| ## |
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 |
|
M |
112 |
28 |
18371 |
◊ |
M |
-x+1,y,-z+3/2 |
3_656 |
111 |
28 |
18371 |
946.6 |
-4.9 |
0.375 |
14 |
8 |
0 |
0.058 |
| 2 |
2 |
|
M |
75 |
25 |
18371 |
◊ |
M |
x,-y+2,-z+1 |
4_576 |
75 |
25 |
18371 |
652.9 |
-7.5 |
0.122 |
2 |
0 |
0 |
0.000 |
| 3 |
3 |
|
M |
29 |
8 |
18371 |
x |
M |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
31 |
8 |
18371 |
266.8 |
-1.6 |
0.413 |
0 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[NAG]M:901 |
13 |
1 |
363 |
cf |
M |
x,y,z |
1_555 |
22 |
7 |
18371 |
155.6 |
3.8 |
0.368 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[GOL]M:1512 |
6 |
1 |
216 |
f |
M |
x,y,z |
1_555 |
28 |
11 |
18371 |
141.0 |
-0.5 |
0.501 |
4 |
0 |
0 |
0.021 |
| 6 |
6 |
|
[GOL]M:1515 |
6 |
1 |
220 |
f |
M |
x,y,z |
1_555 |
25 |
11 |
18371 |
135.4 |
-0.9 |
0.437 |
6 |
0 |
0 |
0.034 |
| 7 |
7 |
|
[NAG]M:921 |
10 |
1 |
357 |
cf |
M |
x,y,z |
1_555 |
19 |
8 |
18371 |
130.7 |
3.4 |
0.419 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[NAG]M:941 |
11 |
1 |
359 |
cf |
M |
x,y,z |
1_555 |
15 |
5 |
18371 |
125.9 |
3.3 |
0.420 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[GOL]M:1511 |
6 |
1 |
218 |
f |
M |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
18 |
9 |
18371 |
120.8 |
0.9 |
0.698 |
5 |
0 |
0 |
0.012 |
| 10 |
10 |
|
[NAG]M:931 |
8 |
1 |
363 |
cf |
M |
x,y,z |
1_555 |
12 |
6 |
18371 |
116.9 |
4.7 |
0.682 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[NAG]M:961 |
9 |
1 |
361 |
cf |
M |
x,y,z |
1_555 |
12 |
6 |
18371 |
106.3 |
1.6 |
0.276 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[NAG]M:951 |
11 |
1 |
363 |
cf |
M |
x,y,z |
1_555 |
19 |
8 |
18371 |
105.6 |
1.8 |
0.236 |
1 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[SO4]M:1510 |
5 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
16 |
9 |
18371 |
103.7 |
-12.2 |
0.936 |
2 |
0 |
0 |
0.123 |
| 14 |
14 |
|
[NAG]M:991 |
9 |
1 |
357 |
cf |
M |
x,y,z |
1_555 |
12 |
3 |
18371 |
100.8 |
3.1 |
0.421 |
1 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[SO4]M:1507 |
5 |
1 |
188 |
f |
M |
x,y,z |
1_555 |
14 |
5 |
18371 |
93.1 |
-12.3 |
0.852 |
4 |
0 |
0 |
0.133 |
| 16 |
16 |
|
M |
15 |
5 |
18371 |
◊ |
[GOL]M:1513 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
6 |
1 |
228 |
91.9 |
-0.2 |
0.483 |
4 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[NAG]M:971 |
7 |
1 |
362 |
cf |
M |
x,y,z |
1_555 |
7 |
4 |
18371 |
83.3 |
1.9 |
0.347 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[SO4]M:1505 |
5 |
1 |
186 |
f |
M |
x,y,z |
1_555 |
10 |
7 |
18371 |
82.2 |
-10.7 |
0.923 |
3 |
0 |
0 |
0.113 |
| 19 |
19 |
|
[SO4]M:1508 |
4 |
1 |
188 |
f |
M |
x,y,z |
1_555 |
13 |
7 |
18371 |
81.5 |
-11.5 |
0.748 |
2 |
0 |
0 |
0.117 |
| 20 |
20 |
|
[SO4]M:1506 |
5 |
1 |
186 |
f |
M |
x,y,z |
1_555 |
13 |
5 |
18371 |
81.0 |
-12.0 |
0.742 |
4 |
0 |
0 |
0.130 |
| 21 |
21 |
|
[NAG]M:911 |
9 |
1 |
361 |
cf |
M |
x,y,z |
1_555 |
9 |
3 |
18371 |
79.0 |
1.3 |
0.272 |
0 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[GOL]M:1514 |
5 |
1 |
217 |
f |
M |
x,y,z |
1_555 |
15 |
5 |
18371 |
78.0 |
-0.9 |
0.384 |
1 |
0 |
0 |
0.013 |
| 23 |
23 |
|
[FUC]M:942 |
7 |
1 |
279 |
cf |
[NAG]M:941 |
x,y,z |
1_555 |
7 |
1 |
359 |
71.9 |
2.6 |
0.165 |
0 |
0 |
0 |
0.000 |
24 |
|
[FUC]M:952 |
7 |
1 |
281 |
cf |
[NAG]M:951 |
x,y,z |
1_555 |
9 |
1 |
363 |
66.8 |
2.4 |
0.118 |
0 |
0 |
0 |
0.000 |
| Average: |
69.3 |
2.5 |
0.142 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[MAN]M:957 |
7 |
1 |
293 |
◊ |
M |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
7 |
5 |
18371 |
71.5 |
0.7 |
0.266 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[NAG]M:923 |
9 |
1 |
357 |
cf |
[NAG]M:921 |
x,y,z |
1_555 |
6 |
1 |
357 |
71.4 |
1.7 |
0.086 |
0 |
0 |
0 |
0.000 |
27 |
|
[NAG]M:953 |
10 |
1 |
363 |
cf |
[NAG]M:951 |
x,y,z |
1_555 |
7 |
1 |
363 |
66.3 |
1.5 |
0.059 |
0 |
0 |
0 |
0.000 |
| Average: |
68.9 |
1.6 |
0.072 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[GOL]M:1513 |
5 |
1 |
228 |
f |
M |
x,y,z |
1_555 |
12 |
5 |
18371 |
69.4 |
-0.8 |
0.450 |
1 |
0 |
0 |
0.012 |
| 27 |
29 |
|
[SO4]M:1504 |
4 |
1 |
187 |
f |
M |
x,y,z |
1_555 |
8 |
5 |
18371 |
68.7 |
-9.0 |
0.848 |
2 |
0 |
0 |
0.094 |
| 28 |
30 |
|
[NAG]M:943 |
10 |
1 |
365 |
cf |
[NAG]M:941 |
x,y,z |
1_555 |
6 |
1 |
359 |
68.3 |
1.4 |
0.079 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[NAG]M:923 |
4 |
1 |
357 |
f |
M |
x,y,z |
1_555 |
12 |
4 |
18371 |
67.2 |
1.6 |
0.473 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[SO4]M:1509 |
4 |
1 |
188 |
f |
M |
x,y,z |
1_555 |
8 |
3 |
18371 |
66.7 |
-8.8 |
0.704 |
2 |
0 |
0 |
0.092 |
| 31 |
33 |
|
[FUC]M:952 |
6 |
1 |
281 |
◊ |
M |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
10 |
4 |
18371 |
65.8 |
0.0 |
0.172 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[FUC]M:942 |
7 |
1 |
279 |
f |
[NAG]M:943 |
x,y,z |
1_555 |
8 |
1 |
365 |
63.0 |
2.9 |
0.160 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[MAN]M:957 |
8 |
1 |
293 |
cf |
[BMA]M:954 |
x,y,z |
1_555 |
7 |
1 |
289 |
61.2 |
2.7 |
0.204 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[SO4]M:1503 |
4 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
8 |
6 |
18371 |
60.0 |
-6.3 |
0.974 |
3 |
0 |
0 |
0.072 |
| 35 |
37 |
|
[BMA]M:944 |
7 |
1 |
293 |
cf |
[NAG]M:943 |
x,y,z |
1_555 |
5 |
1 |
365 |
57.5 |
1.1 |
0.112 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[MAN]M:956 |
6 |
1 |
292 |
cf |
[BMA]M:954 |
x,y,z |
1_555 |
6 |
1 |
289 |
55.7 |
2.4 |
0.232 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
[XYP]M:945 |
5 |
1 |
262 |
◊ |
M |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
4 |
2 |
18371 |
55.1 |
-1.5 |
0.700 |
1 |
0 |
0 |
0.000 |
| 38 |
40 |
|
[XYP]M:945 |
4 |
1 |
262 |
cf |
[BMA]M:944 |
x,y,z |
1_555 |
5 |
1 |
293 |
54.1 |
-0.1 |
0.432 |
0 |
0 |
0 |
0.001 |
| 39 |
41 |
|
[SO4]M:1510 |
4 |
1 |
185 |
f |
[SO4]M:1505 |
x,y,z |
1_555 |
4 |
1 |
186 |
52.9 |
-10.8 |
0.986 |
0 |
0 |
0 |
0.102 |
| 40 |
42 |
|
[BMA]M:954 |
8 |
1 |
289 |
cf |
[NAG]M:953 |
x,y,z |
1_555 |
5 |
1 |
363 |
52.6 |
1.2 |
0.093 |
0 |
0 |
0 |
0.000 |
| 41 |
43 |
|
[FUC]M:952 |
7 |
1 |
281 |
f |
[NAG]M:953 |
x,y,z |
1_555 |
7 |
1 |
363 |
52.3 |
2.2 |
0.142 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
[XYP]M:955 |
5 |
1 |
261 |
cf |
[BMA]M:954 |
x,y,z |
1_555 |
6 |
1 |
289 |
52.0 |
-0.4 |
0.314 |
0 |
0 |
0 |
0.004 |
| 43 |
45 |
|
[MAN]M:956 |
3 |
1 |
292 |
f |
M |
x,y,z |
1_555 |
6 |
3 |
18371 |
50.0 |
0.9 |
0.440 |
1 |
0 |
0 |
0.000 |
| 44 |
46 |
|
[MAN]M:956 |
8 |
1 |
292 |
f |
[XYP]M:955 |
x,y,z |
1_555 |
3 |
1 |
261 |
48.4 |
1.3 |
0.306 |
0 |
0 |
0 |
0.000 |
| 45 |
47 |
|
[NAG]M:943 |
5 |
1 |
365 |
◊ |
M |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
7 |
3 |
18371 |
48.1 |
1.5 |
0.438 |
0 |
0 |
0 |
0.000 |
| 46 |
48 |
|
[FUC]M:952 |
5 |
1 |
281 |
f |
M |
x,y,z |
1_555 |
9 |
4 |
18371 |
47.8 |
0.9 |
0.334 |
0 |
0 |
0 |
0.000 |
| 47 |
49 |
|
[ZN]M:1502 |
1 |
1 |
98 |
x |
M |
x,y,z |
1_555 |
5 |
2 |
18371 |
46.0 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.258 |
| 48 |
50 |
|
[NAG]M:953 |
8 |
1 |
363 |
◊ |
[GOL]M:1514 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
4 |
1 |
217 |
45.0 |
1.0 |
0.215 |
1 |
0 |
0 |
0.000 |
| 49 |
51 |
|
[GOL]M:1511 |
3 |
1 |
218 |
◊ |
M |
x,y,z |
1_555 |
9 |
3 |
18371 |
44.2 |
-0.9 |
0.337 |
0 |
0 |
0 |
0.000 |
| 50 |
52 |
|
[NAG]M:953 |
3 |
1 |
363 |
f |
M |
x,y,z |
1_555 |
6 |
3 |
18371 |
41.2 |
1.0 |
0.564 |
1 |
0 |
0 |
0.000 |
| 51 |
53 |
|
[NAG]M:953 |
5 |
1 |
363 |
◊ |
M |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
6 |
3 |
18371 |
39.6 |
0.3 |
0.225 |
0 |
0 |
0 |
0.000 |
| 52 |
54 |
|
[XYP]M:945 |
2 |
1 |
262 |
f |
[NAG]M:943 |
x,y,z |
1_555 |
5 |
1 |
365 |
38.2 |
-1.3 |
0.179 |
0 |
0 |
0 |
0.013 |
| 53 |
55 |
|
[XYP]M:955 |
2 |
1 |
261 |
f |
[NAG]M:953 |
x,y,z |
1_555 |
5 |
1 |
363 |
37.1 |
-1.2 |
0.161 |
0 |
0 |
0 |
0.011 |
| 54 |
56 |
|
[BMA]M:954 |
4 |
1 |
289 |
◊ |
[GOL]M:1514 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
4 |
1 |
217 |
35.3 |
1.2 |
0.457 |
0 |
0 |
0 |
0.000 |
| 55 |
57 |
|
[MAN]M:957 |
6 |
1 |
293 |
◊ |
[NAG]M:911 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
4 |
1 |
361 |
32.6 |
1.1 |
0.196 |
0 |
0 |
0 |
0.000 |
| 56 |
58 |
|
[FUC]M:952 |
5 |
1 |
281 |
◊ |
[GOL]M:1514 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
3 |
1 |
217 |
31.4 |
0.8 |
0.369 |
0 |
0 |
0 |
0.000 |
| 57 |
59 |
|
[SO4]M:1509 |
1 |
1 |
188 |
f |
[NAG]M:961 |
x,y,z |
1_555 |
6 |
1 |
361 |
29.9 |
-3.5 |
0.321 |
0 |
0 |
0 |
0.033 |
| 58 |
60 |
|
[BMA]M:954 |
4 |
1 |
289 |
◊ |
M |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
4 |
2 |
18371 |
27.9 |
0.9 |
0.342 |
0 |
0 |
0 |
0.000 |
| 59 |
61 |
|
[MAN]M:956 |
4 |
1 |
292 |
f |
[NAG]M:953 |
x,y,z |
1_555 |
3 |
1 |
363 |
27.5 |
0.9 |
0.201 |
0 |
0 |
0 |
0.000 |
| 60 |
62 |
|
[SO4]M:1503 |
4 |
1 |
185 |
◊ |
M |
-x+1,y,-z+3/2 |
3_656 |
2 |
2 |
18371 |
26.9 |
-2.4 |
0.934 |
1 |
0 |
0 |
0.027 |
| 61 |
63 |
|
[FUC]M:952 |
3 |
1 |
281 |
◊ |
[GOL]M:1513 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
2 |
1 |
228 |
19.5 |
0.5 |
0.476 |
1 |
0 |
0 |
0.000 |
| 62 |
64 |
|
[GOL]M:1512 |
2 |
1 |
216 |
◊ |
M |
-x+1,y,-z+3/2 |
3_656 |
4 |
3 |
18371 |
18.4 |
-0.1 |
0.505 |
0 |
0 |
0 |
0.000 |
| 63 |
65 |
|
[SO4]M:1504 |
4 |
1 |
187 |
◊ |
M |
-x+1,y,-z+3/2 |
3_656 |
2 |
1 |
18371 |
15.3 |
-1.4 |
0.888 |
0 |
0 |
0 |
0.013 |
| 64 |
66 |
|
[NAG]M:961 |
3 |
1 |
361 |
◊ |
M |
-x+1,y,-z+3/2 |
3_656 |
2 |
1 |
18371 |
14.4 |
0.1 |
0.232 |
0 |
0 |
0 |
0.000 |
| 65 |
67 |
|
[MAN]M:957 |
1 |
1 |
293 |
f |
[NAG]M:953 |
x,y,z |
1_555 |
2 |
1 |
363 |
10.9 |
0.5 |
0.305 |
0 |
0 |
0 |
0.000 |
| 66 |
68 |
|
[MAN]M:956 |
2 |
1 |
292 |
◊ |
M |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
2 |
1 |
18371 |
10.7 |
-0.0 |
0.283 |
0 |
0 |
0 |
0.000 |
| 67 |
69 |
|
[MAN]M:957 |
2 |
1 |
293 |
f |
[XYP]M:955 |
x,y,z |
1_555 |
3 |
1 |
261 |
9.9 |
0.1 |
0.480 |
0 |
0 |
0 |
0.000 |
| 68 |
70 |
|
[XYP]M:955 |
1 |
1 |
261 |
f |
M |
x,y,z |
1_555 |
1 |
1 |
18371 |
9.9 |
-0.4 |
0.385 |
0 |
0 |
0 |
0.004 |
| 69 |
71 |
|
[MAN]M:957 |
2 |
1 |
293 |
◊ |
[GOL]M:1514 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
1 |
1 |
217 |
9.0 |
0.4 |
0.391 |
0 |
0 |
0 |
0.000 |
| 70 |
72 |
|
[NAG]M:951 |
3 |
1 |
363 |
◊ |
[GOL]M:1513 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
1 |
1 |
228 |
6.0 |
0.3 |
0.331 |
0 |
0 |
0 |
0.000 |
| 71 |
73 |
|
[FUC]M:942 |
1 |
1 |
279 |
f |
M |
x,y,z |
1_555 |
1 |
1 |
18371 |
5.3 |
0.2 |
0.397 |
0 |
0 |
0 |
0.000 |
| 72 |
74 |
|
[GOL]M:1511 |
2 |
1 |
218 |
◊ |
[NAG]M:943 |
x,y,z |
1_555 |
2 |
1 |
365 |
5.0 |
0.2 |
0.345 |
0 |
0 |
0 |
0.000 |
| 73 |
75 |
|
[SO4]M:1506 |
1 |
1 |
186 |
◊ |
M |
x,-y+2,-z+1 |
4_576 |
1 |
1 |
18371 |
4.3 |
-0.6 |
0.573 |
0 |
0 |
0 |
0.000 |
| 74 |
76 |
|
[BMA]M:944 |
1 |
1 |
293 |
f |
[FUC]M:942 |
x,y,z |
1_555 |
1 |
1 |
279 |
4.1 |
0.3 |
0.191 |
0 |
0 |
0 |
0.000 |
| 75 |
77 |
|
[NAG]M:941 |
1 |
1 |
359 |
◊ |
M |
x,-y+2,-z+1 |
4_576 |
1 |
1 |
18371 |
3.6 |
0.2 |
0.465 |
0 |
0 |
0 |
0.000 |
| 76 |
78 |
|
[NAG]M:951 |
1 |
1 |
363 |
◊ |
[GOL]M:1514 |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
1 |
1 |
217 |
3.1 |
-0.1 |
0.267 |
0 |
0 |
0 |
0.000 |
| 77 |
79 |
|
[FUC]M:942 |
2 |
1 |
279 |
◊ |
M |
x,-y+2,-z+1 |
4_576 |
1 |
1 |
18371 |
2.0 |
0.1 |
0.473 |
0 |
0 |
0 |
0.000 |
| 78 |
80 |
|
[BMA]M:944 |
1 |
1 |
293 |
◊ |
M |
-x+1/2,-y+3/2,z-1/2 |
6_564 |
1 |
1 |
18371 |
1.1 |
-0.0 |
0.296 |
0 |
0 |
0 |
0.000 |
| 79 |
81 |
|
[GOL]M:1511 |
1 |
1 |
218 |
◊ |
[NAG]M:941 |
x,y,z |
1_555 |
1 |
1 |
359 |
0.3 |
0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
|