| ## |
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 |
93 |
30 |
12046 |
◊ |
B |
x,y,z |
1_555 |
89 |
22 |
12185 |
905.8 |
2.5 |
0.728 |
18 |
6 |
0 |
0.000 |
2 |
|
G |
94 |
27 |
12088 |
◊ |
F |
x,y,z |
1_555 |
85 |
22 |
11653 |
895.6 |
2.1 |
0.713 |
15 |
8 |
0 |
0.000 |
| Average: |
900.7 |
2.3 |
0.720 |
17 |
7 |
0 |
0.000 |
| 2 |
3 |
|
H |
97 |
22 |
8176 |
◊ |
E |
x,y,z |
1_555 |
97 |
26 |
9141 |
891.4 |
1.5 |
0.824 |
15 |
7 |
0 |
0.000 |
4 |
|
D |
98 |
22 |
8189 |
◊ |
A |
x,y,z |
1_555 |
91 |
26 |
8906 |
872.1 |
0.5 |
0.759 |
17 |
7 |
0 |
0.000 |
| Average: |
881.7 |
1.0 |
0.792 |
16 |
7 |
0 |
0.000 |
| 3 |
5 |
|
D |
66 |
17 |
8189 |
◊ |
B |
x,y,z |
1_555 |
74 |
20 |
12185 |
656.1 |
-2.7 |
0.514 |
13 |
6 |
0 |
0.000 |
6 |
|
H |
66 |
16 |
8176 |
◊ |
F |
x,y,z |
1_555 |
69 |
17 |
11653 |
651.5 |
-2.9 |
0.503 |
11 |
6 |
0 |
0.000 |
| Average: |
653.8 |
-2.8 |
0.509 |
12 |
6 |
0 |
0.000 |
| 4 |
7 |
|
C |
71 |
15 |
12046 |
◊ |
A |
x,y-1,z |
1_545 |
70 |
19 |
8906 |
623.2 |
-3.2 |
0.397 |
9 |
2 |
0 |
0.000 |
8 |
|
E |
70 |
18 |
9141 |
◊ |
G |
x,y-1,z |
1_545 |
72 |
15 |
12088 |
596.8 |
-3.5 |
0.435 |
8 |
2 |
0 |
0.000 |
| Average: |
610.0 |
-3.3 |
0.416 |
9 |
2 |
0 |
0.000 |
| 5 |
9 |
|
H |
59 |
20 |
8176 |
◊ |
G |
x,y,z |
1_555 |
60 |
17 |
12088 |
535.1 |
-3.3 |
0.390 |
7 |
0 |
0 |
0.000 |
10 |
|
D |
61 |
19 |
8189 |
◊ |
C |
x,y,z |
1_555 |
57 |
16 |
12046 |
519.1 |
-4.6 |
0.262 |
5 |
0 |
0 |
0.000 |
| Average: |
527.1 |
-4.0 |
0.326 |
6 |
0 |
0 |
0.000 |
| 6 |
11 |
|
F |
42 |
11 |
11653 |
x |
F |
x-1,y,z |
1_455 |
49 |
14 |
11653 |
393.0 |
-1.2 |
0.507 |
4 |
3 |
0 |
0.000 |
12 |
|
B |
38 |
11 |
12185 |
x |
B |
x-1,y,z |
1_455 |
49 |
15 |
12185 |
391.3 |
-1.4 |
0.496 |
3 |
2 |
0 |
0.000 |
| Average: |
392.1 |
-1.3 |
0.501 |
4 |
3 |
0 |
0.000 |
| 7 |
13 |
|
F |
21 |
7 |
11653 |
◊ |
B |
x,y,z |
1_555 |
33 |
9 |
12185 |
245.7 |
-0.9 |
0.508 |
1 |
0 |
0 |
0.000 |
| 8 |
14 |
|
C |
22 |
7 |
12046 |
◊ |
E |
x,y,z-1 |
1_554 |
22 |
5 |
9141 |
232.2 |
-0.7 |
0.515 |
0 |
1 |
0 |
0.000 |
| 9 |
15 |
|
G |
22 |
8 |
12088 |
◊ |
C |
x-1,y,z+1 |
1_456 |
24 |
10 |
12046 |
198.7 |
-0.5 |
0.395 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[NAG]F:215 |
14 |
1 |
360 |
cf |
F |
x,y,z |
1_555 |
23 |
9 |
11653 |
178.8 |
4.2 |
0.356 |
1 |
0 |
0 |
0.000 |
17 |
|
[NAG]B:215 |
14 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
19 |
8 |
12185 |
178.2 |
3.9 |
0.328 |
2 |
0 |
0 |
0.000 |
| Average: |
178.5 |
4.0 |
0.342 |
2 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[FUC]B:216 |
10 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
26 |
11 |
12185 |
159.8 |
2.7 |
0.406 |
2 |
0 |
0 |
0.000 |
19 |
|
[FUC]F:216 |
10 |
1 |
280 |
f |
F |
x,y,z |
1_555 |
24 |
11 |
11653 |
157.1 |
2.9 |
0.408 |
2 |
0 |
0 |
0.000 |
| Average: |
158.4 |
2.8 |
0.407 |
2 |
0 |
0 |
0.000 |
| 12 |
20 |
|
D |
14 |
5 |
8189 |
◊ |
F |
x,y,z |
1_555 |
22 |
9 |
11653 |
153.4 |
1.8 |
0.740 |
1 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[NAG]F:222 |
12 |
1 |
356 |
cf |
F |
x,y,z |
1_555 |
18 |
6 |
11653 |
151.2 |
3.2 |
0.307 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAG]B:221 |
13 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
16 |
6 |
12185 |
149.9 |
3.0 |
0.273 |
0 |
0 |
0 |
0.000 |
| Average: |
150.5 |
3.1 |
0.290 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[NAG]C:300 |
10 |
1 |
353 |
cf |
C |
x,y,z |
1_555 |
15 |
6 |
12046 |
136.9 |
3.3 |
0.426 |
1 |
0 |
0 |
0.000 |
24 |
|
[NAG]G:300 |
11 |
1 |
355 |
cf |
G |
x,y,z |
1_555 |
14 |
7 |
12088 |
129.7 |
2.7 |
0.324 |
1 |
0 |
0 |
0.000 |
| Average: |
133.3 |
3.0 |
0.375 |
1 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[NAG]B:219 |
12 |
1 |
355 |
cf |
B |
x,y,z |
1_555 |
20 |
6 |
12185 |
135.4 |
3.6 |
0.332 |
3 |
0 |
0 |
0.000 |
| 16 |
26 |
|
[NAG]G:400 |
12 |
1 |
361 |
cf |
G |
x,y,z |
1_555 |
18 |
5 |
12088 |
133.9 |
3.4 |
0.300 |
1 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[NAG]C:400 |
12 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
17 |
6 |
12046 |
133.3 |
3.1 |
0.290 |
1 |
0 |
0 |
0.000 |
| 18 |
28 |
|
[NAG]F:219 |
12 |
1 |
357 |
cf |
F |
x,y,z |
1_555 |
20 |
6 |
11653 |
130.5 |
2.7 |
0.261 |
1 |
0 |
0 |
0.000 |
| 19 |
29 |
|
[FUC]B:220 |
9 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
12185 |
130.1 |
2.6 |
0.383 |
0 |
0 |
0 |
0.000 |
| 20 |
30 |
|
[FUC]F:220 |
9 |
1 |
279 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
11653 |
118.2 |
2.8 |
0.363 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
[NAG]C:500 |
10 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
10 |
4 |
12046 |
100.7 |
2.8 |
0.385 |
1 |
0 |
0 |
0.000 |
32 |
|
[NAG]G:500 |
10 |
1 |
362 |
cf |
G |
x,y,z |
1_555 |
12 |
4 |
12088 |
92.0 |
2.5 |
0.359 |
0 |
0 |
0 |
0.000 |
| Average: |
96.3 |
2.7 |
0.372 |
1 |
0 |
0 |
0.000 |
| 22 |
33 |
|
G |
10 |
4 |
12088 |
◊ |
B |
x-1,y+1,z |
1_465 |
7 |
3 |
12185 |
89.9 |
0.8 |
0.730 |
0 |
1 |
0 |
0.000 |
| 23 |
34 |
|
E |
8 |
2 |
9141 |
◊ |
[NAG]G:301 |
x,y-1,z |
1_545 |
8 |
1 |
351 |
88.6 |
1.1 |
0.228 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
[NAG]C:301 |
8 |
1 |
354 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
3 |
8906 |
86.3 |
1.1 |
0.220 |
0 |
0 |
0 |
0.000 |
| 25 |
36 |
|
E |
8 |
4 |
9141 |
◊ |
[NAG]G:300 |
x,y-1,z |
1_545 |
8 |
1 |
355 |
83.6 |
0.6 |
0.223 |
1 |
0 |
0 |
0.000 |
37 |
|
[NAG]C:300 |
9 |
1 |
353 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
4 |
8906 |
81.7 |
0.6 |
0.201 |
1 |
0 |
0 |
0.000 |
| Average: |
82.6 |
0.6 |
0.212 |
1 |
0 |
0 |
0.000 |
| 26 |
38 |
|
G |
10 |
3 |
12088 |
◊ |
D |
x-1,y,z+1 |
1_456 |
9 |
2 |
8189 |
81.2 |
-0.5 |
0.489 |
0 |
0 |
0 |
0.000 |
| 27 |
39 |
|
[NAG]C:500 |
5 |
1 |
363 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
6 |
8906 |
76.0 |
1.6 |
0.461 |
0 |
0 |
0 |
0.000 |
| 28 |
40 |
|
[NAG]F:223 |
10 |
1 |
362 |
cf |
[NAG]F:222 |
x,y,z |
1_555 |
6 |
1 |
356 |
75.0 |
2.0 |
0.084 |
1 |
0 |
0 |
0.000 |
41 |
|
[NAG]B:222 |
9 |
1 |
359 |
cf |
[NAG]B:221 |
x,y,z |
1_555 |
6 |
1 |
361 |
68.1 |
1.5 |
0.091 |
0 |
0 |
0 |
0.000 |
| Average: |
71.6 |
1.7 |
0.088 |
1 |
0 |
0 |
0.000 |
| 29 |
42 |
|
E |
13 |
6 |
9141 |
◊ |
[NAG]G:500 |
x,y-1,z |
1_545 |
4 |
1 |
362 |
74.3 |
1.8 |
0.564 |
0 |
0 |
0 |
0.000 |
| 30 |
43 |
|
[NAG]G:301 |
8 |
1 |
351 |
cf |
[NAG]G:300 |
x,y,z |
1_555 |
5 |
1 |
355 |
72.1 |
1.6 |
0.116 |
1 |
0 |
0 |
0.000 |
| 31 |
44 |
|
[NAG]F:217 |
4 |
1 |
361 |
f |
F |
x,y,z |
1_555 |
9 |
7 |
11653 |
70.9 |
2.3 |
0.661 |
1 |
0 |
0 |
0.000 |
| 32 |
45 |
|
[NAG]B:217 |
5 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
12185 |
69.5 |
1.9 |
0.513 |
1 |
0 |
0 |
0.000 |
| 33 |
46 |
|
[NAG]F:221 |
9 |
1 |
358 |
cf |
[NAG]F:219 |
x,y,z |
1_555 |
7 |
1 |
357 |
69.2 |
1.7 |
0.063 |
1 |
0 |
0 |
0.000 |
| 34 |
47 |
|
[NAG]C:301 |
9 |
1 |
354 |
cf |
[NAG]C:300 |
x,y,z |
1_555 |
5 |
1 |
353 |
69.1 |
1.5 |
0.104 |
0 |
0 |
0 |
0.000 |
| 35 |
48 |
|
[NAG]F:217 |
8 |
1 |
361 |
cf |
[NAG]F:215 |
x,y,z |
1_555 |
6 |
1 |
360 |
67.4 |
1.5 |
0.100 |
0 |
0 |
0 |
0.000 |
49 |
|
[NAG]B:217 |
9 |
1 |
359 |
cf |
[NAG]B:215 |
x,y,z |
1_555 |
6 |
1 |
359 |
66.9 |
1.7 |
0.084 |
0 |
0 |
0 |
0.000 |
| Average: |
67.2 |
1.6 |
0.092 |
0 |
0 |
0 |
0.000 |
| 36 |
50 |
|
[NAG]C:400 |
7 |
1 |
361 |
◊ |
E |
x,y,z-1 |
1_554 |
10 |
6 |
9141 |
67.3 |
1.4 |
0.321 |
1 |
0 |
0 |
0.000 |
| 37 |
51 |
|
[BMA]B:218 |
7 |
1 |
290 |
cf |
[NAG]B:217 |
x,y,z |
1_555 |
6 |
1 |
359 |
61.0 |
1.5 |
0.096 |
0 |
0 |
0 |
0.000 |
| 38 |
52 |
|
C |
7 |
2 |
12046 |
◊ |
H |
x,y,z-1 |
1_554 |
7 |
2 |
8176 |
60.4 |
0.4 |
0.626 |
2 |
0 |
0 |
0.000 |
| 39 |
53 |
|
[BMA]F:218 |
5 |
1 |
292 |
cf |
[NAG]F:217 |
x,y,z |
1_555 |
6 |
1 |
361 |
59.8 |
1.5 |
0.151 |
0 |
0 |
0 |
0.000 |
| 40 |
54 |
|
[BMA]B:223 |
8 |
1 |
295 |
cf |
[NAG]B:222 |
x,y,z |
1_555 |
5 |
1 |
359 |
59.4 |
1.3 |
0.107 |
0 |
0 |
0 |
0.000 |
| 41 |
55 |
|
[BMA]F:224 |
7 |
1 |
295 |
cf |
[NAG]F:223 |
x,y,z |
1_555 |
4 |
1 |
362 |
58.9 |
1.3 |
0.128 |
0 |
0 |
0 |
0.000 |
| 42 |
56 |
|
G |
8 |
4 |
12088 |
◊ |
A |
x-1,y,z+1 |
1_456 |
5 |
2 |
8906 |
56.9 |
1.1 |
0.668 |
0 |
0 |
0 |
0.000 |
| 43 |
57 |
|
C |
4 |
1 |
12046 |
◊ |
F |
x,y-1,z |
1_545 |
8 |
3 |
11653 |
55.4 |
0.7 |
0.729 |
2 |
0 |
0 |
0.000 |
| 44 |
58 |
|
[FUC]B:216 |
6 |
1 |
279 |
cf |
[NAG]B:215 |
x,y,z |
1_555 |
4 |
1 |
359 |
55.2 |
2.1 |
0.271 |
0 |
0 |
0 |
0.000 |
59 |
|
[FUC]F:216 |
6 |
1 |
280 |
cf |
[NAG]F:215 |
x,y,z |
1_555 |
5 |
1 |
360 |
54.2 |
2.0 |
0.208 |
0 |
0 |
0 |
0.000 |
| Average: |
54.7 |
2.0 |
0.240 |
0 |
0 |
0 |
0.000 |
| 45 |
60 |
|
[FUC]F:220 |
6 |
1 |
279 |
cf |
[NAG]F:219 |
x,y,z |
1_555 |
4 |
1 |
357 |
53.7 |
2.4 |
0.239 |
0 |
0 |
0 |
0.000 |
| 46 |
61 |
|
[FUC]B:220 |
6 |
1 |
280 |
cf |
[NAG]B:219 |
x,y,z |
1_555 |
5 |
1 |
355 |
53.7 |
2.3 |
0.223 |
0 |
0 |
0 |
0.000 |
| 47 |
62 |
|
[NAG]F:221 |
6 |
1 |
358 |
f |
F |
x,y,z |
1_555 |
6 |
2 |
11653 |
49.6 |
0.6 |
0.212 |
0 |
0 |
0 |
0.000 |
| 48 |
63 |
|
[NAG]F:223 |
5 |
1 |
362 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
12088 |
46.9 |
0.8 |
0.309 |
1 |
0 |
0 |
0.000 |
| 49 |
64 |
|
[NAG]B:221 |
6 |
1 |
361 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
12046 |
46.6 |
1.1 |
0.315 |
0 |
0 |
0 |
0.000 |
65 |
|
[NAG]F:222 |
6 |
1 |
356 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
12088 |
45.3 |
1.0 |
0.334 |
1 |
0 |
0 |
0.000 |
| Average: |
46.0 |
1.0 |
0.324 |
1 |
0 |
0 |
0.000 |
| 50 |
66 |
|
C |
6 |
2 |
12046 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
3 |
8189 |
45.9 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
67 |
|
G |
3 |
1 |
12088 |
◊ |
H |
x-1,y,z |
1_455 |
5 |
2 |
8176 |
28.9 |
0.4 |
0.659 |
0 |
0 |
0 |
0.000 |
| Average: |
37.4 |
0.2 |
0.642 |
0 |
0 |
0 |
0.000 |
| 51 |
68 |
|
[BMA]F:224 |
6 |
1 |
295 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
12088 |
40.4 |
1.2 |
0.335 |
0 |
0 |
0 |
0.000 |
| 52 |
69 |
|
[NAG]B:222 |
2 |
1 |
359 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12046 |
35.2 |
0.6 |
0.460 |
1 |
0 |
0 |
0.000 |
| 53 |
70 |
|
[NAG]F:221 |
4 |
1 |
358 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12185 |
32.2 |
1.1 |
0.409 |
0 |
0 |
0 |
0.000 |
| 54 |
71 |
|
[NAG]B:222 |
6 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
12185 |
31.8 |
0.4 |
0.247 |
0 |
0 |
0 |
0.000 |
72 |
|
[NAG]F:223 |
7 |
1 |
362 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
11653 |
29.5 |
0.4 |
0.179 |
0 |
0 |
0 |
0.000 |
| Average: |
30.6 |
0.4 |
0.213 |
0 |
0 |
0 |
0.000 |
| 55 |
73 |
|
[NAG]G:400 |
6 |
1 |
361 |
◊ |
A |
x-1,y,z+1 |
1_456 |
2 |
2 |
8906 |
31.8 |
0.8 |
0.236 |
0 |
0 |
0 |
0.000 |
| 56 |
74 |
|
[FUC]F:220 |
3 |
1 |
279 |
f |
[NAG]F:221 |
x,y,z |
1_555 |
4 |
1 |
358 |
31.4 |
1.5 |
0.267 |
0 |
0 |
0 |
0.000 |
| 57 |
75 |
|
[BMA]B:223 |
5 |
1 |
295 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12046 |
30.2 |
1.1 |
0.369 |
0 |
0 |
0 |
0.000 |
| 58 |
76 |
|
[FUC]F:216 |
2 |
1 |
280 |
f |
[NAG]F:217 |
x,y,z |
1_555 |
6 |
1 |
361 |
26.2 |
1.4 |
0.213 |
0 |
0 |
0 |
0.000 |
| 59 |
77 |
|
[FUC]B:216 |
2 |
1 |
279 |
f |
[NAG]B:217 |
x,y,z |
1_555 |
5 |
1 |
359 |
25.4 |
1.3 |
0.222 |
0 |
0 |
0 |
0.000 |
| 60 |
78 |
|
B |
4 |
3 |
12185 |
◊ |
G |
x,y-1,z |
1_545 |
2 |
1 |
12088 |
19.1 |
0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
| 61 |
79 |
|
D |
1 |
1 |
8189 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
8906 |
18.8 |
-0.6 |
0.183 |
0 |
0 |
0 |
0.000 |
80 |
|
E |
1 |
1 |
9141 |
◊ |
H |
x,y-1,z |
1_545 |
2 |
1 |
8176 |
15.1 |
-0.5 |
0.240 |
0 |
0 |
0 |
0.000 |
| Average: |
16.9 |
-0.5 |
0.211 |
0 |
0 |
0 |
0.000 |
| 62 |
81 |
|
[NAG]B:219 |
2 |
1 |
355 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11653 |
13.9 |
0.4 |
0.422 |
0 |
0 |
0 |
0.000 |
| 63 |
82 |
|
B |
1 |
1 |
12185 |
◊ |
F |
x,y-1,z |
1_545 |
2 |
2 |
11653 |
6.0 |
-0.0 |
0.447 |
0 |
0 |
0 |
0.000 |
| 64 |
83 |
|
[NAG]B:215 |
1 |
1 |
359 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
11653 |
0.8 |
0.1 |
0.321 |
0 |
0 |
0 |
0.000 |
|