| ## |
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 |
252 |
47 |
8206 |
◊ |
A |
x,y,z |
1_555 |
306 |
86 |
15252 |
2604.1 |
-41.1 |
0.228 |
31 |
1 |
1 |
0.578 |
| 2 |
2 |
|
D |
155 |
39 |
13919 |
◊ |
C |
x,y,z |
1_555 |
186 |
60 |
9944 |
1632.1 |
-19.0 |
0.203 |
19 |
8 |
0 |
1.000 |
| 3 |
3 |
|
D |
180 |
51 |
13919 |
◊ |
B |
x,y,z |
1_555 |
160 |
30 |
8206 |
1539.0 |
-14.3 |
0.613 |
24 |
8 |
0 |
1.000 |
| 4 |
4 |
|
A |
132 |
42 |
15252 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
132 |
42 |
15252 |
1257.1 |
-7.0 |
0.547 |
16 |
4 |
0 |
0.146 |
| 5 |
5 |
|
C |
120 |
35 |
9944 |
◊ |
B |
x,y,z |
1_555 |
101 |
24 |
8206 |
1129.1 |
-23.9 |
0.094 |
12 |
0 |
1 |
1.000 |
| 6 |
6 |
|
E |
107 |
29 |
7728 |
◊ |
A |
x,y,z |
1_555 |
121 |
33 |
15252 |
1105.0 |
-8.4 |
0.445 |
11 |
0 |
0 |
0.189 |
| 7 |
7 |
|
C |
90 |
19 |
9944 |
◊ |
A |
x,y,z |
1_555 |
114 |
32 |
15252 |
831.0 |
-11.0 |
0.197 |
6 |
2 |
0 |
0.384 |
| 8 |
8 |
|
D |
83 |
24 |
13919 |
◊ |
A |
x,y,z |
1_555 |
99 |
29 |
15252 |
802.9 |
-3.2 |
0.477 |
16 |
1 |
0 |
0.181 |
| 9 |
9 |
|
E |
73 |
20 |
7728 |
◊ |
B |
x,y,z |
1_555 |
90 |
22 |
8206 |
729.7 |
-8.3 |
0.445 |
7 |
0 |
0 |
0.459 |
| 10 |
10 |
|
E |
74 |
20 |
7728 |
◊ |
C |
x,y,z |
1_555 |
72 |
20 |
9944 |
649.5 |
-7.6 |
0.448 |
16 |
0 |
0 |
1.000 |
| 11 |
11 |
|
E |
62 |
18 |
7728 |
◊ |
D |
x,y,z |
1_555 |
65 |
18 |
13919 |
550.3 |
-1.7 |
0.667 |
5 |
8 |
0 |
0.349 |
| 12 |
12 |
|
E |
52 |
15 |
7728 |
◊ |
D |
y,x-1,-z+1/3 |
7_545 |
54 |
16 |
13919 |
439.7 |
-4.9 |
0.387 |
6 |
0 |
0 |
0.000 |
| 13 |
13 |
|
E |
37 |
13 |
7728 |
◊ |
C |
y,x-1,-z+1/3 |
7_545 |
31 |
10 |
9944 |
269.9 |
-1.3 |
0.702 |
2 |
1 |
0 |
0.000 |
| 14 |
14 |
|
[NAG]D:1 |
14 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
19 |
7 |
13919 |
157.7 |
3.4 |
0.304 |
1 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[TRS]A:2 |
7 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
15252 |
117.0 |
2.4 |
0.284 |
6 |
0 |
0 |
0.007 |
| 16 |
16 |
|
[NAG]D:2 |
10 |
1 |
357 |
cf |
D |
x,y,z |
1_555 |
15 |
5 |
13919 |
113.8 |
2.3 |
0.342 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[NDG]C:1 |
9 |
1 |
358 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
8206 |
99.8 |
0.6 |
0.230 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[NAG]C:2 |
11 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
8206 |
92.4 |
1.0 |
0.305 |
0 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[MAN]C:167 |
6 |
1 |
291 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
9944 |
86.0 |
2.3 |
0.513 |
1 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[NDG]C:1 |
10 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
10 |
4 |
9944 |
83.4 |
2.2 |
0.215 |
0 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[SO4]A:3001 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15252 |
82.3 |
-12.2 |
0.817 |
5 |
0 |
0 |
0.397 |
| 22 |
22 |
|
[SO4]E:3002 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
7728 |
79.8 |
-11.7 |
0.774 |
4 |
0 |
0 |
0.922 |
| 23 |
23 |
|
[NDG]C:1 |
5 |
1 |
358 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
13919 |
79.5 |
2.2 |
0.560 |
0 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[MAN]C:16 |
7 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
9944 |
76.1 |
0.8 |
0.318 |
0 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[NAG]D:3 |
9 |
1 |
351 |
cf |
D |
x,y,z |
1_555 |
5 |
2 |
13919 |
73.3 |
1.3 |
0.244 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[MAN]C:166 |
5 |
1 |
291 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
9944 |
72.9 |
1.6 |
0.538 |
1 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[NDG]D:11 |
8 |
1 |
358 |
cf |
[NAG]D:1 |
x,y,z |
1_555 |
7 |
1 |
361 |
72.9 |
2.3 |
0.094 |
0 |
0 |
0 |
0.000 |
| 28 |
28 |
|
[NDG]C:1 |
6 |
1 |
358 |
cf |
[NAG]C:2 |
x,y,z |
1_555 |
9 |
1 |
360 |
69.8 |
1.7 |
0.065 |
0 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[BMA]C:3 |
9 |
1 |
289 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
9944 |
68.8 |
1.4 |
0.347 |
0 |
0 |
0 |
0.000 |
| 30 |
30 |
|
[MAN]C:13 |
5 |
1 |
292 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
9944 |
67.6 |
1.6 |
0.477 |
1 |
0 |
0 |
0.000 |
| 31 |
31 |
|
[NAG]D:21 |
7 |
1 |
352 |
cf |
[NAG]D:2 |
x,y,z |
1_555 |
6 |
1 |
357 |
64.0 |
1.1 |
0.076 |
1 |
0 |
0 |
0.000 |
32 |
|
[NAG]D:31 |
7 |
1 |
357 |
cf |
[NAG]D:3 |
x,y,z |
1_555 |
6 |
1 |
351 |
62.4 |
1.3 |
0.097 |
0 |
0 |
0 |
0.000 |
| Average: |
63.2 |
1.2 |
0.086 |
1 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[MAN]C:166 |
8 |
1 |
291 |
cf |
[MAN]C:16 |
x,y,z |
1_555 |
5 |
1 |
290 |
62.7 |
2.7 |
0.207 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[MAN]C:14 |
6 |
1 |
294 |
cf |
[MAN]C:13 |
x,y,z |
1_555 |
4 |
1 |
292 |
62.0 |
3.0 |
0.320 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[MAN]C:167 |
6 |
1 |
291 |
cf |
[MAN]C:166 |
x,y,z |
1_555 |
8 |
1 |
291 |
61.6 |
2.4 |
0.150 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[NAG]C:2 |
9 |
1 |
360 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
9944 |
60.9 |
0.6 |
0.227 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[MAN]C:167 |
7 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
15252 |
59.9 |
0.7 |
0.277 |
2 |
0 |
0 |
0.006 |
| 37 |
38 |
|
A |
6 |
3 |
15252 |
◊ |
C |
y,x-1,-z+1/3 |
7_545 |
8 |
6 |
9944 |
58.6 |
-0.8 |
0.454 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
[MAN]C:13 |
7 |
1 |
292 |
cf |
[BMA]C:3 |
x,y,z |
1_555 |
6 |
1 |
289 |
56.6 |
2.7 |
0.223 |
0 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[NAG]A:1 |
4 |
1 |
352 |
cf |
A |
x,y,z |
1_555 |
4 |
1 |
15252 |
56.3 |
1.6 |
0.549 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[MAN]C:163 |
7 |
1 |
293 |
cf |
[MAN]C:16 |
x,y,z |
1_555 |
5 |
1 |
290 |
55.5 |
2.4 |
0.216 |
0 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[MAN]C:14 |
3 |
1 |
294 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
9944 |
55.0 |
1.0 |
0.558 |
1 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[MAN]C:167 |
6 |
1 |
291 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
7 |
2 |
15252 |
54.5 |
0.5 |
0.284 |
0 |
0 |
0 |
0.000 |
| 43 |
44 |
|
[BMA]C:3 |
7 |
1 |
289 |
cf |
[NAG]C:2 |
x,y,z |
1_555 |
5 |
1 |
360 |
51.2 |
0.7 |
0.101 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[MAN]C:16 |
7 |
1 |
290 |
cf |
[BMA]C:3 |
x,y,z |
1_555 |
5 |
1 |
289 |
50.9 |
2.1 |
0.200 |
0 |
0 |
0 |
0.000 |
| 45 |
46 |
|
[NAG]D:3 |
3 |
1 |
351 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8206 |
49.7 |
1.0 |
0.609 |
0 |
0 |
0 |
0.000 |
| 46 |
47 |
|
[NDG]D:11 |
6 |
1 |
358 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
13919 |
45.9 |
1.3 |
0.291 |
1 |
0 |
0 |
0.000 |
| 47 |
48 |
|
E |
8 |
3 |
7728 |
◊ |
[NAG]D:2 |
y,x-1,-z+1/3 |
7_545 |
5 |
1 |
357 |
45.4 |
0.8 |
0.387 |
0 |
0 |
0 |
0.000 |
| 48 |
49 |
|
[TRS]A:2 |
5 |
1 |
254 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
9944 |
45.0 |
0.8 |
0.801 |
1 |
0 |
0 |
0.000 |
| 49 |
50 |
|
[NAG]C:2 |
5 |
1 |
360 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
13919 |
40.5 |
1.3 |
0.476 |
0 |
0 |
0 |
0.000 |
| 50 |
51 |
|
[NAG]D:21 |
5 |
1 |
352 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
13919 |
40.0 |
0.4 |
0.111 |
0 |
0 |
0 |
0.000 |
| 51 |
52 |
|
[MAN]C:163 |
2 |
1 |
293 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
13919 |
37.3 |
0.6 |
0.498 |
1 |
0 |
0 |
0.000 |
| 52 |
53 |
|
E |
4 |
2 |
7728 |
◊ |
[NAG]D:21 |
y,x-1,-z+1/3 |
7_545 |
5 |
1 |
352 |
37.1 |
1.1 |
0.370 |
0 |
0 |
0 |
0.000 |
| 53 |
54 |
|
[TRS]A:2 |
4 |
1 |
254 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
13919 |
36.5 |
0.8 |
0.798 |
1 |
0 |
0 |
0.000 |
| 54 |
55 |
|
[ZN]A:3 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
15252 |
29.6 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.549 |
| 55 |
56 |
|
[MAN]C:167 |
4 |
1 |
291 |
f |
[MAN]C:16 |
x,y,z |
1_555 |
2 |
1 |
290 |
24.7 |
0.9 |
0.204 |
0 |
0 |
0 |
0.000 |
| 56 |
57 |
|
[ZN]A:3 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9944 |
23.4 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.282 |
| 57 |
58 |
|
[MAN]C:14 |
4 |
1 |
294 |
f |
[BMA]C:3 |
x,y,z |
1_555 |
3 |
1 |
289 |
23.1 |
0.8 |
0.204 |
0 |
0 |
0 |
0.000 |
| 58 |
59 |
|
[ZN]A:3 |
1 |
1 |
98 |
f |
[TRS]A:2 |
x,y,z |
1_555 |
3 |
1 |
254 |
22.2 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.273 |
| 59 |
60 |
|
[NAG]D:2 |
3 |
1 |
357 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
9944 |
22.1 |
0.6 |
0.451 |
0 |
0 |
0 |
0.000 |
| 60 |
61 |
|
[MAN]C:13 |
4 |
1 |
292 |
f |
[NAG]C:2 |
x,y,z |
1_555 |
2 |
1 |
360 |
22.0 |
0.5 |
0.163 |
0 |
0 |
0 |
0.000 |
| 61 |
62 |
|
[NAG]D:31 |
1 |
1 |
357 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
13919 |
21.8 |
0.4 |
0.286 |
0 |
0 |
0 |
0.000 |
| 62 |
63 |
|
[NAG]D:31 |
4 |
1 |
357 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8206 |
20.6 |
0.7 |
0.402 |
0 |
0 |
0 |
0.000 |
| 63 |
64 |
|
[TRS]A:2 |
2 |
1 |
254 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8206 |
20.0 |
-0.1 |
0.547 |
0 |
0 |
0 |
0.001 |
| 64 |
65 |
|
[NAG]D:3 |
4 |
1 |
351 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
15252 |
17.7 |
0.5 |
0.350 |
0 |
0 |
0 |
0.000 |
| 65 |
66 |
|
[SO4]E:3002 |
3 |
1 |
187 |
◊ |
D |
y,x-1,-z+1/3 |
7_545 |
2 |
1 |
13919 |
17.3 |
-2.3 |
0.542 |
0 |
0 |
0 |
0.000 |
| 66 |
67 |
|
[BMA]C:3 |
4 |
1 |
289 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8206 |
16.5 |
0.4 |
0.407 |
0 |
0 |
0 |
0.000 |
| 67 |
68 |
|
[MAN]C:163 |
2 |
1 |
293 |
f |
[BMA]C:3 |
x,y,z |
1_555 |
3 |
1 |
289 |
15.1 |
0.7 |
0.267 |
0 |
0 |
0 |
0.000 |
| 68 |
69 |
|
[MAN]C:16 |
1 |
1 |
290 |
f |
[NAG]C:2 |
x,y,z |
1_555 |
1 |
1 |
360 |
10.2 |
0.5 |
0.477 |
0 |
0 |
0 |
0.000 |
| 69 |
70 |
|
C |
1 |
1 |
9944 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
1 |
1 |
15252 |
3.9 |
-0.0 |
0.542 |
0 |
0 |
0 |
0.000 |
| 70 |
71 |
|
[SO4]A:3001 |
1 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
7728 |
3.9 |
-0.5 |
0.651 |
0 |
0 |
0 |
0.007 |
| 71 |
72 |
|
[MAN]C:166 |
1 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15252 |
1.4 |
-0.0 |
0.302 |
0 |
0 |
0 |
0.000 |
|