| ## |
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 |
3257 |
◊ |
A |
x,y,z |
1_555 |
80 |
20 |
2046 |
860.7 |
-15.7 |
0.506 |
10 |
2 |
2 |
1.000 |
2 |
|
D |
92 |
21 |
3282 |
◊ |
C |
x,y,z |
1_555 |
88 |
19 |
2082 |
844.6 |
-16.5 |
0.515 |
12 |
2 |
2 |
1.000 |
| Average: |
852.6 |
-16.1 |
0.511 |
11 |
2 |
2 |
1.000 |
| 2 |
3 |
|
D |
66 |
17 |
3282 |
◊ |
B |
x,y,z |
1_555 |
58 |
15 |
3257 |
589.5 |
-8.9 |
0.631 |
4 |
0 |
0 |
0.161 |
| 3 |
4 |
|
B |
58 |
15 |
3257 |
◊ |
D |
-y,x-y,z |
2_555 |
60 |
15 |
3282 |
523.2 |
-8.4 |
0.574 |
2 |
0 |
0 |
0.141 |
| 4 |
5 |
|
A |
19 |
5 |
2046 |
◊ |
C |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
17 |
4 |
2082 |
148.9 |
-0.6 |
0.834 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
13 |
3 |
3257 |
◊ |
C |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
22 |
6 |
2082 |
145.8 |
-1.9 |
0.475 |
2 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
19 |
3 |
2046 |
◊ |
D |
-y,x-y,z |
2_555 |
16 |
3 |
3282 |
136.5 |
-2.7 |
0.493 |
1 |
1 |
0 |
0.088 |
8 |
|
B |
12 |
3 |
3257 |
◊ |
C |
-y,x-y,z |
2_555 |
18 |
4 |
2082 |
127.7 |
-2.8 |
0.352 |
1 |
1 |
0 |
0.088 |
| Average: |
132.1 |
-2.7 |
0.423 |
1 |
1 |
0 |
0.088 |
| 7 |
9 |
|
D |
9 |
2 |
3282 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
3 |
2046 |
91.0 |
0.8 |
0.860 |
2 |
2 |
0 |
0.000 |
| 8 |
10 |
|
A |
7 |
3 |
2046 |
◊ |
C |
-y,x-y,z+1 |
2_556 |
7 |
3 |
2082 |
89.6 |
-1.9 |
0.383 |
0 |
0 |
0 |
0.002 |
| 9 |
11 |
|
B |
9 |
3 |
3257 |
◊ |
C |
-y,x-y,z+1 |
2_556 |
9 |
5 |
2082 |
81.2 |
-0.8 |
0.649 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
3 |
2 |
2046 |
◊ |
D |
-y,x-y,z+1 |
2_556 |
4 |
1 |
3282 |
26.4 |
1.1 |
0.893 |
0 |
0 |
0 |
0.000 |
| Average: |
53.8 |
0.2 |
0.771 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
D |
4 |
2 |
3282 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
3 |
3257 |
51.4 |
1.3 |
0.871 |
3 |
0 |
0 |
0.000 |
| 11 |
14 |
|
B |
3 |
1 |
3257 |
x |
B |
-y,x-y,z |
2_555 |
5 |
2 |
3257 |
51.4 |
-0.0 |
0.711 |
0 |
0 |
0 |
0.001 |
15 |
|
D |
5 |
2 |
3282 |
x |
D |
-y,x-y,z |
2_555 |
3 |
1 |
3282 |
48.0 |
0.0 |
0.707 |
0 |
0 |
0 |
0.001 |
| Average: |
49.7 |
-0.0 |
0.709 |
0 |
0 |
0 |
0.001 |
| 12 |
16 |
|
B |
6 |
1 |
3257 |
◊ |
D |
-y,x-y,z+1 |
2_556 |
7 |
1 |
3282 |
50.4 |
-0.9 |
0.547 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
A |
5 |
2 |
2046 |
◊ |
C |
-y,x-y,z |
2_555 |
6 |
2 |
2082 |
46.0 |
-0.4 |
0.584 |
1 |
0 |
0 |
0.011 |
| 14 |
18 |
|
B |
5 |
3 |
3257 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2082 |
43.6 |
0.1 |
0.709 |
0 |
0 |
0 |
0.003 |
19 |
|
D |
6 |
3 |
3282 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
2046 |
35.4 |
0.5 |
0.849 |
2 |
0 |
0 |
0.003 |
| Average: |
39.5 |
0.3 |
0.779 |
1 |
0 |
0 |
0.003 |
| 15 |
20 |
|
C |
4 |
2 |
2082 |
◊ |
A |
x,y,z-1 |
1_554 |
5 |
2 |
2046 |
34.7 |
-0.4 |
0.583 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
3 |
1 |
3257 |
34.0 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.763 |
22 |
|
[ZN]D:101 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
3 |
1 |
3282 |
33.4 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.763 |
| Average: |
33.7 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.763 |
| 17 |
23 |
|
[CL]D:102 |
1 |
1 |
125 |
f |
[ZN]D:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.0 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.213 |
| 18 |
24 |
|
A |
6 |
3 |
2046 |
x |
A |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
4 |
1 |
2046 |
29.0 |
0.2 |
0.769 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
D |
5 |
1 |
3282 |
◊ |
B |
-y-1/3,x-y-2/3,z-2/3 |
5_444 |
2 |
1 |
3257 |
23.1 |
0.3 |
0.807 |
1 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[CL]B:102 |
1 |
1 |
125 |
f |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.182 |
| 21 |
27 |
|
[CL]D:102 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
3 |
2 |
3282 |
22.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.116 |
28 |
|
[CL]B:102 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
2 |
1 |
3257 |
12.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.116 |
| Average: |
17.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.116 |
| 22 |
29 |
|
B |
3 |
1 |
3257 |
◊ |
D |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
1 |
1 |
3282 |
21.1 |
0.5 |
0.684 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
C |
3 |
2 |
2082 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
3282 |
19.3 |
-0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
31 |
|
B |
1 |
1 |
3257 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
2046 |
0.2 |
-0.0 |
0.706 |
0 |
0 |
0 |
0.000 |
| Average: |
9.7 |
-0.0 |
0.688 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
A |
3 |
2 |
2046 |
◊ |
B |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
1 |
1 |
3257 |
3.5 |
0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
D |
2 |
2 |
3282 |
x |
D |
-x+y-1/3,-x-2/3,z-2/3 |
6_444 |
3 |
1 |
3282 |
2.6 |
0.0 |
0.693 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
A |
2 |
1 |
2046 |
◊ |
D |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
2 |
1 |
3282 |
1.8 |
0.1 |
0.704 |
0 |
0 |
0 |
0.000 |
|