| ## |
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 |
101 |
29 |
11627 |
◊ |
A |
x,y,z |
1_555 |
97 |
28 |
11260 |
877.6 |
-5.4 |
0.345 |
5 |
4 |
0 |
0.027 |
| 2 |
2 |
|
A |
81 |
17 |
11260 |
◊ |
A |
y,x,-z-1/2 |
7_554 |
78 |
17 |
11260 |
792.5 |
-6.3 |
0.254 |
8 |
4 |
0 |
0.033 |
| 3 |
3 |
|
B |
41 |
15 |
11627 |
◊ |
B |
y,x,-z+1/2 |
7_555 |
41 |
15 |
11627 |
436.1 |
2.7 |
0.808 |
4 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
43 |
16 |
11627 |
◊ |
A |
-x+1,y,-z |
5_655 |
48 |
18 |
11260 |
400.0 |
1.3 |
0.677 |
4 |
5 |
0 |
0.004 |
| 5 |
5 |
|
B |
31 |
10 |
11627 |
◊ |
A |
x,-y,-z |
6_555 |
30 |
10 |
11260 |
241.9 |
-0.9 |
0.503 |
2 |
3 |
0 |
0.008 |
| 6 |
6 |
|
B |
10 |
4 |
11627 |
◊ |
B |
x,-y,-z |
6_555 |
10 |
4 |
11627 |
131.0 |
-2.3 |
0.148 |
0 |
0 |
0 |
0.004 |
| 7 |
7 |
|
[GOL]A:410 |
6 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
34 |
9 |
11260 |
128.6 |
-0.6 |
0.586 |
0 |
0 |
0 |
0.004 |
| 8 |
8 |
|
[GOL]B:404 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11627 |
116.6 |
-0.9 |
0.431 |
1 |
0 |
0 |
0.005 |
| 9 |
9 |
|
[GOL]A:411 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
11260 |
110.6 |
-2.0 |
0.230 |
1 |
0 |
0 |
0.015 |
| 10 |
10 |
|
[GOL]A:409 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
11260 |
99.5 |
-1.0 |
0.375 |
1 |
0 |
0 |
0.009 |
| 11 |
11 |
|
[GOL]A:408 |
6 |
1 |
216 |
f |
B |
x,-y,-z |
6_555 |
12 |
5 |
11627 |
93.6 |
-0.1 |
0.525 |
3 |
0 |
0 |
0.005 |
| 12 |
12 |
|
[GOL]A:409 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
11627 |
87.3 |
-1.1 |
0.411 |
0 |
0 |
0 |
0.004 |
| 13 |
13 |
|
[SO4]B:403 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
11627 |
79.8 |
-11.1 |
0.685 |
2 |
0 |
0 |
0.041 |
| 14 |
14 |
|
[GOL]A:408 |
4 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
11260 |
71.6 |
-0.6 |
0.420 |
1 |
0 |
0 |
0.004 |
| 15 |
15 |
|
[SO4]A:405 |
4 |
1 |
184 |
f |
A |
y,x,-z-1/2 |
7_554 |
11 |
5 |
11260 |
70.2 |
-8.3 |
0.890 |
3 |
0 |
0 |
0.060 |
| 16 |
16 |
|
[SO4]A:406 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
11260 |
69.2 |
-9.5 |
0.766 |
1 |
0 |
0 |
0.062 |
| 17 |
17 |
|
[CL]A:412 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11260 |
56.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.039 |
| 18 |
18 |
|
[SO4]A:407 |
4 |
1 |
184 |
◊ |
A |
y,x,-z-1/2 |
7_554 |
7 |
2 |
11260 |
53.8 |
-6.0 |
0.901 |
2 |
0 |
0 |
0.043 |
| 19 |
19 |
|
[CL]A:413 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
11260 |
52.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.042 |
| 20 |
20 |
|
[SO4]A:405 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11260 |
40.4 |
-4.0 |
0.886 |
1 |
0 |
0 |
0.028 |
| 21 |
21 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
11627 |
40.1 |
-29.8 |
0.000 |
0 |
0 |
0 |
0.311 |
22 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
11260 |
34.7 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.311 |
23 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
11260 |
34.1 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.311 |
| Average: |
36.3 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.311 |
| 22 |
24 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
11627 |
37.6 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.090 |
| 23 |
25 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
B |
x,-y,-z |
6_555 |
5 |
3 |
11627 |
35.9 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.138 |
26 |
|
[ZN]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
11260 |
35.1 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.138 |
| Average: |
35.5 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.138 |
| 24 |
27 |
|
[ZN]A:404 |
1 |
1 |
98 |
◊ |
B |
-x+1,y,-z |
5_655 |
7 |
4 |
11627 |
35.9 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.135 |
28 |
|
[ZN]A:401 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11260 |
34.3 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.135 |
| Average: |
35.1 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.135 |
| 25 |
29 |
|
[SO4]A:406 |
4 |
1 |
185 |
◊ |
A |
y,x,-z-1/2 |
7_554 |
3 |
1 |
11260 |
35.7 |
-2.7 |
0.972 |
2 |
0 |
0 |
0.022 |
| 26 |
30 |
|
A |
2 |
1 |
11260 |
◊ |
A |
-x+1,y,-z |
5_655 |
2 |
1 |
11260 |
35.6 |
0.4 |
0.809 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[GOL]A:411 |
3 |
1 |
221 |
f |
[GOL]A:410 |
x,y,z |
1_555 |
2 |
1 |
211 |
27.8 |
0.3 |
0.708 |
1 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[GOL]A:411 |
1 |
1 |
221 |
f |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.050 |
| 29 |
33 |
|
[GOL]B:404 |
2 |
1 |
218 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.044 |
34 |
|
[GOL]A:411 |
3 |
1 |
221 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
18.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.044 |
| 30 |
35 |
|
[SO4]A:407 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
11260 |
20.1 |
-2.6 |
0.594 |
0 |
0 |
0 |
0.016 |
| 31 |
36 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.038 |
| 32 |
37 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.4 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.061 |
| 33 |
38 |
|
[GOL]A:410 |
4 |
1 |
211 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.026 |
| 34 |
39 |
|
[GOL]B:404 |
2 |
1 |
218 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| 35 |
40 |
|
[CL]A:412 |
1 |
1 |
125 |
◊ |
[SO4]A:405 |
y,x,-z-1/2 |
7_554 |
1 |
1 |
184 |
6.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.009 |
| 36 |
41 |
|
[GOL]B:404 |
2 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11260 |
5.7 |
-0.1 |
0.522 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[SO4]A:407 |
1 |
1 |
184 |
◊ |
[SO4]A:405 |
x,y,z |
1_555 |
1 |
1 |
184 |
5.3 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.008 |
| 38 |
43 |
|
[CL]A:412 |
1 |
1 |
125 |
f |
[SO4]A:407 |
y,x,-z-1/2 |
7_554 |
2 |
1 |
184 |
3.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
| 39 |
44 |
|
[GOL]A:410 |
2 |
1 |
211 |
f |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
|