## |
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 |
|
C |
117 |
31 |
8829 |
◊ |
B |
x,y,z |
1_555 |
115 |
29 |
8919 |
1172.1 |
-14.0 |
0.053 |
8 |
8 |
0 |
0.256 |
2 |
|
D |
115 |
27 |
8554 |
◊ |
A |
x,y,z |
1_555 |
107 |
27 |
8772 |
1094.0 |
-11.3 |
0.087 |
9 |
9 |
0 |
0.256 |
Average: |
1133.1 |
-12.6 |
0.070 |
9 |
9 |
0 |
0.256 |
2 |
3 |
|
D |
50 |
15 |
8554 |
◊ |
A |
-x+1,-y+1,z |
7_554 |
54 |
12 |
8772 |
502.8 |
-5.5 |
0.159 |
10 |
0 |
0 |
0.126 |
3 |
4 |
|
B |
49 |
15 |
8919 |
x |
B |
-y+1,x+1/2,z+1/4 |
2_655 |
49 |
11 |
8919 |
460.3 |
-5.1 |
0.193 |
7 |
0 |
0 |
0.000 |
5 |
|
C |
50 |
11 |
8829 |
x |
C |
-y+1,x+1/2,z+1/4 |
2_655 |
52 |
15 |
8829 |
455.5 |
-7.1 |
0.115 |
5 |
0 |
0 |
0.000 |
Average: |
457.9 |
-6.1 |
0.154 |
6 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
37 |
13 |
8554 |
◊ |
D |
-x+1,-y+1,z |
7_554 |
37 |
13 |
8554 |
349.2 |
-4.4 |
0.187 |
4 |
0 |
0 |
0.039 |
5 |
7 |
|
C |
32 |
11 |
8829 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
8772 |
331.3 |
1.0 |
0.649 |
7 |
2 |
0 |
0.016 |
6 |
8 |
|
D |
36 |
12 |
8554 |
◊ |
A |
-y+3/2,x,z-1/4 |
6_644 |
35 |
11 |
8772 |
310.4 |
-0.0 |
0.528 |
6 |
1 |
0 |
0.000 |
7 |
9 |
|
D |
29 |
9 |
8554 |
◊ |
C |
-y+3/2,x,z-1/4 |
6_644 |
38 |
12 |
8829 |
306.5 |
-1.1 |
0.477 |
3 |
1 |
0 |
0.017 |
8 |
10 |
|
B |
17 |
8 |
8919 |
◊ |
C |
-y+1,x+1/2,z+1/4 |
2_655 |
20 |
9 |
8829 |
192.3 |
-0.7 |
0.461 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
[NAG]D:651 |
12 |
1 |
353 |
cf |
D |
x,y,z |
1_555 |
12 |
5 |
8554 |
112.0 |
3.4 |
0.357 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[SO4]B:291 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
8919 |
110.6 |
-15.7 |
0.778 |
3 |
0 |
0 |
0.200 |
11 |
13 |
|
[NAG]A:651 |
10 |
1 |
342 |
cf |
A |
x,y,z |
1_555 |
16 |
6 |
8772 |
109.4 |
2.9 |
0.360 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[SO4]D:293 |
5 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
8554 |
104.3 |
-15.5 |
0.738 |
5 |
0 |
0 |
0.272 |
15 |
|
[SO4]C:292 |
5 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
8829 |
102.4 |
-15.6 |
0.776 |
6 |
0 |
0 |
0.272 |
Average: |
103.4 |
-15.5 |
0.757 |
6 |
0 |
0 |
0.272 |
13 |
16 |
|
[NAG]C:651 |
10 |
1 |
339 |
cf |
C |
x,y,z |
1_555 |
16 |
5 |
8829 |
104.1 |
3.0 |
0.344 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[NAG]B:651 |
9 |
1 |
354 |
cf |
B |
x,y,z |
1_555 |
16 |
6 |
8919 |
103.7 |
2.0 |
0.319 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[SO4]A:290 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
8772 |
102.3 |
-15.3 |
0.748 |
5 |
0 |
0 |
0.269 |
16 |
19 |
|
[SO4]B:295 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8919 |
84.1 |
-11.1 |
0.897 |
4 |
0 |
0 |
0.151 |
17 |
20 |
|
[SO4]C:296 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
8829 |
82.8 |
-11.0 |
0.824 |
4 |
0 |
0 |
0.150 |
18 |
21 |
|
[SO4]D:297 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
8554 |
81.5 |
-9.8 |
0.910 |
3 |
0 |
0 |
0.172 |
19 |
22 |
|
[NAG]D:652 |
9 |
1 |
359 |
cf |
[NAG]D:651 |
x,y,z |
1_555 |
6 |
1 |
353 |
75.4 |
2.1 |
0.136 |
1 |
0 |
0 |
0.000 |
20 |
23 |
|
[SO4]A:294 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8772 |
75.0 |
-8.8 |
0.855 |
3 |
0 |
0 |
0.155 |
21 |
24 |
|
[NAG]C:652 |
8 |
1 |
347 |
cf |
[NAG]C:651 |
x,y,z |
1_555 |
7 |
1 |
339 |
73.2 |
1.6 |
0.086 |
1 |
0 |
0 |
0.000 |
22 |
25 |
|
[FUC]A:653 |
5 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8772 |
69.1 |
1.8 |
0.410 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[NAG]A:652 |
9 |
1 |
356 |
cf |
[NAG]A:651 |
x,y,z |
1_555 |
6 |
1 |
342 |
68.5 |
1.7 |
0.078 |
1 |
0 |
0 |
0.000 |
24 |
27 |
|
[FUC]C:653 |
6 |
1 |
278 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
8829 |
68.4 |
1.9 |
0.420 |
0 |
0 |
0 |
0.000 |
28 |
|
[FUC]D:653 |
5 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
8554 |
64.1 |
1.6 |
0.422 |
0 |
0 |
0 |
0.000 |
Average: |
66.3 |
1.7 |
0.421 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[SO4]C:298 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
8829 |
66.7 |
-7.4 |
0.935 |
4 |
0 |
0 |
0.108 |
26 |
30 |
|
[SO4]C:301 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
8829 |
64.0 |
-7.1 |
0.915 |
3 |
0 |
0 |
0.100 |
27 |
31 |
|
[SO4]D:300 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
8554 |
60.3 |
-7.0 |
0.907 |
3 |
0 |
0 |
0.128 |
28 |
32 |
|
[SO4]A:299 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
8772 |
59.6 |
-6.4 |
0.912 |
1 |
0 |
0 |
0.106 |
29 |
33 |
|
[FUC]A:653 |
6 |
1 |
278 |
cf |
[NAG]A:651 |
x,y,z |
1_555 |
5 |
1 |
342 |
55.5 |
2.1 |
0.192 |
0 |
0 |
0 |
0.000 |
34 |
|
[FUC]C:653 |
6 |
1 |
278 |
cf |
[NAG]C:651 |
x,y,z |
1_555 |
4 |
1 |
339 |
51.2 |
2.0 |
0.211 |
0 |
0 |
0 |
0.000 |
Average: |
53.4 |
2.1 |
0.202 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[FUC]D:653 |
6 |
1 |
280 |
cf |
[NAG]D:651 |
x,y,z |
1_555 |
5 |
1 |
353 |
53.6 |
2.2 |
0.198 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[FUC]D:653 |
4 |
1 |
280 |
f |
[NAG]D:652 |
x,y,z |
1_555 |
6 |
1 |
359 |
51.6 |
1.9 |
0.203 |
0 |
0 |
0 |
0.000 |
37 |
|
[FUC]A:653 |
2 |
1 |
278 |
f |
[NAG]A:652 |
x,y,z |
1_555 |
7 |
1 |
356 |
41.1 |
1.9 |
0.247 |
0 |
0 |
0 |
0.000 |
Average: |
46.4 |
1.9 |
0.225 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[FUC]C:653 |
4 |
1 |
278 |
f |
[NAG]C:652 |
x,y,z |
1_555 |
6 |
1 |
347 |
47.5 |
1.6 |
0.181 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[NAG]D:652 |
3 |
1 |
359 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
8554 |
46.8 |
1.6 |
0.599 |
1 |
0 |
0 |
0.000 |
34 |
40 |
|
[NAG]A:652 |
4 |
1 |
356 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
8772 |
44.3 |
1.3 |
0.430 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[NAG]D:651 |
3 |
1 |
353 |
◊ |
A |
-y+3/2,x,z-1/4 |
6_644 |
6 |
2 |
8772 |
43.3 |
1.1 |
0.559 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[NAG]C:652 |
5 |
1 |
347 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
8829 |
28.7 |
0.6 |
0.345 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[FUC]C:653 |
2 |
1 |
278 |
◊ |
[FUC]A:653 |
-y+1,x+1/2,z+1/4 |
2_655 |
3 |
1 |
278 |
27.2 |
0.8 |
0.294 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[NAG]A:651 |
4 |
1 |
342 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8829 |
21.1 |
0.3 |
0.346 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
D |
2 |
2 |
8554 |
◊ |
[NAG]C:651 |
-y+3/2,x,z-1/4 |
6_644 |
3 |
1 |
339 |
15.7 |
0.2 |
0.331 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[SO4]D:297 |
1 |
1 |
185 |
◊ |
A |
-x+1,-y+1,z |
7_554 |
1 |
1 |
8772 |
7.7 |
-0.6 |
0.847 |
0 |
0 |
0 |
0.008 |
41 |
47 |
|
[SO4]B:295 |
1 |
1 |
187 |
◊ |
B |
-y+1,x+1/2,z+1/4 |
2_655 |
2 |
2 |
8919 |
6.1 |
-0.8 |
0.656 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[NAG]D:651 |
1 |
1 |
353 |
◊ |
[SO4]A:290 |
-y+3/2,x,z-1/4 |
6_644 |
1 |
1 |
182 |
2.8 |
-0.2 |
0.598 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
C |
1 |
1 |
8829 |
◊ |
[SO4]C:296 |
-y+1,x+1/2,z+1/4 |
2_655 |
1 |
1 |
185 |
0.2 |
-0.0 |
0.808 |
0 |
0 |
0 |
0.000 |
|