| ## |
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 |
|
A |
183 |
53 |
14910 |
x |
A |
-y+1/2,x+1/2,z |
2_555 |
172 |
46 |
14910 |
1632.1 |
-15.0 |
0.070 |
19 |
5 |
0 |
0.505 |
2 |
|
B |
171 |
44 |
14879 |
x |
B |
-y+1/2,x+1/2,z |
2_555 |
181 |
52 |
14879 |
1619.9 |
-15.2 |
0.073 |
17 |
5 |
0 |
0.505 |
| Average: |
1626.0 |
-15.1 |
0.071 |
18 |
5 |
0 |
0.505 |
| 2 |
3 |
|
A |
50 |
18 |
14910 |
◊ |
A |
-y,-x,-z-1 |
8_554 |
48 |
18 |
14910 |
419.3 |
-1.5 |
0.490 |
6 |
4 |
0 |
0.000 |
| 3 |
4 |
|
B |
39 |
15 |
14879 |
◊ |
B |
-y,-x,-z |
8_555 |
38 |
15 |
14879 |
328.8 |
-0.7 |
0.562 |
4 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[MPD]A:511 |
7 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
14910 |
175.4 |
-11.4 |
0.682 |
3 |
0 |
0 |
0.271 |
6 |
|
[MPD]B:513 |
7 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
14879 |
174.5 |
-11.5 |
0.685 |
3 |
0 |
0 |
0.271 |
| Average: |
175.0 |
-11.5 |
0.683 |
3 |
0 |
0 |
0.271 |
| 5 |
7 |
|
[MPD]A:513 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
14910 |
171.3 |
-11.5 |
0.658 |
5 |
0 |
0 |
0.293 |
8 |
|
[MPD]B:515 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
14879 |
171.0 |
-11.6 |
0.651 |
5 |
0 |
0 |
0.293 |
| Average: |
171.2 |
-11.6 |
0.654 |
5 |
0 |
0 |
0.293 |
| 6 |
9 |
|
[NAG]B:506 |
11 |
1 |
361 |
◊ |
B |
-y+1/2,x+1/2,z |
2_555 |
22 |
9 |
14879 |
142.2 |
2.9 |
0.358 |
2 |
0 |
0 |
0.000 |
10 |
|
A |
22 |
9 |
14910 |
◊ |
[NAG]A:506 |
-y+1/2,x+1/2,z |
2_555 |
8 |
1 |
361 |
138.0 |
2.7 |
0.442 |
2 |
0 |
0 |
0.000 |
| Average: |
140.1 |
2.8 |
0.400 |
2 |
0 |
0 |
0.000 |
| 7 |
11 |
|
[GOL]A:512 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
14910 |
138.7 |
-0.6 |
0.499 |
1 |
0 |
0 |
0.021 |
12 |
|
[GOL]B:514 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
14879 |
137.8 |
-0.5 |
0.514 |
1 |
0 |
0 |
0.021 |
| Average: |
138.2 |
-0.5 |
0.506 |
1 |
0 |
0 |
0.021 |
| 8 |
13 |
|
[MAN]B:508 |
9 |
1 |
289 |
◊ |
B |
-y+1/2,x+1/2,z |
2_555 |
21 |
9 |
14879 |
101.0 |
1.9 |
0.355 |
0 |
0 |
0 |
0.000 |
14 |
|
A |
18 |
8 |
14910 |
◊ |
[MAN]A:508 |
-y+1/2,x+1/2,z |
2_555 |
9 |
1 |
288 |
98.9 |
1.9 |
0.351 |
0 |
0 |
0 |
0.000 |
| Average: |
99.9 |
1.9 |
0.353 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[MAN]B:509 |
8 |
1 |
291 |
◊ |
B |
-y+1/2,x+1/2,z |
2_555 |
11 |
5 |
14879 |
99.4 |
1.3 |
0.296 |
1 |
0 |
0 |
0.000 |
16 |
|
A |
12 |
5 |
14910 |
◊ |
[MAN]A:509 |
-y+1/2,x+1/2,z |
2_555 |
8 |
1 |
292 |
98.5 |
1.3 |
0.289 |
1 |
0 |
0 |
0.000 |
| Average: |
99.0 |
1.3 |
0.292 |
1 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[NAG]B:503 |
9 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
14910 |
95.1 |
1.6 |
0.259 |
2 |
0 |
0 |
0.000 |
18 |
|
[NAG]A:503 |
9 |
1 |
360 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
14879 |
95.0 |
1.7 |
0.260 |
2 |
0 |
0 |
0.000 |
| Average: |
95.0 |
1.6 |
0.259 |
2 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[BMA]B:507 |
8 |
1 |
286 |
◊ |
B |
-y+1/2,x+1/2,z |
2_555 |
17 |
5 |
14879 |
92.4 |
1.7 |
0.337 |
2 |
0 |
0 |
0.000 |
20 |
|
A |
16 |
5 |
14910 |
◊ |
[BMA]A:507 |
-y+1/2,x+1/2,z |
2_555 |
8 |
1 |
290 |
91.1 |
1.8 |
0.325 |
2 |
0 |
0 |
0.000 |
| Average: |
91.7 |
1.7 |
0.331 |
2 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[MPD]B:512 |
5 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
14879 |
90.8 |
-5.5 |
0.451 |
0 |
0 |
0 |
0.117 |
| 13 |
22 |
|
A |
12 |
3 |
14910 |
f |
[MPD]B:511 |
-y+1/2,x+1/2,z |
2_555 |
5 |
1 |
278 |
89.3 |
-5.4 |
0.453 |
1 |
0 |
0 |
0.122 |
| 14 |
23 |
|
[NAG]B:502 |
9 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
11 |
4 |
14879 |
86.3 |
1.9 |
0.331 |
0 |
0 |
0 |
0.000 |
24 |
|
[NAG]A:502 |
9 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
10 |
3 |
14910 |
85.2 |
1.9 |
0.330 |
0 |
0 |
0 |
0.000 |
| Average: |
85.7 |
1.9 |
0.331 |
0 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[NAG]B:505 |
6 |
1 |
359 |
◊ |
B |
-y+1/2,x+1/2,z |
2_555 |
18 |
7 |
14879 |
83.7 |
1.2 |
0.376 |
1 |
0 |
0 |
0.000 |
26 |
|
A |
20 |
7 |
14910 |
◊ |
[NAG]A:505 |
-y+1/2,x+1/2,z |
2_555 |
7 |
1 |
360 |
83.1 |
1.4 |
0.349 |
2 |
0 |
0 |
0.000 |
| Average: |
83.4 |
1.3 |
0.362 |
2 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[NAG]B:502 |
8 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
14910 |
83.5 |
1.3 |
0.285 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAG]A:502 |
7 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
14879 |
82.4 |
1.3 |
0.327 |
1 |
0 |
0 |
0.000 |
| Average: |
82.9 |
1.3 |
0.306 |
1 |
0 |
0 |
0.000 |
| 17 |
29 |
|
[NAG]A:505 |
7 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
8 |
2 |
14910 |
82.3 |
2.8 |
0.482 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]B:505 |
7 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
9 |
2 |
14879 |
80.8 |
2.7 |
0.482 |
0 |
0 |
0 |
0.000 |
| Average: |
81.6 |
2.8 |
0.482 |
0 |
0 |
0 |
0.000 |
| 18 |
31 |
|
[MAN]B:510 |
6 |
1 |
290 |
◊ |
B |
-y+1/2,x+1/2,z |
2_555 |
9 |
4 |
14879 |
81.4 |
2.6 |
0.540 |
1 |
0 |
0 |
0.000 |
32 |
|
A |
9 |
5 |
14910 |
◊ |
[MAN]A:510 |
-y+1/2,x+1/2,z |
2_555 |
6 |
1 |
291 |
80.9 |
2.6 |
0.533 |
1 |
0 |
0 |
0.000 |
| Average: |
81.2 |
2.6 |
0.537 |
1 |
0 |
0 |
0.000 |
| 19 |
33 |
|
[NAG]B:506 |
9 |
1 |
361 |
cf |
[NAG]B:505 |
x,y,z |
1_555 |
6 |
1 |
359 |
76.4 |
2.1 |
0.130 |
0 |
0 |
0 |
0.000 |
34 |
|
[NAG]A:506 |
9 |
1 |
361 |
cf |
[NAG]A:505 |
x,y,z |
1_555 |
7 |
1 |
360 |
75.0 |
2.2 |
0.096 |
0 |
0 |
0 |
0.000 |
| Average: |
75.7 |
2.1 |
0.113 |
0 |
0 |
0 |
0.000 |
| 20 |
35 |
|
[NAG]A:503 |
9 |
1 |
360 |
cf |
[NAG]A:502 |
x,y,z |
1_555 |
6 |
1 |
361 |
69.0 |
1.5 |
0.088 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAG]B:503 |
9 |
1 |
360 |
cf |
[NAG]B:502 |
x,y,z |
1_555 |
6 |
1 |
363 |
67.9 |
1.5 |
0.084 |
0 |
0 |
0 |
0.000 |
| Average: |
68.4 |
1.5 |
0.086 |
0 |
0 |
0 |
0.000 |
| 21 |
37 |
|
[MPD]B:511 |
5 |
1 |
278 |
◊ |
[NAG]A:502 |
x,y,z |
1_555 |
10 |
1 |
361 |
68.3 |
-2.0 |
0.264 |
1 |
0 |
0 |
0.050 |
| 22 |
38 |
|
A |
10 |
2 |
14910 |
◊ |
[MPD]B:512 |
-y+1/2,x+1/2,z |
2_555 |
5 |
1 |
279 |
65.0 |
-3.7 |
0.611 |
0 |
0 |
0 |
0.004 |
| 23 |
39 |
|
[NAG]B:502 |
10 |
1 |
363 |
◊ |
[MPD]B:512 |
-y+1/2,x+1/2,z |
2_555 |
5 |
1 |
279 |
64.7 |
-1.9 |
0.264 |
2 |
0 |
0 |
0.058 |
| 24 |
40 |
|
[BMA]A:504 |
6 |
1 |
291 |
cf |
[NAG]A:503 |
x,y,z |
1_555 |
6 |
1 |
360 |
62.9 |
1.3 |
0.092 |
1 |
0 |
0 |
0.000 |
41 |
|
[BMA]B:504 |
6 |
1 |
288 |
cf |
[NAG]B:503 |
x,y,z |
1_555 |
6 |
1 |
360 |
61.5 |
1.3 |
0.108 |
1 |
0 |
0 |
0.000 |
| Average: |
62.2 |
1.3 |
0.100 |
1 |
0 |
0 |
0.000 |
| 25 |
42 |
|
[MPD]B:511 |
5 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
14879 |
62.8 |
-3.6 |
0.617 |
0 |
0 |
0 |
0.004 |
| 26 |
43 |
|
[MAN]A:509 |
6 |
1 |
292 |
cf |
[MAN]A:508 |
x,y,z |
1_555 |
5 |
1 |
288 |
60.6 |
2.5 |
0.294 |
1 |
0 |
0 |
0.000 |
44 |
|
[MAN]B:509 |
6 |
1 |
291 |
cf |
[MAN]B:508 |
x,y,z |
1_555 |
5 |
1 |
289 |
60.2 |
2.4 |
0.292 |
1 |
0 |
0 |
0.000 |
| Average: |
60.4 |
2.4 |
0.293 |
1 |
0 |
0 |
0.000 |
| 27 |
45 |
|
[BMA]A:507 |
6 |
1 |
290 |
cf |
[NAG]A:506 |
x,y,z |
1_555 |
6 |
1 |
361 |
59.9 |
1.4 |
0.128 |
0 |
0 |
0 |
0.000 |
46 |
|
[BMA]B:507 |
6 |
1 |
286 |
cf |
[NAG]B:506 |
x,y,z |
1_555 |
6 |
1 |
361 |
59.2 |
1.3 |
0.130 |
0 |
0 |
0 |
0.000 |
| Average: |
59.6 |
1.4 |
0.129 |
0 |
0 |
0 |
0.000 |
| 28 |
47 |
|
[MAN]B:510 |
8 |
1 |
290 |
cf |
[MAN]B:508 |
x,y,z |
1_555 |
5 |
1 |
289 |
58.1 |
2.3 |
0.190 |
0 |
0 |
0 |
0.000 |
48 |
|
[MAN]A:510 |
8 |
1 |
291 |
cf |
[MAN]A:508 |
x,y,z |
1_555 |
5 |
1 |
288 |
56.7 |
2.3 |
0.172 |
0 |
0 |
0 |
0.000 |
| Average: |
57.4 |
2.3 |
0.181 |
0 |
0 |
0 |
0.000 |
| 29 |
49 |
|
[MAN]A:508 |
6 |
1 |
288 |
cf |
[BMA]A:507 |
x,y,z |
1_555 |
6 |
1 |
290 |
54.5 |
2.4 |
0.235 |
0 |
0 |
0 |
0.000 |
50 |
|
[MAN]B:508 |
6 |
1 |
289 |
cf |
[BMA]B:507 |
x,y,z |
1_555 |
6 |
1 |
286 |
54.4 |
2.4 |
0.235 |
0 |
0 |
0 |
0.000 |
| Average: |
54.5 |
2.4 |
0.235 |
0 |
0 |
0 |
0.000 |
| 30 |
51 |
|
[CA]B:501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
14879 |
46.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.254 |
52 |
|
[CA]A:501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
14910 |
46.5 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.254 |
| Average: |
46.6 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.254 |
| 31 |
53 |
|
[NAG]B:503 |
5 |
1 |
360 |
◊ |
[MPD]B:512 |
-y+1/2,x+1/2,z |
2_555 |
3 |
1 |
279 |
44.3 |
-1.1 |
0.478 |
1 |
0 |
0 |
0.033 |
| 32 |
54 |
|
[MPD]B:511 |
3 |
1 |
278 |
◊ |
[NAG]A:503 |
x,y,z |
1_555 |
5 |
1 |
360 |
44.0 |
-1.1 |
0.478 |
1 |
0 |
0 |
0.032 |
| 33 |
55 |
|
A |
2 |
1 |
14910 |
◊ |
B |
-y+1/2,x+1/2,z |
2_555 |
3 |
1 |
14879 |
43.0 |
-1.4 |
0.039 |
0 |
0 |
0 |
0.001 |
| 34 |
56 |
|
[GOL]B:514 |
4 |
1 |
220 |
◊ |
B |
-y+1/2,x+1/2,z |
2_555 |
4 |
2 |
14879 |
41.3 |
1.3 |
0.789 |
3 |
0 |
0 |
0.001 |
| 35 |
57 |
|
A |
3 |
1 |
14910 |
◊ |
[GOL]A:512 |
-y+1/2,x+1/2,z |
2_555 |
4 |
1 |
220 |
40.8 |
1.3 |
0.793 |
3 |
0 |
0 |
0.000 |
| 36 |
58 |
|
A |
3 |
1 |
14910 |
◊ |
[NAG]A:502 |
-y+1/2,x+1/2,z |
2_555 |
4 |
1 |
361 |
35.5 |
0.5 |
0.359 |
1 |
0 |
0 |
0.000 |
59 |
|
[NAG]B:502 |
4 |
1 |
363 |
◊ |
B |
-y+1/2,x+1/2,z |
2_555 |
3 |
1 |
14879 |
35.2 |
0.5 |
0.365 |
1 |
0 |
0 |
0.000 |
| Average: |
35.3 |
0.5 |
0.362 |
1 |
0 |
0 |
0.000 |
| 37 |
60 |
|
B |
5 |
2 |
14879 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
14910 |
23.0 |
0.7 |
0.803 |
0 |
0 |
0 |
0.000 |
| 38 |
61 |
|
A |
4 |
2 |
14910 |
◊ |
A |
-x,-y+1,z |
3_565 |
5 |
2 |
14910 |
19.9 |
-0.6 |
0.349 |
0 |
0 |
0 |
0.006 |
62 |
|
B |
4 |
2 |
14879 |
◊ |
B |
-x,-y+1,z |
3_565 |
4 |
2 |
14879 |
18.4 |
-0.5 |
0.364 |
0 |
0 |
0 |
0.006 |
| Average: |
19.2 |
-0.5 |
0.357 |
0 |
0 |
0 |
0.006 |
| 39 |
63 |
|
[MAN]A:509 |
2 |
1 |
292 |
f |
[BMA]A:507 |
x,y,z |
1_555 |
2 |
1 |
290 |
17.0 |
0.7 |
0.288 |
0 |
0 |
0 |
0.000 |
64 |
|
[MAN]B:509 |
2 |
1 |
291 |
f |
[BMA]B:507 |
x,y,z |
1_555 |
2 |
1 |
286 |
16.8 |
0.7 |
0.268 |
0 |
0 |
0 |
0.000 |
| Average: |
16.9 |
0.7 |
0.278 |
0 |
0 |
0 |
0.000 |
| 40 |
65 |
|
[MPD]B:511 |
3 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14910 |
11.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 41 |
66 |
|
B |
1 |
1 |
14879 |
◊ |
[MPD]B:512 |
-y+1/2,x+1/2,z |
2_555 |
4 |
1 |
279 |
9.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 42 |
67 |
|
B |
1 |
1 |
14879 |
◊ |
A |
-y+1/2,x+1/2,z |
2_555 |
1 |
1 |
14910 |
5.5 |
0.4 |
0.886 |
0 |
0 |
0 |
0.000 |
| 43 |
68 |
|
[BMA]A:504 |
2 |
1 |
291 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14879 |
5.2 |
0.1 |
0.324 |
0 |
0 |
0 |
0.000 |
69 |
|
[BMA]B:504 |
2 |
1 |
288 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
14910 |
4.5 |
0.1 |
0.329 |
0 |
0 |
0 |
0.000 |
| Average: |
4.8 |
0.1 |
0.326 |
0 |
0 |
0 |
0.000 |
| 44 |
70 |
|
[MAN]B:508 |
1 |
1 |
289 |
f |
[NAG]B:506 |
x,y,z |
1_555 |
1 |
1 |
361 |
2.0 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
71 |
|
[MAN]A:508 |
1 |
1 |
288 |
f |
[NAG]A:506 |
x,y,z |
1_555 |
1 |
1 |
361 |
1.8 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
| Average: |
1.9 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|