| ## |
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 |
96 |
28 |
8408 |
◊ |
B |
x,y,z |
1_555 |
99 |
22 |
15338 |
844.6 |
4.8 |
0.869 |
16 |
21 |
0 |
0.000 |
2 |
|
C |
96 |
26 |
8401 |
◊ |
A |
x,y,z |
1_555 |
94 |
21 |
15253 |
833.5 |
5.1 |
0.894 |
19 |
22 |
0 |
0.000 |
| Average: |
839.0 |
4.9 |
0.882 |
18 |
22 |
0 |
0.000 |
| 2 |
3 |
|
C |
42 |
10 |
8401 |
◊ |
B |
x,y,z-1 |
1_554 |
68 |
23 |
15338 |
510.9 |
-6.2 |
0.162 |
6 |
2 |
0 |
0.102 |
4 |
|
D |
42 |
10 |
8408 |
◊ |
A |
x,y,z |
1_555 |
64 |
22 |
15253 |
495.2 |
-6.8 |
0.132 |
6 |
2 |
0 |
0.102 |
| Average: |
503.1 |
-6.5 |
0.147 |
6 |
2 |
0 |
0.102 |
| 3 |
5 |
|
A |
40 |
16 |
15253 |
◊ |
B |
x,y,z-1 |
1_554 |
35 |
13 |
15338 |
346.6 |
1.1 |
0.599 |
4 |
1 |
0 |
0.000 |
6 |
|
B |
39 |
16 |
15338 |
◊ |
A |
x,y,z |
1_555 |
30 |
11 |
15253 |
336.5 |
-0.8 |
0.393 |
3 |
1 |
0 |
0.000 |
| Average: |
341.5 |
0.2 |
0.496 |
4 |
1 |
0 |
0.000 |
| 4 |
7 |
|
D |
32 |
7 |
8408 |
◊ |
C |
-y,x-y,z+2/3 |
2_555 |
41 |
10 |
8401 |
292.8 |
0.1 |
0.637 |
3 |
4 |
0 |
0.000 |
8 |
|
C |
36 |
7 |
8401 |
◊ |
D |
-y+1,x-y+1,z-1/3 |
2_664 |
37 |
10 |
8408 |
280.3 |
-0.4 |
0.573 |
2 |
4 |
0 |
0.000 |
| Average: |
286.5 |
-0.2 |
0.605 |
3 |
4 |
0 |
0.000 |
| 5 |
9 |
|
D |
21 |
6 |
8408 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
22 |
6 |
15338 |
163.8 |
4.2 |
0.948 |
5 |
9 |
0 |
0.000 |
10 |
|
C |
20 |
5 |
8401 |
◊ |
A |
-y+1,x-y+1,z-1/3 |
2_664 |
22 |
6 |
15253 |
157.6 |
3.9 |
0.946 |
6 |
9 |
0 |
0.000 |
| Average: |
160.7 |
4.0 |
0.947 |
6 |
9 |
0 |
0.000 |
| 6 |
11 |
|
C |
15 |
4 |
8401 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
18 |
6 |
15338 |
153.9 |
0.7 |
0.669 |
2 |
0 |
0 |
0.000 |
12 |
|
D |
16 |
3 |
8408 |
◊ |
A |
-y,x-y,z+2/3 |
2_555 |
20 |
7 |
15253 |
153.3 |
1.2 |
0.718 |
1 |
0 |
0 |
0.000 |
| Average: |
153.6 |
0.9 |
0.694 |
2 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[NAG]B:345 |
11 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
20 |
7 |
15338 |
153.1 |
6.5 |
0.604 |
2 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[NAG]A:345 |
11 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
15253 |
151.5 |
5.5 |
0.569 |
1 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[SO4]B:350 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
15338 |
104.8 |
-16.3 |
0.724 |
4 |
0 |
0 |
0.190 |
| 10 |
16 |
|
[SO4]A:350 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
15253 |
102.9 |
-16.7 |
0.606 |
4 |
0 |
0 |
0.195 |
| 11 |
17 |
|
[SO4]A:349 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15253 |
95.0 |
-13.6 |
0.890 |
5 |
0 |
0 |
0.167 |
| 12 |
18 |
|
[SO4]B:349 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
15338 |
91.3 |
-14.1 |
0.768 |
6 |
0 |
0 |
0.176 |
| 13 |
19 |
|
[SO4]B:348 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
15338 |
83.4 |
-12.2 |
0.763 |
5 |
0 |
0 |
0.151 |
| 14 |
20 |
|
[SO4]A:348 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15253 |
80.3 |
-11.6 |
0.855 |
5 |
0 |
0 |
0.146 |
| 15 |
21 |
|
[CO3]B:346 |
4 |
1 |
165 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
15338 |
67.9 |
0.7 |
0.691 |
5 |
0 |
0 |
0.016 |
22 |
|
[CO3]A:346 |
4 |
1 |
164 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15253 |
67.8 |
0.7 |
0.705 |
5 |
0 |
0 |
0.016 |
| Average: |
67.9 |
0.7 |
0.698 |
5 |
0 |
0 |
0.016 |
| 16 |
23 |
|
[FE]A:347 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
7 |
4 |
15253 |
52.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.107 |
24 |
|
[FE]B:347 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
7 |
4 |
15338 |
51.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
52.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.107 |
| 17 |
25 |
|
[SO4]A:348 |
4 |
1 |
185 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
15338 |
51.3 |
-5.7 |
0.949 |
3 |
0 |
0 |
0.000 |
26 |
|
[SO4]B:348 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15253 |
49.9 |
-5.7 |
0.947 |
3 |
0 |
0 |
0.000 |
| Average: |
50.6 |
-5.7 |
0.948 |
3 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[FE]B:347 |
1 |
1 |
137 |
cf |
[CO3]B:346 |
x,y,z |
1_555 |
3 |
1 |
165 |
36.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.036 |
28 |
|
[FE]A:347 |
1 |
1 |
137 |
cf |
[CO3]A:346 |
x,y,z |
1_555 |
3 |
1 |
164 |
35.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
36.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.036 |
| 19 |
29 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
8401 |
29.7 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.168 |
30 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
8408 |
29.4 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.168 |
| Average: |
29.6 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.168 |
| 20 |
31 |
|
C |
5 |
2 |
8401 |
◊ |
[ZN]D:501 |
-y+1,x-y+1,z-1/3 |
2_664 |
1 |
1 |
98 |
24.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
5 |
2 |
8408 |
◊ |
[ZN]C:502 |
-y,x-y,z+2/3 |
2_555 |
1 |
1 |
98 |
24.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
24.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
[ZN]C:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
3 |
15338 |
23.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.119 |
34 |
|
[ZN]D:501 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15253 |
23.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.119 |
| Average: |
23.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.119 |
| 22 |
35 |
|
A |
1 |
1 |
15253 |
◊ |
D |
-y+1,x-y+1,z-1/3 |
2_664 |
2 |
1 |
8408 |
10.8 |
-0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
36 |
|
B |
1 |
1 |
15338 |
◊ |
C |
-y,x-y,z+2/3 |
2_555 |
2 |
1 |
8401 |
9.3 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
| Average: |
10.0 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 23 |
37 |
|
C |
1 |
1 |
8401 |
◊ |
[SO4]A:349 |
-y+1,x-y+1,z-1/3 |
2_664 |
1 |
1 |
185 |
0.1 |
-0.0 |
0.837 |
0 |
0 |
0 |
0.000 |
|