0.8 |
0.738 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
9 |
4 |
2006 |
◊ |
D |
x,y,z-1 |
1_554 |
9 |
2 |
3236 |
99.4 |
-0.5 |
0.700 |
1 |
2 |
0 |
0.006 |
| 8 |
10 |
|
C |
9 |
3 |
2054 |
◊ |
A |
-y,x-y,z+1 |
2_556 |
7 |
3 |
2006 |
91.1 |
-2.3 |
0.347 |
0 |
0 |
0 |
0.010 |
| 9 |
11 |
|
C |
10 |
4 |
2054 |
◊ |
B |
-y,x-y,z+1 |
2_556 |
8 |
3 |
3207 |
86.5 |
-0.6 |
0.629 |
2 |
0 |
0 |
0.007 |
12 |
|
D |
4 |
1 |
3236 |
◊ |
A |
-y,x-y,z+1 |
2_556 |
3 |
2 |
2006 |
27.4 |
-0.0 |
0.682 |
0 |
0 |
0 |
0.007 |
| Average: |
57.0 |
-0.3 |
0.656 |
1 |
0 |
0 |
0.007 |
| 10 |
13 |
|
B |
6 |
3 |
3207 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
2 |
3236 |
59.9 |
1.0 |
0.780 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[CL]D:102 |
1 |
1 |
125 |
fx |
[CL]D:102 |
-y,x-y,z |
2_555 |
1 |
1 |
125 |
59.2 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.089 |
| 12 |
15 |
|
D |
7 |
1 |
3236 |
◊ |
B |
-y,x-y,z+1 |
2_556 |
6 |
1 |
3207 |
48.9 |
-0.8 |
0.554 |
0 |
0 |
0 |
0.003 |
| 13 |
16 |
|
C |
5 |
2 |
2054 |
◊ |
A |
-y,x-y,z |
2_555 |
6 |
2 |
2006 |
47.3 |
-0.5 |
0.551 |
1 |
0 |
0 |
0.012 |
| 14 |
17 |
|
B |
5 |
2 |
3207 |
x |
B |
-y,x-y,z |
2_555 |
3 |
1 |
3207 |
46.0 |
-0.0 |
0.697 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
3 |
1 |
3236 |
x |
D |
-y,x-y,z |
2_555 |
5 |
2 |
3236 |
44.2 |
0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
| Average: |
45.1 |
0.0 |
0.710 |
0 |
0 |
0 |
0.001 |
| 15 |
19 |
|
B |
6 |
4 |
3207 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2054 |
44.9 |
0.2 |
0.745 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
6 |
3 |
3236 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2006 |
24.0 |
0.3 |
0.799 |
0 |
0 |
0 |
0.000 |
| Average: |
34.5 |
0.3 |
0.772 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[ZN]D:101 |
1 |
1 |
98 |
fx |
[ZN]D:101 |
-y,x-y,z |
2_555 |
1 |
1 |
98 |
36.5 |
-29.2 |
0.000 |
0 |
0 |
0 |
0.221 |
| 17 |
22 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
4 |
2 |
3207 |
34.4 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.678 |
23 |
|
[ZN]D:101 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
3 |
1 |
3236 |
29.5 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.678 |
| Average: |
31.9 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.678 |
| 18 |
24 |
|
A |
4 |
2 |
2006 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
2 |
2054 |
33.8 |
-0.5 |
0.593 |
0 |
0 |
0 |
0.002 |
| 19 |
25 |
|
[CL]B:102 |
1 |
1 |
125 |
f |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.202 |
| 20 |
26 |
|
[CL]D:102 |
1 |
1 |
125 |
fx |
[ZN]D:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.308 |
| 21 |
27 |
|
A |
4 |
1 |
2006 |
x |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
5 |
2 |
2006 |
27.4 |
0.1 |
0.751 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
D |
1 |
1 |
3236 |
◊ |
B |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
2 |
1 |
3207 |
24.7 |
1.1 |
0.923 |
1 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[CL]B:102 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
2 |
1 |
3207 |
24.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.119 |
30 |
|
[CL]D:102 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
3 |
2 |
3236 |
23.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.119 |
| Average: |
23.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.119 |
| 24 |
31 |
|
B |
2 |
1 |
3207 |
◊ |
D |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
3 |
1 |
3236 |
15.7 |
-0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
D |
1 |
1 |
3236 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
2054 |
6.8 |
0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
1 |
1 |
2006 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
3207 |
2.8 |
-0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
| Average: |
4.8 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
B |
2 |
1 |
3207 |
◊ |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
2 |
2 |
2006 |
5.6 |
0.1 |
0.726 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
D |
1 |
1 |
3236 |
◊ |
A |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
1 |
1 |
2006 |
1.0 |
-0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
D |
1 |
1 |
3236 |
x |
D |
-x+y-1/3,-x+1/3,z-2/3 |
6_454 |
1 |
1 |
3236 |
0.3 |
0.0 |
0.690 |
0 |
0 |
0 |
0.000 |
|