## |
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 |
|
F |
157 |
47 |
10908 |
◊ |
E |
x,y,z |
1_555 |
157 |
49 |
10966 |
1461.5 |
-16.7 |
0.097 |
13 |
2 |
0 |
0.313 |
2 |
|
D |
157 |
46 |
10820 |
◊ |
A |
x,y,z |
1_555 |
157 |
46 |
10913 |
1431.3 |
-15.9 |
0.140 |
13 |
0 |
0 |
0.313 |
3 |
|
C |
152 |
43 |
11123 |
◊ |
B |
x,y,z |
1_555 |
154 |
44 |
10970 |
1405.0 |
-18.6 |
0.059 |
12 |
0 |
0 |
0.313 |
Average: |
1432.6 |
-17.1 |
0.099 |
13 |
1 |
0 |
0.313 |
2 |
4 |
|
E |
121 |
33 |
10966 |
◊ |
B |
x,y,z |
1_555 |
115 |
32 |
10970 |
1149.3 |
-11.7 |
0.178 |
18 |
5 |
1 |
0.347 |
5 |
|
C |
111 |
30 |
11123 |
◊ |
A |
x,y,z |
1_555 |
111 |
31 |
10913 |
1100.5 |
-10.7 |
0.183 |
19 |
6 |
1 |
0.347 |
6 |
|
F |
111 |
31 |
10908 |
◊ |
D |
x,y,z |
1_555 |
114 |
32 |
10820 |
1083.3 |
-12.2 |
0.176 |
17 |
7 |
1 |
0.347 |
Average: |
1111.1 |
-11.6 |
0.179 |
18 |
6 |
1 |
0.347 |
3 |
7 |
|
D |
33 |
12 |
10820 |
◊ |
B |
x,y,z-1 |
1_554 |
36 |
12 |
10970 |
278.7 |
0.4 |
0.721 |
2 |
0 |
0 |
0.000 |
8 |
|
E |
35 |
11 |
10966 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
11 |
10913 |
263.3 |
-0.2 |
0.636 |
2 |
0 |
0 |
0.000 |
Average: |
271.0 |
0.1 |
0.678 |
2 |
0 |
0 |
0.000 |
4 |
9 |
|
[GMP]E:5260 |
20 |
1 |
425 |
f |
E |
x,y,z |
1_555 |
41 |
17 |
10966 |
248.9 |
0.4 |
0.399 |
6 |
0 |
0 |
0.055 |
10 |
|
[GMP]B:2260 |
20 |
1 |
424 |
f |
B |
x,y,z |
1_555 |
41 |
17 |
10970 |
247.5 |
0.5 |
0.435 |
5 |
0 |
0 |
0.055 |
11 |
|
[GMP]D:4260 |
20 |
1 |
423 |
f |
D |
x,y,z |
1_555 |
41 |
17 |
10820 |
245.5 |
0.4 |
0.422 |
6 |
0 |
0 |
0.055 |
12 |
|
[GMP]A:1260 |
20 |
1 |
421 |
f |
A |
x,y,z |
1_555 |
40 |
17 |
10913 |
244.4 |
0.4 |
0.400 |
5 |
0 |
0 |
0.055 |
13 |
|
[GMP]C:3260 |
20 |
1 |
421 |
f |
C |
x,y,z |
1_555 |
40 |
17 |
11123 |
244.1 |
0.5 |
0.422 |
5 |
0 |
0 |
0.055 |
14 |
|
[GMP]F:6260 |
20 |
1 |
423 |
f |
F |
x,y,z |
1_555 |
39 |
16 |
10908 |
243.3 |
0.6 |
0.444 |
5 |
0 |
0 |
0.055 |
Average: |
245.6 |
0.5 |
0.420 |
5 |
0 |
0 |
0.055 |
5 |
15 |
|
D |
21 |
9 |
10820 |
◊ |
F |
-x+3,y-1/2,-z+3 |
2_848 |
19 |
6 |
10908 |
189.2 |
-1.3 |
0.440 |
1 |
0 |
0 |
0.000 |
6 |
16 |
|
F |
8 |
2 |
10908 |
◊ |
D |
-x+3,y-1/2,-z+3 |
2_848 |
17 |
8 |
10820 |
120.7 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
7 |
17 |
|
F |
11 |
5 |
10908 |
x |
F |
-x+3,y-1/2,-z+3 |
2_848 |
16 |
7 |
10908 |
116.5 |
-0.2 |
0.573 |
0 |
1 |
0 |
0.000 |
8 |
18 |
|
[SO4]E:5250 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
22 |
12 |
10966 |
90.4 |
-13.3 |
0.708 |
7 |
0 |
0 |
0.477 |
19 |
|
[SO4]C:3250 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
11123 |
89.5 |
-13.4 |
0.684 |
7 |
0 |
0 |
0.477 |
20 |
|
[SO4]F:6250 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
21 |
10 |
10908 |
89.4 |
-13.4 |
0.700 |
6 |
0 |
0 |
0.477 |
21 |
|
[SO4]B:2250 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
10970 |
83.8 |
-12.9 |
0.746 |
9 |
0 |
0 |
0.477 |
22 |
|
[SO4]A:1250 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
10913 |
82.0 |
-13.1 |
0.724 |
10 |
0 |
0 |
0.477 |
23 |
|
[SO4]D:4250 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
10820 |
80.9 |
-13.1 |
0.736 |
9 |
0 |
0 |
0.477 |
Average: |
86.0 |
-13.2 |
0.716 |
8 |
0 |
0 |
0.477 |
9 |
24 |
|
D |
15 |
8 |
10820 |
◊ |
E |
-x+3,y-1/2,-z+3 |
2_848 |
8 |
3 |
10966 |
79.6 |
1.7 |
0.849 |
3 |
0 |
0 |
0.000 |
10 |
25 |
|
E |
7 |
3 |
10966 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11123 |
67.2 |
0.8 |
0.760 |
1 |
0 |
0 |
0.001 |
26 |
|
F |
8 |
2 |
10908 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
10970 |
60.8 |
0.6 |
0.746 |
1 |
0 |
0 |
0.001 |
27 |
|
E |
3 |
1 |
10966 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
10820 |
34.7 |
0.2 |
0.695 |
1 |
0 |
0 |
0.001 |
28 |
|
B |
3 |
1 |
10970 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10913 |
34.5 |
0.2 |
0.711 |
1 |
0 |
0 |
0.001 |
29 |
|
D |
3 |
1 |
10820 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
11123 |
34.1 |
0.2 |
0.704 |
1 |
0 |
0 |
0.001 |
30 |
|
F |
8 |
3 |
10908 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10913 |
31.3 |
-0.2 |
0.575 |
0 |
0 |
0 |
0.001 |
Average: |
43.8 |
0.3 |
0.699 |
1 |
0 |
0 |
0.001 |
11 |
31 |
|
[GMP]F:6260 |
9 |
1 |
423 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
10966 |
64.5 |
1.5 |
0.586 |
2 |
0 |
0 |
0.000 |
32 |
|
[GMP]C:3260 |
7 |
1 |
421 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
10970 |
64.3 |
1.4 |
0.598 |
2 |
0 |
0 |
0.000 |
33 |
|
[GMP]E:5260 |
7 |
1 |
425 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
10908 |
64.2 |
1.5 |
0.608 |
2 |
0 |
0 |
0.000 |
34 |
|
[GMP]B:2260 |
7 |
1 |
424 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
11123 |
63.8 |
1.5 |
0.614 |
2 |
0 |
0 |
0.000 |
35 |
|
[GMP]A:1260 |
8 |
1 |
421 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
10820 |
63.8 |
1.4 |
0.588 |
2 |
0 |
0 |
0.000 |
36 |
|
[GMP]D:4260 |
7 |
1 |
423 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
10913 |
63.1 |
1.4 |
0.590 |
2 |
0 |
0 |
0.000 |
Average: |
64.0 |
1.5 |
0.597 |
2 |
0 |
0 |
0.000 |
12 |
37 |
|
F |
3 |
2 |
10908 |
◊ |
A |
-x+3,y-1/2,-z+3 |
2_848 |
8 |
3 |
10913 |
49.0 |
1.1 |
0.801 |
1 |
0 |
0 |
0.000 |
13 |
38 |
|
[GMP]E:5260 |
6 |
1 |
425 |
f |
[SO4]E:5250 |
x,y,z |
1_555 |
4 |
1 |
186 |
39.8 |
-4.9 |
0.507 |
0 |
0 |
0 |
0.136 |
39 |
|
[GMP]B:2260 |
6 |
1 |
424 |
f |
[SO4]B:2250 |
x,y,z |
1_555 |
4 |
1 |
186 |
39.6 |
-4.8 |
0.507 |
0 |
0 |
0 |
0.136 |
40 |
|
[GMP]F:6260 |
6 |
1 |
423 |
f |
[SO4]F:6250 |
x,y,z |
1_555 |
4 |
1 |
186 |
39.5 |
-4.9 |
0.500 |
0 |
0 |
0 |
0.136 |
41 |
|
[GMP]A:1260 |
6 |
1 |
421 |
f |
[SO4]A:1250 |
x,y,z |
1_555 |
4 |
1 |
186 |
39.3 |
-4.8 |
0.495 |
0 |
0 |
0 |
0.136 |
42 |
|
[GMP]D:4260 |
6 |
1 |
423 |
f |
[SO4]D:4250 |
x,y,z |
1_555 |
4 |
1 |
185 |
39.3 |
-4.9 |
0.479 |
0 |
0 |
0 |
0.136 |
43 |
|
[GMP]C:3260 |
6 |
1 |
421 |
f |
[SO4]C:3250 |
x,y,z |
1_555 |
4 |
1 |
185 |
39.1 |
-4.9 |
0.504 |
0 |
0 |
0 |
0.136 |
Average: |
39.4 |
-4.8 |
0.499 |
0 |
0 |
0 |
0.136 |
14 |
44 |
|
[SO4]A:1250 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
10820 |
32.1 |
-2.2 |
0.979 |
3 |
0 |
0 |
0.093 |
45 |
|
[SO4]F:6250 |
3 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
10966 |
32.0 |
-2.2 |
0.974 |
3 |
0 |
0 |
0.093 |
46 |
|
[SO4]C:3250 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10970 |
31.9 |
-2.2 |
0.976 |
3 |
0 |
0 |
0.093 |
47 |
|
[SO4]B:2250 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11123 |
31.8 |
-2.3 |
0.975 |
3 |
0 |
0 |
0.093 |
Average: |
32.0 |
-2.2 |
0.976 |
3 |
0 |
0 |
0.093 |
15 |
48 |
|
[SO4]D:4250 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10913 |
31.9 |
-2.3 |
0.976 |
2 |
0 |
0 |
0.047 |
49 |
|
[SO4]E:5250 |
3 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
10908 |
30.7 |
-2.2 |
0.979 |
3 |
0 |
0 |
0.047 |
Average: |
31.3 |
-2.3 |
0.978 |
3 |
0 |
0 |
0.047 |
16 |
50 |
|
F |
1 |
1 |
10908 |
◊ |
C |
x-1,y,z-1 |
1_454 |
1 |
1 |
11123 |
0.6 |
0.0 |
0.702 |
0 |
0 |
0 |
0.000 |
|