| ## |
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 |
166 |
39 |
20041 |
◊ |
C |
x,y,z |
1_555 |
174 |
40 |
20295 |
1575.6 |
-16.6 |
0.209 |
23 |
7 |
0 |
1.000 |
2 |
|
F |
168 |
39 |
20143 |
◊ |
E |
x,y,z |
1_555 |
178 |
40 |
20626 |
1573.3 |
-15.6 |
0.239 |
19 |
4 |
0 |
1.000 |
3 |
|
B |
169 |
39 |
20079 |
◊ |
A |
x,y,z |
1_555 |
168 |
38 |
20129 |
1544.7 |
-15.6 |
0.221 |
21 |
5 |
0 |
1.000 |
4 |
|
H |
161 |
39 |
20393 |
◊ |
G |
x,y,z |
1_555 |
168 |
39 |
20248 |
1510.8 |
-15.7 |
0.215 |
17 |
5 |
0 |
1.000 |
| Average: |
1551.1 |
-15.9 |
0.221 |
20 |
5 |
0 |
1.000 |
| 2 |
5 |
|
H |
99 |
29 |
20393 |
◊ |
E |
x,y,z |
1_555 |
95 |
29 |
20626 |
923.3 |
-8.7 |
0.276 |
4 |
3 |
0 |
0.470 |
6 |
|
F |
106 |
31 |
20143 |
◊ |
G |
x,y,z |
1_555 |
103 |
32 |
20248 |
914.5 |
-8.3 |
0.362 |
7 |
4 |
0 |
0.470 |
7 |
|
B |
96 |
31 |
20079 |
◊ |
C |
x,y,z |
1_555 |
98 |
31 |
20295 |
892.8 |
-6.0 |
0.422 |
8 |
4 |
0 |
0.470 |
8 |
|
D |
103 |
30 |
20041 |
◊ |
A |
x,y,z |
1_555 |
97 |
28 |
20129 |
848.9 |
-5.6 |
0.497 |
5 |
4 |
0 |
0.470 |
| Average: |
894.9 |
-7.1 |
0.389 |
6 |
4 |
0 |
0.470 |
| 3 |
9 |
|
H |
52 |
12 |
20393 |
◊ |
G |
-x-1,y,-z+1 |
2_456 |
64 |
20 |
20248 |
519.9 |
0.6 |
0.795 |
6 |
3 |
0 |
0.000 |
| 4 |
10 |
|
H |
54 |
17 |
20393 |
◊ |
F |
x,y,z |
1_555 |
49 |
16 |
20143 |
481.3 |
-3.7 |
0.468 |
7 |
0 |
0 |
0.140 |
11 |
|
D |
49 |
16 |
20041 |
◊ |
B |
x,y,z |
1_555 |
49 |
17 |
20079 |
461.2 |
-3.8 |
0.436 |
5 |
0 |
0 |
0.140 |
| Average: |
471.3 |
-3.8 |
0.452 |
6 |
0 |
0 |
0.140 |
| 5 |
12 |
|
G |
46 |
14 |
20248 |
◊ |
E |
x,y,z |
1_555 |
49 |
15 |
20626 |
442.9 |
-4.0 |
0.390 |
4 |
0 |
0 |
0.134 |
13 |
|
C |
51 |
16 |
20295 |
◊ |
A |
x,y,z |
1_555 |
43 |
14 |
20129 |
417.9 |
-4.2 |
0.387 |
4 |
0 |
0 |
0.134 |
| Average: |
430.4 |
-4.1 |
0.388 |
4 |
0 |
0 |
0.134 |
| 6 |
14 |
|
F |
48 |
13 |
20143 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
45 |
16 |
20129 |
438.0 |
-2.0 |
0.456 |
4 |
0 |
0 |
0.000 |
| 7 |
15 |
|
G |
44 |
17 |
20248 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
53 |
18 |
20041 |
432.9 |
-2.2 |
0.333 |
2 |
0 |
0 |
0.000 |
| 8 |
16 |
|
A |
55 |
14 |
20129 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
40 |
11 |
20129 |
429.5 |
-0.4 |
0.755 |
8 |
0 |
0 |
0.000 |
| 9 |
17 |
|
H |
41 |
16 |
20393 |
◊ |
H |
-x-1,y,-z+1 |
2_456 |
41 |
16 |
20393 |
381.8 |
1.2 |
0.829 |
2 |
0 |
0 |
0.000 |
| 10 |
18 |
|
[NGT]E:530 |
14 |
1 |
357 |
◊ |
E |
x,y,z |
1_555 |
47 |
15 |
20626 |
238.0 |
1.8 |
0.451 |
3 |
0 |
0 |
0.000 |
19 |
|
[NGT]A:21 |
14 |
1 |
357 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
20129 |
222.3 |
3.3 |
0.559 |
4 |
0 |
0 |
0.000 |
| Average: |
230.2 |
2.6 |
0.505 |
4 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[NGT]B:22 |
14 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
41 |
14 |
20079 |
227.3 |
1.5 |
0.406 |
4 |
0 |
0 |
0.037 |
| 12 |
21 |
|
[NGT]D:24 |
14 |
1 |
358 |
f |
D |
x,y,z |
1_555 |
41 |
12 |
20041 |
227.0 |
3.2 |
0.551 |
3 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[NGT]F:26 |
13 |
1 |
357 |
◊ |
F |
x,y,z |
1_555 |
38 |
12 |
20143 |
223.8 |
3.3 |
0.585 |
3 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[NGT]C:530 |
13 |
1 |
356 |
◊ |
C |
x,y,z |
1_555 |
41 |
13 |
20295 |
222.8 |
3.4 |
0.600 |
3 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[NGT]G:533 |
14 |
1 |
356 |
◊ |
G |
x,y,z |
1_555 |
42 |
12 |
20248 |
222.5 |
2.3 |
0.490 |
3 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[NGT]H:28 |
14 |
1 |
355 |
◊ |
H |
x,y,z |
1_555 |
37 |
11 |
20393 |
218.9 |
2.5 |
0.512 |
2 |
0 |
0 |
0.000 |
| 17 |
26 |
|
E |
21 |
7 |
20626 |
◊ |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
24 |
7 |
20079 |
211.0 |
0.3 |
0.736 |
4 |
0 |
0 |
0.000 |
| 18 |
27 |
|
C |
28 |
12 |
20295 |
◊ |
G |
-x-1/2,y-1/2,-z |
4_445 |
26 |
11 |
20248 |
197.0 |
-0.5 |
0.674 |
2 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[NAG]C:12 |
14 |
1 |
356 |
cf |
C |
x,y,z |
1_555 |
26 |
8 |
20295 |
176.7 |
4.6 |
0.447 |
1 |
0 |
0 |
0.000 |
| 20 |
29 |
|
D |
25 |
10 |
20041 |
◊ |
C |
-x,y,-z |
2_555 |
17 |
8 |
20295 |
175.8 |
-1.2 |
0.539 |
2 |
1 |
0 |
0.000 |
| 21 |
30 |
|
B |
20 |
9 |
20079 |
◊ |
E |
-x-1/2,y-1/2,-z+1 |
4_446 |
21 |
9 |
20626 |
172.7 |
0.1 |
0.655 |
4 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[NAG]G:530 |
14 |
1 |
358 |
cf |
G |
x,y,z |
1_555 |
28 |
8 |
20248 |
172.3 |
4.0 |
0.424 |
2 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[NAG]A:4 |
14 |
1 |
357 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
20129 |
164.1 |
3.9 |
0.393 |
1 |
0 |
0 |
0.000 |
| 24 |
33 |
|
D |
19 |
8 |
20041 |
◊ |
D |
-x,y,-z |
2_555 |
19 |
8 |
20041 |
162.7 |
-2.1 |
0.385 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[NAG]E:17 |
13 |
1 |
351 |
cf |
E |
x,y,z |
1_555 |
29 |
6 |
20626 |
161.5 |
4.7 |
0.502 |
1 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[NAG]H:26 |
12 |
1 |
352 |
cf |
H |
x,y,z |
1_555 |
25 |
7 |
20393 |
159.7 |
3.2 |
0.405 |
1 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[NAG]B:7 |
12 |
1 |
356 |
f |
B |
x,y,z |
1_555 |
23 |
7 |
20079 |
149.5 |
3.1 |
0.381 |
1 |
0 |
0 |
0.000 |
| 28 |
37 |
|
[NAG]F:19 |
11 |
1 |
354 |
cf |
F |
x,y,z |
1_555 |
20 |
6 |
20143 |
148.3 |
3.7 |
0.515 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
[NAG]D:15 |
11 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
18 |
7 |
20041 |
139.0 |
2.4 |
0.321 |
0 |
0 |
0 |
0.000 |
| 30 |
39 |
|
G |
17 |
7 |
20248 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
16 |
6 |
20295 |
133.1 |
1.3 |
0.856 |
0 |
0 |
0 |
0.000 |
| 31 |
40 |
|
[NAG]C:10 |
11 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
16 |
5 |
20295 |
132.8 |
3.3 |
0.424 |
0 |
0 |
0 |
0.000 |
| 32 |
41 |
|
[NAG]G:21 |
10 |
1 |
354 |
cf |
G |
x,y,z |
1_555 |
16 |
5 |
20248 |
127.5 |
3.4 |
0.471 |
0 |
0 |
0 |
0.000 |
| 33 |
42 |
|
[NAG]A:1 |
9 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
16 |
4 |
20129 |
123.3 |
2.9 |
0.502 |
0 |
0 |
0 |
0.000 |
| 34 |
43 |
|
C |
13 |
5 |
20295 |
◊ |
H |
-x-1/2,y-1/2,-z+1 |
4_446 |
11 |
3 |
20393 |
104.0 |
-1.6 |
0.337 |
0 |
0 |
0 |
0.000 |
| 35 |
44 |
|
F |
7 |
4 |
20143 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
8 |
5 |
20041 |
83.4 |
-1.1 |
0.365 |
0 |
0 |
0 |
0.000 |
| 36 |
45 |
|
G |
11 |
6 |
20248 |
◊ |
G |
-x-1,y,-z |
2_455 |
10 |
5 |
20248 |
82.2 |
0.2 |
0.732 |
0 |
0 |
0 |
0.000 |
| 37 |
46 |
|
[NAG]A:5 |
9 |
1 |
354 |
cf |
[NAG]A:4 |
x,y,z |
1_555 |
6 |
1 |
357 |
75.5 |
1.9 |
0.115 |
1 |
0 |
0 |
0.000 |
| 38 |
47 |
|
[NAG]F:20 |
8 |
1 |
357 |
cf |
[NAG]F:19 |
x,y,z |
1_555 |
7 |
1 |
354 |
74.7 |
1.9 |
0.140 |
1 |
0 |
0 |
0.000 |
| 39 |
48 |
|
[NAG]C:13 |
9 |
1 |
360 |
cf |
[NAG]C:12 |
x,y,z |
1_555 |
7 |
1 |
356 |
73.7 |
1.8 |
0.108 |
1 |
0 |
0 |
0.000 |
49 |
|
[NAG]E:18 |
9 |
1 |
357 |
cf |
[NAG]E:17 |
x,y,z |
1_555 |
6 |
1 |
351 |
69.9 |
1.5 |
0.095 |
0 |
0 |
0 |
0.000 |
| Average: |
71.8 |
1.7 |
0.102 |
1 |
0 |
0 |
0.000 |
| 40 |
50 |
|
[NAG]G:22 |
8 |
1 |
359 |
cf |
[NAG]G:21 |
x,y,z |
1_555 |
6 |
1 |
354 |
73.2 |
1.9 |
0.121 |
1 |
0 |
0 |
0.000 |
| 41 |
51 |
|
[NAG]A:2 |
9 |
1 |
356 |
cf |
[NAG]A:1 |
x,y,z |
1_555 |
6 |
1 |
356 |
70.3 |
1.5 |
0.095 |
0 |
0 |
0 |
0.000 |
52 |
|
[NAG]B:8 |
7 |
1 |
353 |
cf |
[NAG]B:7 |
x,y,z |
1_555 |
7 |
1 |
356 |
64.8 |
1.0 |
0.096 |
0 |
0 |
0 |
0.000 |
| Average: |
67.6 |
1.3 |
0.096 |
0 |
0 |
0 |
0.000 |
| 42 |
53 |
|
[NAG]H:27 |
7 |
1 |
359 |
cf |
[NAG]H:26 |
x,y,z |
1_555 |
7 |
1 |
352 |
70.2 |
1.6 |
0.124 |
0 |
0 |
0 |
0.000 |
| 43 |
54 |
|
[NAG]D:16 |
7 |
1 |
357 |
cf |
[NAG]D:15 |
x,y,z |
1_555 |
6 |
1 |
359 |
69.8 |
1.6 |
0.133 |
0 |
0 |
0 |
0.000 |
| 44 |
55 |
|
[BMA]B:9 |
7 |
1 |
297 |
cf |
[NAG]B:8 |
x,y,z |
1_555 |
7 |
1 |
353 |
69.2 |
1.1 |
0.110 |
2 |
0 |
0 |
0.000 |
| 45 |
56 |
|
[NAG]C:11 |
9 |
1 |
356 |
cf |
[NAG]C:10 |
x,y,z |
1_555 |
6 |
1 |
360 |
68.4 |
1.4 |
0.089 |
1 |
0 |
0 |
0.000 |
| 46 |
57 |
|
[NAG]G:531 |
7 |
1 |
355 |
cf |
[NAG]G:530 |
x,y,z |
1_555 |
7 |
1 |
358 |
67.4 |
1.8 |
0.133 |
0 |
0 |
0 |
0.000 |
| 47 |
58 |
|
[BMA]G:532 |
7 |
1 |
291 |
cf |
[NAG]G:531 |
x,y,z |
1_555 |
5 |
1 |
355 |
65.5 |
1.2 |
0.113 |
0 |
0 |
0 |
0.000 |
| 48 |
59 |
|
[BMA]A:3 |
5 |
1 |
294 |
cf |
[NAG]A:2 |
x,y,z |
1_555 |
5 |
1 |
356 |
65.5 |
1.4 |
0.156 |
1 |
0 |
0 |
0.000 |
| 49 |
60 |
|
[BMA]A:6 |
6 |
1 |
292 |
cf |
[NAG]A:5 |
x,y,z |
1_555 |
6 |
1 |
354 |
64.7 |
1.3 |
0.153 |
0 |
0 |
0 |
0.000 |
| 50 |
61 |
|
[BMA]C:14 |
8 |
1 |
293 |
cf |
[NAG]C:13 |
x,y,z |
1_555 |
5 |
1 |
360 |
62.0 |
1.7 |
0.131 |
1 |
0 |
0 |
0.000 |
| 51 |
62 |
|
[NAG]G:531 |
7 |
1 |
355 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
20248 |
60.2 |
1.5 |
0.344 |
0 |
0 |
0 |
0.000 |
| 52 |
63 |
|
[NAG]C:13 |
7 |
1 |
360 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
20295 |
55.3 |
1.2 |
0.377 |
0 |
0 |
0 |
0.000 |
| 53 |
64 |
|
F |
5 |
3 |
20143 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
20079 |
54.9 |
-0.2 |
0.573 |
0 |
0 |
0 |
0.000 |
| 54 |
65 |
|
[NAG]A:5 |
7 |
1 |
354 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
20129 |
42.5 |
1.2 |
0.357 |
0 |
0 |
0 |
0.000 |
| 55 |
66 |
|
[NGT]H:28 |
3 |
1 |
355 |
f |
G |
x,y,z |
1_555 |
4 |
1 |
20248 |
34.4 |
0.7 |
0.544 |
1 |
0 |
0 |
0.000 |
| 56 |
67 |
|
B |
9 |
2 |
20079 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
20129 |
31.3 |
-0.7 |
0.429 |
0 |
0 |
0 |
0.000 |
| 57 |
68 |
|
G |
3 |
1 |
20248 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
5 |
2 |
20295 |
28.6 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
| 58 |
69 |
|
[NGT]E:530 |
2 |
1 |
357 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
20143 |
26.9 |
0.8 |
0.618 |
1 |
0 |
0 |
0.000 |
70 |
|
[NGT]A:21 |
2 |
1 |
357 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
20079 |
18.8 |
0.6 |
0.582 |
0 |
0 |
0 |
0.000 |
| Average: |
22.8 |
0.7 |
0.600 |
1 |
0 |
0 |
0.000 |
| 59 |
71 |
|
[NAG]F:20 |
3 |
1 |
357 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
20143 |
25.4 |
0.5 |
0.384 |
0 |
0 |
0 |
0.000 |
| 60 |
72 |
|
[NAG]D:16 |
4 |
1 |
357 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
20041 |
21.9 |
0.2 |
0.301 |
0 |
0 |
0 |
0.000 |
| 61 |
73 |
|
[NAG]A:2 |
3 |
1 |
356 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
20129 |
21.5 |
0.2 |
0.245 |
0 |
0 |
0 |
0.000 |
| 62 |
74 |
|
[NGT]B:22 |
2 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20129 |
20.7 |
0.6 |
0.552 |
1 |
0 |
0 |
0.000 |
75 |
|
[NGT]D:24 |
2 |
1 |
358 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
20295 |
15.2 |
0.5 |
0.558 |
0 |
0 |
0 |
0.000 |
| Average: |
17.9 |
0.5 |
0.555 |
1 |
0 |
0 |
0.000 |
| 63 |
76 |
|
B |
4 |
2 |
20079 |
◊ |
H |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
2 |
20393 |
20.5 |
0.9 |
0.898 |
0 |
0 |
0 |
0.000 |
| 64 |
77 |
|
[NGT]C:530 |
1 |
1 |
356 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
20041 |
20.4 |
0.5 |
0.625 |
1 |
0 |
0 |
0.000 |
| 65 |
78 |
|
[NGT]F:26 |
2 |
1 |
357 |
f |
E |
x,y,z |
1_555 |
3 |
1 |
20626 |
20.0 |
0.6 |
0.546 |
0 |
0 |
0 |
0.000 |
| 66 |
79 |
|
[NAG]H:27 |
5 |
1 |
359 |
f |
H |
x,y,z |
1_555 |
2 |
1 |
20393 |
20.0 |
-0.0 |
0.170 |
0 |
0 |
0 |
0.000 |
| 67 |
80 |
|
E |
3 |
1 |
20626 |
◊ |
[NAG]D:16 |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
1 |
357 |
13.0 |
0.4 |
0.449 |
0 |
0 |
0 |
0.000 |
| 68 |
81 |
|
F |
2 |
1 |
20143 |
◊ |
E |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
1 |
20626 |
12.8 |
0.4 |
0.797 |
0 |
0 |
0 |
0.000 |
| 69 |
82 |
|
[NGT]G:533 |
1 |
1 |
356 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
20393 |
12.4 |
0.5 |
0.659 |
0 |
0 |
0 |
0.000 |
| 70 |
83 |
|
[NAG]E:18 |
2 |
1 |
357 |
f |
E |
x,y,z |
1_555 |
2 |
2 |
20626 |
10.5 |
0.3 |
0.465 |
0 |
0 |
0 |
0.000 |
| 71 |
84 |
|
[NAG]C:11 |
2 |
1 |
356 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
20295 |
10.0 |
-0.0 |
0.275 |
0 |
0 |
0 |
0.003 |
| 72 |
85 |
|
E |
1 |
1 |
20626 |
◊ |
[NAG]B:8 |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
1 |
353 |
9.6 |
0.1 |
0.210 |
0 |
0 |
0 |
0.000 |
| 73 |
86 |
|
[NAG]C:13 |
3 |
1 |
360 |
◊ |
G |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
20248 |
8.8 |
0.1 |
0.227 |
0 |
0 |
0 |
0.000 |
| 74 |
87 |
|
E |
1 |
1 |
20626 |
◊ |
[BMA]B:9 |
-x-1/2,y-1/2,-z+1 |
4_446 |
1 |
1 |
297 |
1.9 |
0.0 |
0.278 |
0 |
0 |
0 |
0.000 |
| 75 |
88 |
|
E |
1 |
1 |
20626 |
◊ |
D |
-x-1/2,y-1/2,-z+1 |
4_446 |
1 |
1 |
20041 |
0.7 |
-0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
|