| ## |
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 |
46 |
15 |
10063 |
◊ |
A |
x,y,z |
1_555 |
46 |
16 |
10310 |
479.9 |
0.4 |
0.623 |
8 |
2 |
0 |
0.000 |
| 2 |
2 |
|
D |
43 |
12 |
10063 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
46 |
14 |
10458 |
397.7 |
-3.6 |
0.273 |
3 |
0 |
0 |
0.000 |
3 |
|
D |
39 |
12 |
10063 |
◊ |
B |
x,y,z |
1_555 |
40 |
11 |
10132 |
358.6 |
-2.7 |
0.301 |
4 |
0 |
0 |
0.000 |
| Average: |
378.1 |
-3.1 |
0.287 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
C |
43 |
11 |
10458 |
◊ |
A |
x,y,z |
1_555 |
44 |
13 |
10310 |
385.2 |
-0.6 |
0.552 |
5 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
49 |
15 |
10132 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
37 |
10 |
10310 |
363.2 |
-3.7 |
0.287 |
5 |
0 |
0 |
0.000 |
| 5 |
6 |
|
C |
29 |
10 |
10458 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
10132 |
266.1 |
0.8 |
0.676 |
6 |
0 |
0 |
0.000 |
7 |
|
D |
25 |
8 |
10063 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
25 |
8 |
10063 |
243.2 |
2.8 |
0.828 |
8 |
0 |
0 |
0.000 |
| Average: |
254.6 |
1.8 |
0.752 |
7 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
17 |
6 |
10132 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
27 |
9 |
10310 |
218.2 |
-1.0 |
0.398 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
27 |
10 |
10132 |
◊ |
B |
-x,y,-z |
2_555 |
27 |
10 |
10132 |
216.6 |
-0.1 |
0.595 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
C |
18 |
8 |
10458 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
24 |
9 |
10310 |
197.5 |
-0.3 |
0.534 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
D |
23 |
11 |
10063 |
◊ |
C |
x,y,z |
1_555 |
25 |
8 |
10458 |
193.4 |
0.2 |
0.581 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
23 |
10 |
10458 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
22 |
8 |
10063 |
167.5 |
0.9 |
0.655 |
2 |
0 |
0 |
0.000 |
| Average: |
180.5 |
0.5 |
0.618 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[NCA]B:1246 |
9 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
10132 |
170.2 |
4.3 |
0.418 |
2 |
0 |
0 |
0.000 |
14 |
|
[NCA]D:1247 |
9 |
1 |
269 |
f |
D |
x,y,z |
1_555 |
30 |
10 |
10063 |
168.6 |
4.3 |
0.400 |
2 |
0 |
0 |
0.000 |
15 |
|
[NCA]C:1252 |
9 |
1 |
269 |
f |
C |
x,y,z |
1_555 |
30 |
11 |
10458 |
167.9 |
4.4 |
0.428 |
2 |
0 |
0 |
0.000 |
16 |
|
[NCA]A:1252 |
9 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
31 |
10 |
10310 |
162.7 |
4.4 |
0.465 |
2 |
0 |
0 |
0.000 |
| Average: |
167.4 |
4.4 |
0.428 |
2 |
0 |
0 |
0.000 |
| 11 |
17 |
|
D |
13 |
6 |
10063 |
◊ |
C |
x,y-1,z |
1_545 |
21 |
8 |
10458 |
168.4 |
1.8 |
0.721 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[SO4]C:1253 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
10458 |
109.4 |
-13.5 |
0.852 |
5 |
0 |
0 |
0.093 |
| 13 |
19 |
|
B |
11 |
4 |
10132 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10310 |
102.2 |
1.3 |
0.782 |
3 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[SO4]B:1247 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
10132 |
93.4 |
-11.0 |
0.855 |
4 |
0 |
0 |
0.092 |
| 15 |
21 |
|
[SO4]D:1248 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
10063 |
92.1 |
-11.4 |
0.868 |
6 |
0 |
0 |
0.092 |
| 16 |
22 |
|
[SO4]A:1253 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
10310 |
89.6 |
-11.8 |
0.831 |
6 |
0 |
0 |
0.092 |
| 17 |
23 |
|
A |
9 |
4 |
10310 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
9 |
4 |
10310 |
67.4 |
0.9 |
0.756 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[SO4]C:1253 |
4 |
1 |
185 |
f |
[NCA]C:1252 |
x,y,z |
1_555 |
3 |
1 |
269 |
41.7 |
-4.3 |
0.320 |
1 |
0 |
0 |
0.028 |
| 19 |
25 |
|
[SO4]A:1253 |
4 |
1 |
185 |
f |
[NCA]A:1252 |
x,y,z |
1_555 |
4 |
1 |
268 |
40.7 |
-3.9 |
0.192 |
2 |
0 |
0 |
0.031 |
| 20 |
26 |
|
[SO4]D:1248 |
4 |
1 |
186 |
f |
[NCA]D:1247 |
x,y,z |
1_555 |
3 |
1 |
269 |
39.8 |
-3.8 |
0.320 |
2 |
0 |
0 |
0.031 |
| 21 |
27 |
|
C |
6 |
4 |
10458 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
9 |
5 |
10310 |
38.5 |
-0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[SO4]B:1247 |
4 |
1 |
185 |
f |
[NCA]B:1246 |
x,y,z |
1_555 |
4 |
1 |
267 |
37.3 |
-4.1 |
0.192 |
1 |
0 |
0 |
0.033 |
| 23 |
29 |
|
B |
4 |
2 |
10132 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
10458 |
28.7 |
0.5 |
0.718 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
D |
3 |
3 |
10063 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
3 |
10132 |
5.8 |
0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
|