| ## |
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 |
120 |
32 |
14753 |
◊ |
A |
x,y,z |
1_555 |
132 |
34 |
14541 |
1173.5 |
-12.0 |
0.240 |
18 |
1 |
0 |
0.088 |
| 2 |
2 |
|
A |
67 |
15 |
14541 |
x |
A |
-y,x-y+1,z+1/3 |
2_565 |
74 |
21 |
14541 |
606.5 |
1.0 |
0.732 |
9 |
5 |
0 |
0.000 |
| 3 |
3 |
|
B |
68 |
18 |
14753 |
◊ |
B |
-x,-x+y,-z+1/3 |
6_555 |
68 |
18 |
14753 |
534.4 |
-9.9 |
0.102 |
2 |
0 |
0 |
0.022 |
| 4 |
4 |
|
[0VS]A:411 |
32 |
1 |
688 |
f |
A |
x,y,z |
1_555 |
64 |
22 |
14541 |
451.0 |
-12.1 |
0.608 |
7 |
0 |
0 |
0.133 |
5 |
|
[0VS]B:410 |
33 |
1 |
698 |
f |
B |
x,y,z |
1_555 |
66 |
22 |
14753 |
419.2 |
-12.7 |
0.483 |
6 |
0 |
0 |
0.133 |
| Average: |
435.1 |
-12.4 |
0.546 |
7 |
0 |
0 |
0.133 |
| 5 |
6 |
|
B |
53 |
16 |
14753 |
◊ |
A |
-x,-x+y,-z+1/3 |
6_555 |
47 |
13 |
14541 |
436.5 |
-5.0 |
0.247 |
2 |
1 |
0 |
0.025 |
| 6 |
7 |
|
A |
40 |
13 |
14541 |
◊ |
B |
y-1,x,-z+1 |
4_456 |
40 |
13 |
14753 |
381.8 |
-4.1 |
0.323 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[MES]A:408 |
12 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
14541 |
186.5 |
5.8 |
0.316 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
21 |
6 |
14753 |
◊ |
B |
-x,-x+y,-z+4/3 |
6_556 |
21 |
6 |
14753 |
183.9 |
-2.7 |
0.290 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[MES]B:409 |
12 |
1 |
339 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
14753 |
181.8 |
5.8 |
0.262 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[MES]A:410 |
11 |
1 |
335 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
14541 |
170.0 |
4.2 |
0.214 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[SO4]B:402 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14753 |
105.7 |
-16.3 |
0.807 |
6 |
0 |
0 |
0.083 |
| 12 |
13 |
|
[SO4]A:402 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14541 |
101.9 |
-15.7 |
0.845 |
2 |
0 |
0 |
0.072 |
| 13 |
14 |
|
[MES]A:409 |
8 |
1 |
344 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14541 |
97.0 |
1.5 |
0.075 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[SO4]A:403 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14541 |
89.6 |
-12.5 |
0.681 |
2 |
0 |
0 |
0.058 |
| 15 |
16 |
|
[SO4]B:403 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14753 |
88.0 |
-12.0 |
0.620 |
1 |
0 |
0 |
0.054 |
| 16 |
17 |
|
[MES]A:409 |
5 |
1 |
344 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
14753 |
84.3 |
3.9 |
0.612 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[SO4]A:407 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
14541 |
83.2 |
-12.3 |
0.809 |
4 |
0 |
0 |
0.061 |
| 18 |
19 |
|
[SO4]B:405 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
14753 |
80.8 |
-12.2 |
0.782 |
2 |
0 |
0 |
0.057 |
| 19 |
20 |
|
[SO4]B:406 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
14753 |
79.9 |
-11.4 |
0.717 |
0 |
0 |
0 |
0.050 |
| 20 |
21 |
|
[SO4]B:408 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14753 |
77.4 |
-11.8 |
0.637 |
3 |
0 |
0 |
0.057 |
| 21 |
22 |
|
[SO4]A:404 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
14541 |
77.2 |
-10.7 |
0.751 |
0 |
0 |
0 |
0.047 |
| 22 |
23 |
|
[SO4]A:401 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14541 |
75.3 |
-9.5 |
0.919 |
2 |
0 |
0 |
0.045 |
| 23 |
24 |
|
[SO4]B:401 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14753 |
71.5 |
-8.7 |
0.931 |
3 |
0 |
0 |
0.044 |
| 24 |
25 |
|
[SO4]B:407 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14753 |
60.0 |
-6.8 |
0.910 |
2 |
0 |
0 |
0.034 |
| 25 |
26 |
|
[SO4]A:405 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
14541 |
56.3 |
-7.2 |
0.726 |
1 |
0 |
0 |
0.034 |
| 26 |
27 |
|
[SO4]B:404 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
14753 |
56.2 |
-7.5 |
0.697 |
1 |
0 |
0 |
0.035 |
| 27 |
28 |
|
[SO4]A:406 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
14541 |
55.5 |
-6.1 |
0.932 |
0 |
0 |
0 |
0.027 |
| 28 |
29 |
|
[MES]A:408 |
5 |
1 |
329 |
◊ |
B |
y-1,x,-z+1 |
4_456 |
5 |
3 |
14753 |
41.3 |
1.4 |
0.115 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[SO4]A:406 |
4 |
1 |
186 |
f |
[SO4]A:402 |
x,y,z |
1_555 |
4 |
1 |
188 |
31.1 |
-6.8 |
0.998 |
0 |
0 |
0 |
0.030 |
| 30 |
31 |
|
[0VS]B:410 |
2 |
1 |
698 |
f |
[SO4]B:402 |
x,y,z |
1_555 |
3 |
1 |
187 |
24.6 |
-4.0 |
0.554 |
0 |
0 |
0 |
0.017 |
| 31 |
32 |
|
[MES]B:409 |
3 |
1 |
339 |
f |
[SO4]B:407 |
x,y,z |
1_555 |
2 |
1 |
187 |
23.9 |
-2.6 |
0.271 |
0 |
0 |
0 |
0.011 |
| 32 |
33 |
|
[SO4]B:406 |
4 |
1 |
186 |
f |
[SO4]B:403 |
x,y,z |
1_555 |
2 |
1 |
186 |
20.5 |
-4.6 |
0.979 |
0 |
0 |
0 |
0.020 |
| 33 |
34 |
|
[0VS]A:411 |
2 |
1 |
688 |
f |
[MES]A:410 |
x,y,z |
1_555 |
4 |
1 |
335 |
19.7 |
-0.8 |
0.041 |
0 |
0 |
0 |
0.004 |
| 34 |
35 |
|
[0VS]B:410 |
3 |
1 |
698 |
◊ |
B |
-x,-x+y,-z+1/3 |
6_555 |
2 |
1 |
14753 |
19.6 |
-0.6 |
0.376 |
0 |
0 |
0 |
0.003 |
| 35 |
36 |
|
B |
2 |
1 |
14753 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
1 |
1 |
14541 |
18.7 |
-0.3 |
0.282 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[SO4]A:404 |
1 |
1 |
187 |
f |
[SO4]A:403 |
x,y,z |
1_555 |
2 |
1 |
187 |
16.4 |
-3.9 |
0.876 |
0 |
0 |
0 |
0.017 |
| 37 |
38 |
|
[SO4]B:403 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14541 |
11.3 |
-1.5 |
0.587 |
0 |
0 |
0 |
0.007 |
| 38 |
39 |
|
[MES]A:408 |
2 |
1 |
329 |
f |
[SO4]A:406 |
x,y,z |
1_555 |
2 |
1 |
186 |
10.3 |
-0.9 |
0.337 |
0 |
0 |
0 |
0.004 |
| 39 |
40 |
|
A |
1 |
1 |
14541 |
◊ |
[SO4]B:407 |
y-1,x,-z+1 |
4_456 |
1 |
1 |
187 |
8.6 |
-1.2 |
0.434 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[SO4]A:403 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14753 |
4.8 |
-0.7 |
0.627 |
0 |
0 |
0 |
0.003 |
| 41 |
42 |
|
[SO4]A:404 |
1 |
1 |
187 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
2 |
1 |
14541 |
3.5 |
-0.5 |
0.727 |
0 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[SO4]B:406 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14541 |
0.7 |
-0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
|