## |
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 |
165 |
48 |
17700 |
◊ |
A |
x,y,z |
1_555 |
162 |
48 |
17735 |
1623.5 |
-32.1 |
0.000 |
16 |
0 |
0 |
0.183 |
2 |
2 |
|
B |
89 |
26 |
17700 |
◊ |
B |
y,x,-z+2/3 |
7_555 |
88 |
26 |
17700 |
902.0 |
-7.0 |
0.293 |
7 |
2 |
0 |
0.062 |
3 |
3 |
|
B |
58 |
20 |
17700 |
◊ |
A |
x,x-y+1,-z+1/3 |
12_565 |
60 |
24 |
17735 |
491.6 |
-0.7 |
0.629 |
3 |
2 |
0 |
0.000 |
4 |
4 |
|
A |
45 |
16 |
17735 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
45 |
16 |
17735 |
446.8 |
-4.8 |
0.191 |
4 |
0 |
0 |
0.037 |
5 |
5 |
|
B |
27 |
9 |
17700 |
◊ |
A |
-y+1,-x+1,-z+2/3 |
10_665 |
33 |
12 |
17735 |
301.5 |
-3.9 |
0.196 |
2 |
0 |
0 |
0.022 |
6 |
6 |
|
[DF4]B:611 |
20 |
1 |
460 |
f |
B |
x,y,z |
1_555 |
45 |
19 |
17700 |
230.6 |
0.6 |
0.579 |
11 |
0 |
0 |
0.051 |
7 |
7 |
|
[FSI]B:610 |
19 |
1 |
454 |
cf |
B |
x,y,z |
1_555 |
42 |
17 |
17700 |
225.8 |
0.7 |
0.583 |
11 |
0 |
0 |
0.050 |
8 |
|
[FSI]A:609 |
20 |
1 |
455 |
cf |
A |
x,y,z |
1_555 |
43 |
19 |
17735 |
213.7 |
0.6 |
0.590 |
10 |
0 |
0 |
0.050 |
Average: |
219.8 |
0.7 |
0.586 |
11 |
0 |
0 |
0.050 |
8 |
9 |
|
[SFJ]B:612 |
15 |
1 |
469 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
17700 |
220.5 |
1.3 |
0.642 |
4 |
0 |
0 |
0.000 |
9 |
10 |
|
[DF4]A:610 |
20 |
1 |
464 |
f |
A |
x,y,z |
1_555 |
43 |
19 |
17735 |
218.5 |
0.9 |
0.625 |
9 |
0 |
0 |
0.034 |
10 |
11 |
|
[SFJ]A:612 |
20 |
1 |
462 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
17735 |
215.7 |
1.0 |
0.547 |
6 |
0 |
0 |
0.018 |
11 |
12 |
|
B |
19 |
5 |
17700 |
◊ |
A |
y,x,-z+2/3 |
7_555 |
19 |
7 |
17735 |
179.1 |
1.6 |
0.812 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[DF4]B:611 |
21 |
1 |
460 |
f |
[FSI]B:610 |
x,y,z |
1_555 |
20 |
1 |
454 |
174.8 |
0.3 |
0.446 |
1 |
0 |
0 |
0.002 |
13 |
14 |
|
[SFJ]A:611 |
14 |
1 |
459 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
17735 |
166.9 |
2.5 |
0.695 |
8 |
0 |
0 |
0.011 |
14 |
15 |
|
[DF4]A:610 |
21 |
1 |
464 |
f |
[FSI]A:609 |
x,y,z |
1_555 |
21 |
1 |
455 |
158.7 |
0.8 |
0.479 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
A |
19 |
6 |
17735 |
◊ |
A |
y,x,-z-1/3 |
7_554 |
19 |
6 |
17735 |
157.6 |
-0.7 |
0.533 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[NAG]B:603 |
14 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
19 |
8 |
17700 |
132.4 |
3.2 |
0.253 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[NAG]B:602 |
9 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
17 |
7 |
17700 |
125.9 |
3.8 |
0.530 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
[NAG]A:601 |
9 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
17 |
7 |
17735 |
118.0 |
3.0 |
0.467 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[NAG]A:602 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
12 |
3 |
17735 |
113.3 |
2.7 |
0.297 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[SFJ]B:612 |
10 |
1 |
469 |
f |
A |
x,x-y+1,-z+1/3 |
12_565 |
13 |
4 |
17735 |
110.8 |
-0.7 |
0.327 |
2 |
0 |
0 |
0.018 |
21 |
22 |
|
[FUC]B:609 |
7 |
1 |
284 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
17735 |
108.5 |
1.6 |
0.381 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[NAG]A:606 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
9 |
4 |
17735 |
107.8 |
2.5 |
0.356 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
[SFJ]A:611 |
9 |
1 |
459 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
10 |
4 |
17735 |
98.1 |
-1.3 |
0.231 |
0 |
0 |
0 |
0.014 |
24 |
25 |
|
[NAG]B:607 |
11 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
9 |
3 |
17700 |
92.7 |
2.1 |
0.286 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[SO4]B:613 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
17700 |
88.9 |
-11.2 |
0.883 |
3 |
0 |
0 |
0.150 |
26 |
27 |
|
[SO4]A:613 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17735 |
87.2 |
-10.7 |
0.888 |
4 |
0 |
0 |
0.140 |
27 |
28 |
|
[SO4]B:618 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
17700 |
87.1 |
-13.5 |
0.477 |
3 |
0 |
0 |
0.178 |
28 |
29 |
|
[BMA]A:605 |
6 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17735 |
82.7 |
-0.1 |
0.210 |
1 |
0 |
0 |
0.006 |
29 |
30 |
|
[NAG]A:607 |
10 |
1 |
366 |
cf |
[NAG]A:606 |
x,y,z |
1_555 |
8 |
1 |
361 |
81.9 |
2.7 |
0.130 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[SO4]A:617 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17735 |
79.2 |
-12.0 |
0.690 |
4 |
0 |
0 |
0.155 |
31 |
32 |
|
[NAG]B:604 |
9 |
1 |
364 |
cf |
[NAG]B:603 |
x,y,z |
1_555 |
7 |
1 |
363 |
78.5 |
1.4 |
0.070 |
1 |
0 |
0 |
0.000 |
32 |
33 |
|
[FUC]A:608 |
9 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
17700 |
74.9 |
0.7 |
0.231 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[SO4]B:601 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
17700 |
74.4 |
-11.1 |
0.622 |
3 |
0 |
0 |
0.149 |
34 |
35 |
|
[SO4]B:614 |
4 |
1 |
187 |
f |
A |
y,x,-z+2/3 |
7_555 |
10 |
4 |
17735 |
74.0 |
-9.9 |
0.778 |
2 |
0 |
0 |
0.121 |
35 |
36 |
|
[NAG]A:603 |
10 |
1 |
356 |
f |
A |
x,y,z |
1_555 |
11 |
2 |
17735 |
74.0 |
0.3 |
0.115 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[SO4]B:601 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
17735 |
71.5 |
-10.9 |
0.642 |
3 |
0 |
0 |
0.057 |
37 |
38 |
|
[SO4]B:617 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
17700 |
71.2 |
-9.9 |
0.637 |
2 |
0 |
0 |
0.130 |
38 |
39 |
|
[SO4]B:615 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17700 |
70.0 |
-9.2 |
0.767 |
2 |
0 |
0 |
0.121 |
39 |
40 |
|
B |
7 |
3 |
17700 |
◊ |
B |
-y+1,-x+1,-z+2/3 |
10_665 |
7 |
3 |
17700 |
69.6 |
-0.4 |
0.514 |
0 |
0 |
0 |
0.000 |
40 |
41 |
|
[NAG]A:603 |
9 |
1 |
356 |
cf |
[NAG]A:602 |
x,y,z |
1_555 |
6 |
1 |
359 |
67.9 |
1.9 |
0.091 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
[NAG]B:608 |
9 |
1 |
366 |
cf |
[NAG]B:607 |
x,y,z |
1_555 |
7 |
1 |
360 |
67.3 |
1.1 |
0.071 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
[NAG]B:604 |
8 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
10 |
1 |
17700 |
66.4 |
0.4 |
0.174 |
0 |
0 |
0 |
0.000 |
43 |
44 |
|
[NAG]B:608 |
7 |
1 |
366 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17735 |
66.2 |
1.9 |
0.413 |
0 |
0 |
0 |
0.000 |
44 |
45 |
|
[SO4]A:614 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
17700 |
66.0 |
-8.9 |
0.664 |
2 |
0 |
0 |
0.117 |
45 |
46 |
|
[BMA]B:605 |
7 |
1 |
295 |
cf |
[NAG]B:604 |
x,y,z |
1_555 |
5 |
1 |
364 |
65.6 |
1.5 |
0.154 |
0 |
0 |
0 |
0.000 |
46 |
47 |
|
[SO4]B:616 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
17700 |
65.2 |
-8.7 |
0.846 |
3 |
0 |
0 |
0.120 |
47 |
48 |
|
[SO4]A:616 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
17735 |
64.9 |
-8.8 |
0.673 |
1 |
0 |
0 |
0.104 |
48 |
49 |
|
[SO4]A:618 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
17735 |
62.9 |
-8.1 |
0.848 |
1 |
0 |
0 |
0.097 |
49 |
50 |
|
[BMA]B:606 |
5 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
17700 |
62.1 |
-0.3 |
0.168 |
1 |
0 |
0 |
0.009 |
50 |
51 |
|
[SO4]A:616 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
17700 |
61.8 |
-7.6 |
0.934 |
3 |
0 |
0 |
0.042 |
51 |
52 |
|
[NAG]A:607 |
8 |
1 |
366 |
◊ |
[NAG]A:607 |
x,x-y+1,-z+1/3 |
12_565 |
8 |
1 |
366 |
61.7 |
2.1 |
0.103 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
[SO4]A:615 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
17735 |
61.3 |
-8.3 |
0.727 |
4 |
0 |
0 |
0.113 |
53 |
54 |
|
[SO4]A:614 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
17735 |
60.7 |
-8.4 |
0.787 |
1 |
0 |
0 |
0.041 |
54 |
55 |
|
[BMA]B:606 |
5 |
1 |
295 |
cf |
[BMA]B:605 |
x,y,z |
1_555 |
5 |
1 |
295 |
60.4 |
2.3 |
0.313 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
[BMA]A:604 |
7 |
1 |
290 |
cf |
[NAG]A:603 |
x,y,z |
1_555 |
5 |
1 |
356 |
59.9 |
1.0 |
0.102 |
0 |
0 |
0 |
0.000 |
56 |
57 |
|
[NAG]A:607 |
7 |
1 |
366 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
17700 |
59.9 |
0.3 |
0.218 |
0 |
0 |
0 |
0.000 |
57 |
58 |
|
[FUC]B:609 |
5 |
1 |
284 |
cf |
[NAG]B:607 |
x,y,z |
1_555 |
4 |
1 |
360 |
58.6 |
2.7 |
0.388 |
0 |
0 |
0 |
0.000 |
58 |
59 |
|
[SO4]B:615 |
5 |
1 |
186 |
◊ |
B |
y,x,-z+2/3 |
7_555 |
9 |
3 |
17700 |
57.9 |
-7.3 |
0.630 |
0 |
0 |
0 |
0.088 |
59 |
60 |
|
[BMA]A:605 |
6 |
1 |
293 |
cf |
[BMA]A:604 |
x,y,z |
1_555 |
5 |
1 |
290 |
55.0 |
2.2 |
0.241 |
0 |
0 |
0 |
0.000 |
60 |
61 |
|
[NAG]A:606 |
9 |
1 |
361 |
◊ |
B |
x,x-y+1,-z+1/3 |
12_565 |
7 |
2 |
17700 |
51.7 |
1.3 |
0.278 |
1 |
0 |
0 |
0.000 |
61 |
62 |
|
[SO4]B:614 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
17700 |
50.3 |
-6.6 |
0.615 |
1 |
0 |
0 |
0.030 |
62 |
63 |
|
[FUC]A:608 |
5 |
1 |
281 |
cf |
[NAG]A:606 |
x,y,z |
1_555 |
5 |
1 |
361 |
48.1 |
1.7 |
0.277 |
0 |
0 |
0 |
0.000 |
63 |
64 |
|
[SFJ]A:612 |
9 |
1 |
462 |
f |
[DF4]A:610 |
x,y,z |
1_555 |
4 |
1 |
464 |
46.7 |
-1.7 |
0.173 |
0 |
0 |
0 |
0.019 |
64 |
65 |
|
[FUC]B:609 |
3 |
1 |
284 |
f |
[NAG]B:608 |
x,y,z |
1_555 |
8 |
1 |
366 |
42.7 |
2.3 |
0.200 |
0 |
0 |
0 |
0.000 |
65 |
66 |
|
[FUC]A:608 |
6 |
1 |
281 |
f |
[NAG]A:607 |
x,y,z |
1_555 |
5 |
1 |
366 |
42.6 |
2.0 |
0.227 |
0 |
0 |
0 |
0.000 |
66 |
67 |
|
[CA]A:619 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
17735 |
42.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.143 |
67 |
68 |
|
[NAG]B:608 |
3 |
1 |
366 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
17700 |
41.4 |
1.3 |
0.632 |
0 |
0 |
0 |
0.000 |
68 |
69 |
|
[SO4]A:618 |
4 |
1 |
187 |
f |
[SFJ]A:611 |
x,y,z |
1_555 |
4 |
1 |
459 |
40.5 |
-4.5 |
0.585 |
1 |
0 |
0 |
0.056 |
69 |
70 |
|
[FUC]B:609 |
4 |
1 |
284 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
17700 |
40.4 |
0.4 |
0.131 |
0 |
0 |
0 |
0.000 |
70 |
71 |
|
[FUC]A:608 |
5 |
1 |
281 |
◊ |
[FUC]A:608 |
x,x-y+1,-z+1/3 |
12_565 |
5 |
1 |
281 |
39.4 |
1.0 |
0.142 |
0 |
0 |
0 |
0.000 |
71 |
72 |
|
[BMA]A:604 |
4 |
1 |
290 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
17735 |
39.1 |
0.4 |
0.272 |
0 |
0 |
0 |
0.000 |
72 |
73 |
|
[FUC]A:608 |
5 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
17735 |
39.0 |
0.2 |
0.141 |
0 |
0 |
0 |
0.000 |
73 |
74 |
|
[SO4]A:618 |
3 |
1 |
187 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
4 |
2 |
17735 |
37.3 |
-4.8 |
0.758 |
2 |
0 |
0 |
0.064 |
74 |
75 |
|
[NAG]A:607 |
5 |
1 |
366 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
17735 |
34.6 |
0.5 |
0.209 |
0 |
0 |
0 |
0.000 |
75 |
76 |
|
[SO4]A:615 |
4 |
1 |
186 |
f |
[BMA]A:605 |
x,y,z |
1_555 |
3 |
1 |
293 |
33.5 |
-2.7 |
0.573 |
0 |
0 |
0 |
0.031 |
76 |
77 |
|
[SFJ]A:612 |
8 |
1 |
462 |
f |
[FSI]A:609 |
x,y,z |
1_555 |
4 |
1 |
455 |
33.0 |
-1.3 |
0.199 |
0 |
0 |
0 |
0.015 |
77 |
78 |
|
[SO4]B:617 |
3 |
1 |
187 |
f |
[NAG]B:607 |
x,y,z |
1_555 |
5 |
1 |
360 |
31.9 |
-2.6 |
0.493 |
0 |
0 |
0 |
0.031 |
78 |
79 |
|
[NAG]A:607 |
5 |
1 |
366 |
◊ |
B |
x,x-y+1,-z+1/3 |
12_565 |
4 |
1 |
17700 |
31.1 |
0.6 |
0.331 |
0 |
0 |
0 |
0.000 |
79 |
80 |
|
[FUC]A:608 |
3 |
1 |
281 |
◊ |
[NAG]A:606 |
x,x-y+1,-z+1/3 |
12_565 |
5 |
1 |
361 |
29.6 |
1.4 |
0.338 |
0 |
0 |
0 |
0.000 |
80 |
81 |
|
[BMA]B:606 |
3 |
1 |
295 |
f |
[NAG]B:604 |
x,y,z |
1_555 |
3 |
1 |
364 |
27.3 |
0.1 |
0.143 |
0 |
0 |
0 |
0.000 |
81 |
82 |
|
[NAG]A:607 |
2 |
1 |
366 |
◊ |
[NAG]A:606 |
x,x-y+1,-z+1/3 |
12_565 |
5 |
1 |
361 |
25.9 |
0.8 |
0.242 |
0 |
0 |
0 |
0.000 |
82 |
83 |
|
[SO4]A:616 |
4 |
1 |
187 |
◊ |
B |
-y+1,-x+1,-z+2/3 |
10_665 |
2 |
1 |
17700 |
24.0 |
-2.4 |
0.903 |
1 |
0 |
0 |
0.013 |
83 |
84 |
|
[BMA]B:605 |
4 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
17700 |
21.6 |
-0.2 |
0.208 |
0 |
0 |
0 |
0.003 |
84 |
85 |
|
[NAG]A:606 |
2 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17700 |
20.6 |
0.7 |
0.587 |
0 |
0 |
0 |
0.000 |
85 |
86 |
|
[NAG]B:607 |
1 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
17735 |
18.9 |
0.3 |
0.490 |
1 |
0 |
0 |
0.000 |
86 |
87 |
|
[FUC]A:608 |
4 |
1 |
281 |
◊ |
[NAG]A:607 |
x,x-y+1,-z+1/3 |
12_565 |
3 |
1 |
366 |
18.8 |
0.5 |
0.179 |
0 |
0 |
0 |
0.000 |
87 |
88 |
|
[BMA]A:605 |
3 |
1 |
293 |
f |
[NAG]A:603 |
x,y,z |
1_555 |
1 |
1 |
356 |
9.5 |
-0.0 |
0.197 |
0 |
0 |
0 |
0.000 |
88 |
89 |
|
[SO4]B:614 |
2 |
1 |
187 |
◊ |
B |
y,x,-z+2/3 |
7_555 |
1 |
1 |
17700 |
8.0 |
-0.5 |
0.959 |
0 |
0 |
0 |
0.002 |
89 |
90 |
|
[SO4]B:616 |
1 |
1 |
187 |
◊ |
[BMA]A:604 |
x,x-y+1,-z+1/3 |
12_565 |
1 |
1 |
290 |
2.2 |
-0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
90 |
91 |
|
[SO4]B:616 |
1 |
1 |
187 |
◊ |
A |
x,x-y+1,-z+1/3 |
12_565 |
1 |
1 |
17735 |
1.7 |
-0.2 |
0.835 |
0 |
0 |
0 |
0.000 |
91 |
92 |
|
B |
1 |
1 |
17700 |
◊ |
B |
x,x-y+1,-z+1/3 |
12_565 |
1 |
1 |
17700 |
0.1 |
0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
|