| ## |
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 |
|
A |
76 |
25 |
8924 |
◊ |
B |
x-1,y,z |
1_455 |
75 |
23 |
8822 |
646.0 |
-7.5 |
0.459 |
2 |
0 |
0 |
0.091 |
| 2 |
2 |
|
B |
51 |
13 |
8822 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
8924 |
464.4 |
-9.7 |
0.123 |
2 |
0 |
0 |
0.013 |
| 3 |
3 |
|
B |
39 |
14 |
8822 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
12 |
8924 |
404.5 |
-3.3 |
0.503 |
2 |
2 |
0 |
0.052 |
| 4 |
4 |
|
A |
35 |
10 |
8924 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
37 |
11 |
8822 |
330.9 |
-6.1 |
0.229 |
3 |
0 |
0 |
0.080 |
| 5 |
5 |
|
[GOL]B:186 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
8822 |
104.3 |
-0.8 |
0.526 |
1 |
0 |
0 |
0.014 |
| 6 |
6 |
|
[GOL]A:189 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8924 |
103.2 |
0.3 |
0.677 |
3 |
0 |
0 |
0.012 |
| 7 |
7 |
|
[NAG]A:201 |
11 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
11 |
5 |
8924 |
99.7 |
3.4 |
0.425 |
1 |
0 |
0 |
0.000 |
8 |
|
[NAG]B:188 |
10 |
1 |
355 |
cf |
B |
x,y,z |
1_555 |
11 |
5 |
8822 |
99.2 |
3.4 |
0.484 |
1 |
0 |
0 |
0.000 |
| Average: |
99.5 |
3.4 |
0.455 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[GOL]B:187 |
5 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8822 |
93.7 |
0.2 |
0.636 |
2 |
0 |
0 |
0.008 |
| 9 |
10 |
|
[GOL]A:190 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
8924 |
87.0 |
0.8 |
0.721 |
3 |
0 |
0 |
0.006 |
| 10 |
11 |
|
A |
13 |
5 |
8924 |
◊ |
[GOL]B:187 |
x-1,y,z |
1_455 |
6 |
1 |
221 |
86.3 |
-0.2 |
0.605 |
1 |
0 |
0 |
0.007 |
| 11 |
12 |
|
[SO4]A:194 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8924 |
86.0 |
-12.7 |
0.833 |
2 |
0 |
0 |
0.157 |
| 12 |
13 |
|
[SO4]B:191 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
8822 |
81.8 |
-12.3 |
0.797 |
4 |
0 |
0 |
0.163 |
| 13 |
14 |
|
[SO4]B:192 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
8822 |
78.7 |
-11.0 |
0.833 |
3 |
0 |
0 |
0.142 |
| 14 |
15 |
|
[SO4]A:193 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8924 |
71.4 |
-10.6 |
0.636 |
2 |
0 |
0 |
0.133 |
| 15 |
16 |
|
[NH4]A:188 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
8924 |
71.2 |
0.8 |
0.796 |
0 |
0 |
0 |
0.000 |
17 |
|
[NH4]B:185 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
8822 |
68.7 |
0.8 |
0.819 |
0 |
0 |
0 |
0.000 |
| Average: |
70.0 |
0.8 |
0.808 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[SO4]A:191 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
8924 |
70.8 |
-8.9 |
0.906 |
2 |
0 |
0 |
0.113 |
| 17 |
19 |
|
[SO4]A:192 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8924 |
70.4 |
-9.1 |
0.836 |
4 |
0 |
0 |
0.126 |
| 18 |
20 |
|
[NAG]A:202 |
9 |
1 |
363 |
cf |
[NAG]A:201 |
x,y,z |
1_555 |
6 |
1 |
355 |
68.0 |
1.4 |
0.083 |
0 |
0 |
0 |
0.000 |
21 |
|
[NAG]B:189 |
10 |
1 |
366 |
cf |
[NAG]B:188 |
x,y,z |
1_555 |
7 |
1 |
355 |
66.7 |
1.3 |
0.072 |
0 |
0 |
0 |
0.000 |
| Average: |
67.4 |
1.3 |
0.078 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[FUC]B:190 |
7 |
1 |
278 |
cf |
[NAG]B:188 |
x,y,z |
1_555 |
9 |
1 |
355 |
66.9 |
2.3 |
0.115 |
0 |
0 |
0 |
0.000 |
23 |
|
[FUC]A:203 |
7 |
1 |
278 |
cf |
[NAG]A:201 |
x,y,z |
1_555 |
9 |
1 |
355 |
66.2 |
2.4 |
0.108 |
0 |
0 |
0 |
0.000 |
| Average: |
66.6 |
2.4 |
0.111 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[SO4]A:195 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8924 |
66.6 |
-9.5 |
0.629 |
1 |
0 |
0 |
0.115 |
| 21 |
25 |
|
[FUC]A:203 |
7 |
1 |
278 |
f |
[NAG]A:202 |
x,y,z |
1_555 |
8 |
1 |
363 |
61.9 |
2.8 |
0.139 |
0 |
0 |
0 |
0.000 |
26 |
|
[FUC]B:190 |
8 |
1 |
278 |
f |
[NAG]B:189 |
x,y,z |
1_555 |
8 |
1 |
366 |
60.2 |
2.6 |
0.117 |
0 |
0 |
0 |
0.000 |
| Average: |
61.1 |
2.7 |
0.128 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[CO]A:185 |
1 |
1 |
125 |
f |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
8 |
3 |
8822 |
59.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.096 |
| 23 |
28 |
|
[SO4]A:191 |
5 |
1 |
185 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
7 |
3 |
8822 |
57.9 |
-7.5 |
0.703 |
1 |
0 |
0 |
0.085 |
| 24 |
29 |
|
B |
6 |
3 |
8822 |
◊ |
[SO4]A:192 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
186 |
55.6 |
-7.9 |
0.607 |
2 |
0 |
0 |
0.102 |
| 25 |
30 |
|
[NH4]A:187 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
8924 |
51.7 |
0.5 |
0.705 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[FUC]A:203 |
4 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
8924 |
48.0 |
1.4 |
0.535 |
1 |
0 |
0 |
0.000 |
32 |
|
[FUC]B:190 |
2 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
8822 |
21.4 |
0.7 |
0.484 |
0 |
0 |
0 |
0.000 |
| Average: |
34.7 |
1.1 |
0.509 |
1 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[CO]A:186 |
1 |
1 |
125 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
8822 |
45.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.129 |
34 |
|
[CO]A:186 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
8924 |
45.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.129 |
| Average: |
45.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.129 |
| 28 |
35 |
|
[NAG]B:189 |
4 |
1 |
366 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
2 |
8924 |
43.2 |
0.6 |
0.361 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
[CO]A:185 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8924 |
41.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.049 |
| 30 |
37 |
|
[GOL]A:189 |
2 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8822 |
20.3 |
-0.3 |
0.446 |
0 |
0 |
0 |
0.000 |
| 31 |
38 |
|
A |
5 |
2 |
8924 |
f |
[NH4]B:185 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
18.7 |
0.0 |
0.727 |
0 |
0 |
0 |
0.000 |
39 |
|
[NH4]A:188 |
1 |
1 |
117 |
f |
B |
x-1,y,z |
1_455 |
4 |
2 |
8822 |
8.0 |
-0.0 |
0.764 |
0 |
0 |
0 |
0.000 |
| Average: |
13.4 |
0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
B |
1 |
1 |
8822 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
8822 |
14.0 |
0.0 |
0.421 |
0 |
0 |
0 |
0.000 |
| 33 |
41 |
|
[FUC]B:190 |
1 |
1 |
278 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
8924 |
7.0 |
-0.3 |
0.246 |
0 |
0 |
0 |
0.003 |
| 34 |
42 |
|
[FUC]B:190 |
1 |
1 |
278 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
2 |
8924 |
1.2 |
0.1 |
0.363 |
0 |
0 |
0 |
0.000 |
|