| ## |
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 |
|
D |
148 |
34 |
6636 |
◊ |
C |
x,y,z |
1_555 |
158 |
45 |
15351 |
1448.7 |
-16.2 |
0.117 |
16 |
2 |
0 |
1.000 |
2 |
|
F |
146 |
34 |
6642 |
◊ |
E |
x,y,z |
1_555 |
158 |
43 |
15357 |
1440.6 |
-15.9 |
0.135 |
15 |
2 |
0 |
1.000 |
3 |
|
B |
141 |
35 |
6588 |
◊ |
A |
x,y,z |
1_555 |
154 |
44 |
15470 |
1430.2 |
-16.3 |
0.113 |
15 |
3 |
0 |
1.000 |
| Average: |
1439.8 |
-16.1 |
0.121 |
15 |
2 |
0 |
1.000 |
| 2 |
4 |
|
A |
70 |
20 |
15470 |
◊ |
C |
x-1/2,y+1/2,z |
5_455 |
65 |
16 |
15351 |
586.6 |
-5.0 |
0.357 |
3 |
0 |
0 |
0.000 |
| 3 |
5 |
|
C |
65 |
24 |
15351 |
◊ |
C |
x,-y,-z+2 |
4_557 |
65 |
24 |
15351 |
567.4 |
-3.6 |
0.458 |
6 |
6 |
0 |
0.000 |
| 4 |
6 |
|
F |
44 |
17 |
6642 |
◊ |
C |
x,y,z |
1_555 |
50 |
14 |
15351 |
471.1 |
-0.7 |
0.629 |
9 |
0 |
0 |
0.000 |
7 |
|
D |
44 |
15 |
6636 |
◊ |
E |
x,y,z |
1_555 |
50 |
14 |
15357 |
456.2 |
-0.3 |
0.653 |
5 |
0 |
0 |
0.000 |
| Average: |
463.6 |
-0.5 |
0.641 |
7 |
0 |
0 |
0.000 |
| 5 |
8 |
|
C |
37 |
10 |
15351 |
◊ |
A |
x,y,z |
1_555 |
32 |
9 |
15470 |
331.6 |
0.7 |
0.731 |
9 |
0 |
0 |
0.081 |
| 6 |
9 |
|
D |
32 |
9 |
6636 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
34 |
13 |
15470 |
305.5 |
-0.8 |
0.595 |
5 |
0 |
0 |
0.000 |
| 7 |
10 |
|
D |
35 |
12 |
6636 |
◊ |
A |
x,y,z |
1_555 |
35 |
10 |
15470 |
298.8 |
-0.1 |
0.666 |
3 |
3 |
0 |
0.133 |
| 8 |
11 |
|
E |
33 |
9 |
15357 |
◊ |
A |
-x+1/2,y-1/2,-z+3/2 |
7_546 |
34 |
9 |
15470 |
278.5 |
0.7 |
0.744 |
1 |
1 |
0 |
0.000 |
| 9 |
12 |
|
F |
24 |
8 |
6642 |
◊ |
E |
x,-y,-z+1 |
4_556 |
25 |
7 |
15357 |
226.0 |
-2.5 |
0.345 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
B |
26 |
9 |
6588 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
15351 |
215.8 |
-0.0 |
0.648 |
3 |
3 |
0 |
0.044 |
| 11 |
14 |
|
B |
13 |
5 |
6588 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
22 |
10 |
15470 |
165.6 |
0.6 |
0.694 |
3 |
1 |
0 |
0.000 |
| 12 |
15 |
|
E |
15 |
6 |
15357 |
◊ |
E |
-x+1,y,-z+3/2 |
3_656 |
15 |
6 |
15357 |
145.0 |
-2.3 |
0.249 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
E |
16 |
9 |
15357 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
18 |
9 |
15470 |
141.3 |
-0.4 |
0.464 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
E |
10 |
3 |
15357 |
◊ |
C |
-x+1,y,-z+3/2 |
3_656 |
21 |
5 |
15351 |
138.7 |
-0.6 |
0.282 |
2 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[NAG]C:501 |
7 |
1 |
367 |
cf |
C |
x,y,z |
1_555 |
16 |
5 |
15351 |
115.7 |
3.7 |
0.642 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[NAG]A:501 |
8 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
15 |
5 |
15470 |
115.6 |
3.3 |
0.534 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[MAN]C:508 |
7 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
15470 |
100.2 |
1.3 |
0.365 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[NDG]C:509 |
8 |
1 |
354 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
15470 |
99.6 |
3.1 |
0.458 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[NAG]A:509 |
6 |
1 |
366 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
15351 |
97.6 |
3.1 |
0.630 |
2 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[NAG]C:401 |
11 |
1 |
349 |
cf |
C |
x,y,z |
1_555 |
11 |
5 |
15351 |
94.6 |
3.1 |
0.322 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[NAG]A:401 |
10 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
12 |
5 |
15470 |
93.0 |
2.5 |
0.350 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[NAG]A:501 |
10 |
1 |
362 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
15351 |
86.6 |
1.7 |
0.242 |
1 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[BME]C:420 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
15351 |
83.8 |
-1.8 |
0.293 |
1 |
0 |
0 |
0.447 |
| 24 |
27 |
|
[MAN]A:508 |
5 |
1 |
293 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
15351 |
81.2 |
1.0 |
0.388 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[NAG]C:501 |
10 |
1 |
367 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
15470 |
81.0 |
1.5 |
0.246 |
3 |
0 |
0 |
0.000 |
| 26 |
29 |
|
D |
10 |
3 |
6636 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
6588 |
75.1 |
1.1 |
0.746 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[MAN]C:508 |
7 |
1 |
294 |
cf |
[NDG]C:509 |
x,y,z |
1_555 |
10 |
1 |
354 |
72.7 |
3.4 |
0.137 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[BME]E:420 |
4 |
1 |
209 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
15357 |
70.7 |
-1.2 |
0.336 |
1 |
0 |
0 |
0.100 |
| 29 |
32 |
|
[MAN]A:508 |
7 |
1 |
293 |
cf |
[NAG]A:509 |
x,y,z |
1_555 |
8 |
1 |
366 |
70.0 |
2.9 |
0.163 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[NAG]C:503 |
10 |
1 |
361 |
cf |
[NAG]C:501 |
x,y,z |
1_555 |
6 |
1 |
367 |
68.4 |
1.5 |
0.088 |
1 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[BME]B:420 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15470 |
68.4 |
-1.6 |
0.287 |
1 |
0 |
0 |
0.145 |
| 32 |
35 |
|
[GAL]A:510 |
8 |
1 |
292 |
◊ |
C |
x,-y,-z+2 |
4_557 |
8 |
2 |
15351 |
68.0 |
2.9 |
0.410 |
0 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[MAN]A:508 |
8 |
1 |
293 |
cf |
[BMA]A:504 |
x,y,z |
1_555 |
6 |
1 |
290 |
67.9 |
2.3 |
0.161 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[NDG]A:503 |
6 |
1 |
355 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
6 |
1 |
362 |
66.5 |
1.9 |
0.126 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
[SO4]A:325 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
15470 |
64.6 |
-8.5 |
0.897 |
3 |
0 |
0 |
0.687 |
| 36 |
39 |
|
[BMA]C:504 |
5 |
1 |
289 |
cf |
[NAG]C:503 |
x,y,z |
1_555 |
6 |
1 |
361 |
63.7 |
1.6 |
0.167 |
1 |
0 |
0 |
0.000 |
| 37 |
40 |
|
[FUL]A:502 |
6 |
1 |
281 |
cf |
[NAG]A:501 |
x,y,z |
1_555 |
5 |
1 |
362 |
62.7 |
1.3 |
0.143 |
0 |
0 |
0 |
0.000 |
| 38 |
41 |
|
[GAL]A:510 |
6 |
1 |
292 |
cf |
[NAG]A:509 |
x,y,z |
1_555 |
7 |
1 |
366 |
62.5 |
1.0 |
0.085 |
1 |
0 |
0 |
0.000 |
| 39 |
42 |
|
[MAN]C:508 |
5 |
1 |
294 |
cf |
[BMA]C:504 |
x,y,z |
1_555 |
7 |
1 |
289 |
61.4 |
1.8 |
0.173 |
0 |
0 |
0 |
0.000 |
| 40 |
43 |
|
[SO4]A:326 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
15470 |
61.2 |
-7.0 |
0.924 |
3 |
0 |
0 |
0.585 |
| 41 |
44 |
|
[BMA]A:504 |
6 |
1 |
290 |
cf |
[NDG]A:503 |
x,y,z |
1_555 |
7 |
1 |
355 |
59.7 |
1.8 |
0.099 |
0 |
0 |
0 |
0.000 |
| 42 |
45 |
|
[NAG]A:509 |
6 |
1 |
366 |
◊ |
C |
x,-y,-z+2 |
4_557 |
7 |
3 |
15351 |
59.7 |
0.9 |
0.281 |
0 |
0 |
0 |
0.000 |
| 43 |
46 |
|
[GAL]C:510 |
7 |
1 |
288 |
cf |
[NDG]C:509 |
x,y,z |
1_555 |
5 |
1 |
354 |
59.4 |
1.4 |
0.105 |
0 |
0 |
0 |
0.000 |
| 44 |
47 |
|
[FUC]C:502 |
6 |
1 |
272 |
cf |
[NAG]C:501 |
x,y,z |
1_555 |
6 |
1 |
367 |
58.6 |
2.6 |
0.227 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
[NDG]A:503 |
7 |
1 |
355 |
f |
[FUL]A:502 |
x,y,z |
1_555 |
4 |
1 |
281 |
55.9 |
1.6 |
0.118 |
0 |
0 |
0 |
0.000 |
| 46 |
49 |
|
[FUC]C:502 |
5 |
1 |
272 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
15470 |
55.4 |
0.9 |
0.337 |
0 |
0 |
0 |
0.000 |
| 47 |
50 |
|
[SO4]A:326 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
6636 |
54.7 |
-6.7 |
0.720 |
1 |
0 |
0 |
0.502 |
| 48 |
51 |
|
[GAL]C:510 |
6 |
1 |
288 |
◊ |
E |
-x,y,-z+3/2 |
3_556 |
8 |
4 |
15357 |
53.8 |
0.4 |
0.183 |
2 |
0 |
0 |
0.000 |
| 49 |
52 |
|
[NAG]C:503 |
4 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
15470 |
53.5 |
1.6 |
0.612 |
1 |
0 |
0 |
0.000 |
| 50 |
53 |
|
[BME]E:420 |
4 |
1 |
209 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
6642 |
53.4 |
0.5 |
0.527 |
1 |
0 |
0 |
0.000 |
| 51 |
54 |
|
[NDG]A:503 |
5 |
1 |
355 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
15351 |
53.1 |
1.7 |
0.415 |
1 |
0 |
0 |
0.000 |
| 52 |
55 |
|
[GAL]A:510 |
4 |
1 |
292 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
15351 |
52.9 |
0.6 |
0.412 |
1 |
0 |
0 |
0.000 |
| 53 |
56 |
|
[FUC]C:502 |
4 |
1 |
272 |
f |
[NAG]C:503 |
x,y,z |
1_555 |
7 |
1 |
361 |
49.3 |
2.4 |
0.270 |
0 |
0 |
0 |
0.000 |
| 54 |
57 |
|
[BME]B:420 |
4 |
1 |
207 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6588 |
48.7 |
1.4 |
0.667 |
0 |
0 |
0 |
0.000 |
| 55 |
58 |
|
[SO4]A:325 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
6636 |
47.2 |
-6.6 |
0.611 |
0 |
0 |
0 |
0.463 |
| 56 |
59 |
|
[SO4]A:326 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
15351 |
46.1 |
-5.7 |
0.786 |
2 |
0 |
0 |
0.162 |
| 57 |
60 |
|
[FUL]A:502 |
5 |
1 |
281 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
15351 |
46.0 |
0.0 |
0.240 |
0 |
0 |
0 |
0.000 |
| 58 |
61 |
|
[BMA]A:504 |
5 |
1 |
290 |
f |
[FUL]A:502 |
x,y,z |
1_555 |
3 |
1 |
281 |
42.1 |
2.2 |
0.425 |
0 |
0 |
0 |
0.000 |
| 59 |
62 |
|
A |
3 |
1 |
15470 |
◊ |
A |
-x,y,-z+3/2 |
3_556 |
3 |
1 |
15470 |
29.0 |
2.0 |
0.965 |
0 |
0 |
0 |
0.000 |
| 60 |
63 |
|
[BMA]A:504 |
5 |
1 |
290 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
15351 |
26.9 |
-0.1 |
0.229 |
0 |
0 |
0 |
0.001 |
| 61 |
64 |
|
F |
4 |
1 |
6642 |
◊ |
F |
x,-y,-z+1 |
4_556 |
4 |
1 |
6642 |
26.0 |
-0.8 |
0.320 |
0 |
0 |
0 |
0.000 |
| 62 |
65 |
|
[MAN]A:508 |
3 |
1 |
293 |
◊ |
C |
x,-y,-z+2 |
4_557 |
3 |
1 |
15351 |
25.9 |
1.0 |
0.508 |
0 |
0 |
0 |
0.000 |
| 63 |
66 |
|
[NAG]A:401 |
4 |
1 |
355 |
◊ |
C |
x-1/2,y+1/2,z |
5_455 |
3 |
1 |
15351 |
24.6 |
0.7 |
0.397 |
0 |
0 |
0 |
0.000 |
| 64 |
67 |
|
[GAL]C:510 |
4 |
1 |
288 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
15470 |
24.4 |
0.1 |
0.245 |
0 |
0 |
0 |
0.000 |
| 65 |
68 |
|
[BMA]C:504 |
1 |
1 |
289 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15470 |
20.0 |
0.6 |
0.504 |
0 |
0 |
0 |
0.000 |
| 66 |
69 |
|
[BMA]C:504 |
2 |
1 |
289 |
f |
[NDG]C:509 |
x,y,z |
1_555 |
4 |
1 |
354 |
19.3 |
0.8 |
0.183 |
0 |
0 |
0 |
0.000 |
| 67 |
70 |
|
[MAN]C:508 |
2 |
1 |
294 |
f |
[NAG]C:503 |
x,y,z |
1_555 |
2 |
1 |
361 |
18.6 |
0.3 |
0.232 |
1 |
0 |
0 |
0.029 |
| 68 |
71 |
|
[BME]C:420 |
1 |
1 |
208 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
6636 |
17.3 |
-0.6 |
0.425 |
0 |
0 |
0 |
0.112 |
| 69 |
72 |
|
[BMA]A:504 |
2 |
1 |
290 |
f |
[NAG]A:509 |
x,y,z |
1_555 |
1 |
1 |
366 |
15.2 |
0.7 |
0.456 |
0 |
0 |
0 |
0.000 |
| 70 |
73 |
|
[FUC]C:502 |
1 |
1 |
272 |
◊ |
[SO4]A:326 |
x,y,z |
1_555 |
1 |
1 |
186 |
8.4 |
-0.8 |
0.400 |
0 |
0 |
0 |
0.021 |
| 71 |
74 |
|
[MAN]A:508 |
1 |
1 |
293 |
f |
[NDG]A:503 |
x,y,z |
1_555 |
2 |
1 |
355 |
7.2 |
0.2 |
0.140 |
0 |
0 |
0 |
0.000 |
| 72 |
75 |
|
[BMA]A:504 |
1 |
1 |
290 |
◊ |
C |
x,-y,-z+2 |
4_557 |
3 |
1 |
15351 |
5.9 |
0.1 |
0.341 |
0 |
0 |
0 |
0.000 |
| 73 |
76 |
|
[FUL]A:502 |
2 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
15470 |
5.3 |
0.2 |
0.467 |
0 |
0 |
0 |
0.000 |
| 74 |
77 |
|
A |
1 |
1 |
15470 |
◊ |
F |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
6642 |
3.8 |
0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
| 75 |
78 |
|
[FUL]A:502 |
1 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6588 |
3.4 |
0.1 |
0.383 |
0 |
0 |
0 |
0.000 |
| 76 |
79 |
|
[BME]C:420 |
1 |
1 |
208 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6642 |
3.4 |
0.1 |
0.437 |
0 |
0 |
0 |
0.000 |
| 77 |
80 |
|
[FUC]C:502 |
2 |
1 |
272 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
15351 |
3.2 |
0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
| 78 |
81 |
|
[BMA]A:504 |
1 |
1 |
290 |
f |
[NAG]A:501 |
x,y,z |
1_555 |
1 |
1 |
362 |
3.0 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| 79 |
82 |
|
[FUC]C:502 |
1 |
1 |
272 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6636 |
1.9 |
-0.0 |
0.375 |
0 |
0 |
0 |
0.006 |
| 80 |
83 |
|
A |
1 |
1 |
15470 |
◊ |
[NAG]C:401 |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
349 |
1.7 |
0.0 |
0.322 |
0 |
0 |
0 |
0.000 |
| 81 |
84 |
|
E |
1 |
1 |
15357 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
15351 |
0.6 |
0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
|