## |
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 |
110 |
29 |
9505 |
◊ |
B |
-x+1,y,-z+1 |
4_656 |
110 |
29 |
9505 |
1084.1 |
-1.7 |
0.509 |
20 |
10 |
0 |
0.163 |
2 |
|
C |
112 |
30 |
9806 |
◊ |
A |
x,y,z |
1_555 |
109 |
28 |
9524 |
1083.3 |
-1.3 |
0.467 |
19 |
10 |
0 |
0.163 |
Average: |
1083.7 |
-1.5 |
0.488 |
20 |
10 |
0 |
0.163 |
2 |
3 |
|
C |
83 |
22 |
9806 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
63 |
22 |
9524 |
694.7 |
-2.3 |
0.326 |
8 |
4 |
0 |
0.128 |
4 |
|
C |
64 |
20 |
9806 |
◊ |
B |
x,y,z |
1_555 |
81 |
22 |
9505 |
693.3 |
-2.4 |
0.361 |
7 |
4 |
0 |
0.128 |
5 |
|
B |
58 |
20 |
9505 |
◊ |
A |
-x+1,y,-z+1 |
4_656 |
85 |
23 |
9524 |
669.3 |
-2.5 |
0.303 |
7 |
4 |
0 |
0.128 |
Average: |
685.8 |
-2.4 |
0.330 |
7 |
4 |
0 |
0.128 |
3 |
6 |
|
A |
68 |
22 |
9524 |
◊ |
C |
x-1/2,-y+1/2,-z+1/2 |
7_455 |
70 |
14 |
9806 |
648.6 |
-0.2 |
0.498 |
13 |
6 |
0 |
0.000 |
4 |
7 |
|
A |
31 |
8 |
9524 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
31 |
8 |
9524 |
279.8 |
-1.8 |
0.302 |
2 |
0 |
0 |
0.025 |
8 |
|
C |
30 |
8 |
9806 |
◊ |
B |
-x+1,y,-z+1 |
4_656 |
30 |
8 |
9505 |
274.7 |
-1.4 |
0.363 |
2 |
0 |
0 |
0.025 |
Average: |
277.2 |
-1.6 |
0.333 |
2 |
0 |
0 |
0.025 |
5 |
9 |
|
[NHE]A:301 |
13 |
1 |
370 |
◊ |
A |
x,y,z |
1_555 |
30 |
12 |
9524 |
220.3 |
6.0 |
0.324 |
1 |
0 |
0 |
0.000 |
6 |
10 |
|
[NHE]B:301 |
13 |
1 |
374 |
f |
B |
x,y,z |
1_555 |
29 |
12 |
9505 |
217.6 |
5.3 |
0.313 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
[NHE]C:301 |
13 |
1 |
365 |
f |
C |
x,y,z |
1_555 |
31 |
11 |
9806 |
217.2 |
5.6 |
0.273 |
2 |
0 |
0 |
0.000 |
8 |
12 |
|
[SO4]C:302 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
9806 |
116.3 |
-17.8 |
0.606 |
5 |
0 |
0 |
0.290 |
9 |
13 |
|
[SO4]B:302 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
9505 |
101.5 |
-15.7 |
0.617 |
4 |
0 |
0 |
0.351 |
10 |
14 |
|
[SO4]A:302 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9524 |
76.2 |
-12.2 |
0.596 |
3 |
0 |
0 |
0.197 |
11 |
15 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9505 |
75.0 |
-11.3 |
0.644 |
2 |
0 |
0 |
0.245 |
12 |
16 |
|
C |
8 |
2 |
9806 |
◊ |
B |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
11 |
4 |
9505 |
70.5 |
0.3 |
0.627 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[NA]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
9505 |
68.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.297 |
18 |
|
[NA]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
9524 |
68.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.297 |
19 |
|
[NA]C:303 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
9806 |
68.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.297 |
Average: |
68.6 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.297 |
14 |
20 |
|
[SO4]B:303 |
4 |
1 |
186 |
◊ |
B |
-x+1,y,-z+1 |
4_656 |
7 |
4 |
9505 |
60.3 |
-8.1 |
0.664 |
1 |
0 |
0 |
0.171 |
15 |
21 |
|
[SO4]A:302 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
9806 |
59.7 |
-7.9 |
0.656 |
1 |
0 |
0 |
0.121 |
16 |
22 |
|
[CA]B:304 |
1 |
1 |
85 |
x |
B |
x,y,z |
1_555 |
5 |
2 |
9505 |
40.2 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.150 |
23 |
|
[CA]A:303 |
1 |
1 |
85 |
x |
A |
x,y,z |
1_555 |
4 |
2 |
9524 |
32.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.150 |
24 |
|
[CA]A:303 |
1 |
1 |
85 |
x |
C |
x,y,z |
1_555 |
5 |
2 |
9806 |
31.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.150 |
Average: |
34.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.150 |
17 |
25 |
|
A |
6 |
3 |
9524 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
7_455 |
8 |
3 |
9505 |
29.4 |
0.7 |
0.731 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
B |
2 |
1 |
9505 |
◊ |
B |
-x+2,y,-z+1 |
4_756 |
2 |
1 |
9505 |
26.4 |
1.0 |
0.912 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
2 |
1 |
9524 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
9806 |
22.0 |
0.9 |
0.864 |
0 |
0 |
0 |
0.000 |
Average: |
24.2 |
1.0 |
0.888 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[NA]A:304 |
1 |
1 |
125 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
2 |
1 |
9806 |
11.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
29 |
|
[NA]C:303 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
9505 |
10.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
30 |
|
[NA]B:305 |
1 |
1 |
125 |
◊ |
A |
-x+1,y,-z+1 |
4_656 |
2 |
1 |
9524 |
10.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
10.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
20 |
31 |
|
[SO4]A:302 |
2 |
1 |
185 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
3 |
3 |
9524 |
10.4 |
-1.1 |
0.796 |
0 |
0 |
0 |
0.008 |
21 |
32 |
|
[SO4]B:303 |
1 |
1 |
186 |
◊ |
C |
-x+1,y,-z+1 |
4_656 |
7 |
3 |
9806 |
9.9 |
-1.2 |
0.667 |
0 |
0 |
0 |
0.008 |
22 |
33 |
|
[NHE]A:301 |
1 |
1 |
370 |
f |
C |
x-1/2,-y+1/2,-z+1/2 |
7_455 |
1 |
1 |
9806 |
0.7 |
0.0 |
0.324 |
0 |
0 |
0 |
0.000 |
|