| ## |
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 |
87 |
24 |
29651 |
◊ |
B |
x,y,z |
1_555 |
84 |
24 |
29416 |
799.9 |
-10.7 |
0.021 |
10 |
0 |
0 |
0.000 |
2 |
|
A |
91 |
27 |
29802 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
87 |
26 |
28686 |
795.5 |
-9.0 |
0.052 |
7 |
0 |
0 |
0.000 |
| Average: |
797.7 |
-9.9 |
0.037 |
9 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
51 |
19 |
29416 |
◊ |
C |
x-1,y,z |
1_455 |
58 |
22 |
29651 |
475.7 |
-0.9 |
0.501 |
4 |
0 |
0 |
0.000 |
4 |
|
D |
42 |
17 |
28686 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
42 |
17 |
29802 |
359.5 |
0.4 |
0.578 |
4 |
4 |
0 |
0.000 |
| Average: |
417.6 |
-0.3 |
0.539 |
4 |
2 |
0 |
0.000 |
| 3 |
5 |
|
A |
49 |
12 |
29802 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
48 |
14 |
29416 |
447.8 |
-2.3 |
0.329 |
14 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
51 |
16 |
29416 |
◊ |
A |
x,y,z |
1_555 |
48 |
18 |
29802 |
441.0 |
1.8 |
0.746 |
7 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
45 |
15 |
29802 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
38 |
14 |
29802 |
350.8 |
1.0 |
0.674 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[KTL]D:5001 |
26 |
1 |
547 |
f |
D |
x,y,z |
1_555 |
54 |
22 |
28686 |
346.7 |
-0.9 |
0.419 |
0 |
0 |
0 |
0.000 |
9 |
|
[KTL]B:5001 |
25 |
1 |
552 |
f |
B |
x,y,z |
1_555 |
53 |
21 |
29416 |
339.3 |
-0.4 |
0.430 |
0 |
0 |
0 |
0.000 |
| Average: |
343.0 |
-0.6 |
0.425 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
37 |
11 |
29416 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
39 |
12 |
29651 |
327.0 |
1.5 |
0.733 |
6 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
26 |
8 |
29802 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
34 |
9 |
29651 |
299.2 |
1.5 |
0.708 |
3 |
2 |
0 |
0.000 |
| 9 |
12 |
|
A |
27 |
8 |
29802 |
x |
A |
x-1,y,z |
1_455 |
25 |
9 |
29802 |
248.7 |
-2.2 |
0.223 |
0 |
0 |
0 |
0.000 |
13 |
|
C |
20 |
7 |
29651 |
x |
C |
x-1,y,z |
1_455 |
21 |
8 |
29651 |
173.2 |
-1.2 |
0.309 |
0 |
0 |
0 |
0.000 |
| Average: |
211.0 |
-1.7 |
0.266 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
D |
26 |
10 |
28686 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
32 |
12 |
29416 |
242.2 |
-1.4 |
0.315 |
2 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[NAG]C:3001 |
14 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
30 |
11 |
29651 |
209.3 |
4.7 |
0.393 |
1 |
0 |
0 |
0.000 |
16 |
|
[NAG]A:3001 |
14 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
31 |
11 |
29802 |
206.3 |
4.5 |
0.372 |
1 |
0 |
0 |
0.000 |
17 |
|
[NAG]B:3001 |
14 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
32 |
11 |
29416 |
204.7 |
4.1 |
0.308 |
1 |
0 |
0 |
0.000 |
| Average: |
206.8 |
4.4 |
0.358 |
1 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[PEG]B:7001 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
26 |
11 |
29416 |
173.4 |
5.2 |
0.534 |
1 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[PEG]C:7001 |
7 |
1 |
262 |
f |
C |
x,y,z |
1_555 |
26 |
11 |
29651 |
172.1 |
5.4 |
0.577 |
3 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[PEG]D:7001 |
7 |
1 |
261 |
f |
D |
x,y,z |
1_555 |
22 |
11 |
28686 |
169.9 |
5.9 |
0.632 |
1 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[PEG]A:7001 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
29802 |
169.5 |
5.2 |
0.568 |
1 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[TRS]A:6001 |
7 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
28 |
13 |
29802 |
164.6 |
3.3 |
0.306 |
6 |
0 |
0 |
0.000 |
23 |
|
[TRS]C:6001 |
7 |
1 |
255 |
◊ |
C |
x,y,z |
1_555 |
31 |
13 |
29651 |
162.5 |
3.2 |
0.329 |
6 |
0 |
0 |
0.000 |
| Average: |
163.5 |
3.3 |
0.317 |
6 |
0 |
0 |
0.000 |
| 17 |
24 |
|
C |
27 |
11 |
29651 |
◊ |
[MAN]C:1004 |
x-1,y,z |
1_455 |
11 |
1 |
292 |
156.5 |
2.1 |
0.278 |
2 |
0 |
0 |
0.000 |
25 |
|
A |
28 |
11 |
29802 |
◊ |
[MAN]A:1004 |
x-1,y,z |
1_455 |
11 |
1 |
293 |
155.8 |
2.9 |
0.313 |
1 |
0 |
0 |
0.000 |
| Average: |
156.1 |
2.5 |
0.296 |
2 |
0 |
0 |
0.000 |
| 18 |
26 |
|
D |
29 |
11 |
28686 |
x |
D |
x-1/2,-y+3/2,-z |
4_465 |
14 |
8 |
28686 |
151.3 |
0.3 |
0.640 |
1 |
0 |
0 |
0.000 |
| 19 |
27 |
|
D |
16 |
9 |
28686 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
24 |
11 |
29651 |
142.5 |
2.3 |
0.868 |
3 |
1 |
0 |
0.000 |
| 20 |
28 |
|
A |
20 |
7 |
29802 |
◊ |
[NAG]A:1002 |
x-1,y,z |
1_455 |
12 |
1 |
364 |
141.6 |
3.0 |
0.281 |
2 |
0 |
0 |
0.000 |
29 |
|
C |
18 |
7 |
29651 |
◊ |
[NAG]C:1002 |
x-1,y,z |
1_455 |
12 |
1 |
363 |
138.8 |
3.1 |
0.306 |
2 |
0 |
0 |
0.000 |
| Average: |
140.2 |
3.1 |
0.293 |
2 |
0 |
0 |
0.000 |
| 21 |
30 |
|
C |
11 |
5 |
29651 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
29802 |
121.1 |
0.1 |
0.535 |
2 |
0 |
0 |
0.000 |
| 22 |
31 |
|
A |
13 |
8 |
29802 |
◊ |
[BMA]A:1003 |
x-1,y,z |
1_455 |
9 |
1 |
295 |
111.3 |
0.8 |
0.145 |
1 |
0 |
0 |
0.000 |
32 |
|
C |
13 |
8 |
29651 |
◊ |
[BMA]C:1003 |
x-1,y,z |
1_455 |
9 |
1 |
295 |
109.8 |
0.6 |
0.132 |
1 |
0 |
0 |
0.000 |
| Average: |
110.6 |
0.7 |
0.139 |
1 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[NAG]C:4001 |
10 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
15 |
6 |
29651 |
110.5 |
3.2 |
0.403 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[NAG]B:3002 |
10 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
29416 |
100.3 |
2.0 |
0.278 |
2 |
0 |
0 |
0.000 |
35 |
|
[NAG]A:3002 |
10 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
29802 |
99.2 |
1.9 |
0.263 |
2 |
0 |
0 |
0.000 |
| Average: |
99.7 |
1.9 |
0.271 |
2 |
0 |
0 |
0.000 |
| 25 |
36 |
|
D |
9 |
3 |
28686 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
29651 |
94.8 |
2.4 |
0.931 |
1 |
0 |
0 |
0.000 |
| 26 |
37 |
|
[NAG]B:2001 |
10 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
12 |
3 |
29416 |
90.5 |
2.4 |
0.283 |
1 |
0 |
0 |
0.000 |
38 |
|
[NAG]D:2001 |
9 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
10 |
3 |
28686 |
84.8 |
1.9 |
0.314 |
0 |
0 |
0 |
0.000 |
| Average: |
87.7 |
2.2 |
0.299 |
1 |
0 |
0 |
0.000 |
| 27 |
39 |
|
[NAG]A:1001 |
9 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
7 |
3 |
29802 |
86.2 |
2.6 |
0.405 |
0 |
0 |
0 |
0.000 |
| 28 |
40 |
|
[NAG]A:2001 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
29802 |
86.1 |
2.3 |
0.246 |
0 |
0 |
0 |
0.000 |
| 29 |
41 |
|
[NAG]C:2001 |
10 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
9 |
2 |
29651 |
84.8 |
2.4 |
0.287 |
0 |
0 |
0 |
0.000 |
| 30 |
42 |
|
[NAG]A:4001 |
9 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
8 |
2 |
29802 |
81.1 |
1.9 |
0.352 |
0 |
0 |
0 |
0.000 |
| 31 |
43 |
|
[NAG]C:1002 |
10 |
1 |
363 |
cf |
[NAG]C:1001 |
x,y,z |
1_555 |
7 |
1 |
364 |
77.9 |
2.0 |
0.082 |
1 |
0 |
0 |
0.000 |
| 32 |
44 |
|
[NAG]C:1001 |
9 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
6 |
3 |
29651 |
77.4 |
2.5 |
0.386 |
0 |
0 |
0 |
0.000 |
| 33 |
45 |
|
A |
12 |
4 |
29802 |
◊ |
[NAG]D:2001 |
x-1/2,-y+1/2,-z |
4_455 |
8 |
1 |
363 |
75.2 |
1.4 |
0.254 |
1 |
0 |
0 |
0.000 |
46 |
|
[NAG]C:2001 |
7 |
1 |
363 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
29416 |
71.9 |
1.3 |
0.242 |
1 |
0 |
0 |
0.000 |
47 |
|
[NAG]A:2001 |
6 |
1 |
361 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
28686 |
59.5 |
1.0 |
0.257 |
1 |
0 |
0 |
0.000 |
| Average: |
68.9 |
1.2 |
0.251 |
1 |
0 |
0 |
0.000 |
| 34 |
48 |
|
[NAG]D:2002 |
8 |
1 |
365 |
cf |
[NAG]D:2001 |
x,y,z |
1_555 |
6 |
1 |
363 |
75.2 |
1.8 |
0.112 |
1 |
0 |
0 |
0.000 |
| 35 |
49 |
|
[NAG]A:1002 |
9 |
1 |
364 |
cf |
[NAG]A:1001 |
x,y,z |
1_555 |
7 |
1 |
364 |
74.4 |
1.6 |
0.084 |
0 |
0 |
0 |
0.000 |
| 36 |
50 |
|
[NAG]B:3002 |
10 |
1 |
363 |
cf |
[NAG]B:3001 |
x,y,z |
1_555 |
6 |
1 |
365 |
73.0 |
2.2 |
0.094 |
0 |
0 |
0 |
0.000 |
51 |
|
[NAG]A:3002 |
9 |
1 |
363 |
cf |
[NAG]A:3001 |
x,y,z |
1_555 |
6 |
1 |
360 |
72.6 |
2.3 |
0.127 |
0 |
0 |
0 |
0.000 |
| Average: |
72.8 |
2.3 |
0.111 |
0 |
0 |
0 |
0.000 |
| 37 |
52 |
|
[CL]A:8001 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
29802 |
71.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
53 |
|
[NAG]B:2001 |
7 |
1 |
364 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
29651 |
68.8 |
1.3 |
0.257 |
1 |
0 |
0 |
0.000 |
| 39 |
54 |
|
[BMA]A:1003 |
7 |
1 |
295 |
cf |
[NAG]A:1002 |
x,y,z |
1_555 |
4 |
1 |
364 |
63.2 |
1.4 |
0.137 |
1 |
0 |
0 |
0.000 |
55 |
|
[BMA]C:1003 |
6 |
1 |
295 |
cf |
[NAG]C:1002 |
x,y,z |
1_555 |
4 |
1 |
363 |
61.9 |
1.2 |
0.138 |
1 |
0 |
0 |
0.000 |
| Average: |
62.6 |
1.3 |
0.138 |
1 |
0 |
0 |
0.000 |
| 40 |
56 |
|
[MAN]A:1004 |
6 |
1 |
293 |
cf |
[BMA]A:1003 |
x,y,z |
1_555 |
5 |
1 |
295 |
61.4 |
2.7 |
0.271 |
0 |
0 |
0 |
0.000 |
57 |
|
[MAN]C:1004 |
7 |
1 |
292 |
cf |
[BMA]C:1003 |
x,y,z |
1_555 |
6 |
1 |
295 |
61.4 |
2.7 |
0.202 |
0 |
0 |
0 |
0.000 |
| Average: |
61.4 |
2.7 |
0.236 |
0 |
0 |
0 |
0.000 |
| 41 |
58 |
|
C |
8 |
2 |
29651 |
◊ |
[NAG]C:1001 |
x-1,y,z |
1_455 |
6 |
1 |
364 |
56.0 |
1.5 |
0.393 |
0 |
0 |
0 |
0.000 |
59 |
|
A |
8 |
3 |
29802 |
◊ |
[NAG]A:1001 |
x-1,y,z |
1_455 |
7 |
1 |
364 |
54.7 |
1.3 |
0.348 |
0 |
0 |
0 |
0.000 |
| Average: |
55.3 |
1.4 |
0.371 |
0 |
0 |
0 |
0.000 |
| 42 |
60 |
|
[NAG]A:4001 |
5 |
1 |
356 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
29416 |
51.3 |
1.1 |
0.366 |
0 |
0 |
0 |
0.000 |
| 43 |
61 |
|
[BMA]B:3003 |
5 |
1 |
294 |
f |
[NAG]B:3002 |
x,y,z |
1_555 |
5 |
1 |
363 |
50.5 |
0.9 |
0.128 |
0 |
0 |
0 |
0.000 |
| 44 |
62 |
|
[NAG]D:2002 |
3 |
1 |
365 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
28686 |
44.2 |
1.7 |
0.621 |
0 |
0 |
0 |
0.000 |
| 45 |
63 |
|
B |
4 |
2 |
29416 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
7 |
3 |
29651 |
32.9 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
| 46 |
64 |
|
[MAN]A:1004 |
3 |
1 |
293 |
f |
[NAG]A:1002 |
x,y,z |
1_555 |
3 |
1 |
364 |
19.6 |
0.6 |
0.212 |
0 |
0 |
0 |
0.000 |
| 47 |
65 |
|
[MAN]C:1004 |
3 |
1 |
292 |
f |
[NAG]C:1002 |
x,y,z |
1_555 |
3 |
1 |
363 |
18.9 |
0.6 |
0.228 |
0 |
0 |
0 |
0.000 |
| 48 |
66 |
|
[TRS]C:6001 |
2 |
1 |
255 |
f |
[MAN]C:1004 |
x-1,y,z |
1_455 |
3 |
1 |
292 |
15.0 |
0.3 |
0.418 |
0 |
0 |
0 |
0.000 |
67 |
|
[TRS]A:6001 |
2 |
1 |
255 |
f |
[MAN]A:1004 |
x-1,y,z |
1_455 |
4 |
1 |
293 |
9.7 |
0.1 |
0.297 |
0 |
0 |
0 |
0.000 |
| Average: |
12.3 |
0.2 |
0.358 |
0 |
0 |
0 |
0.000 |
| 49 |
68 |
|
[TRS]A:6001 |
2 |
1 |
255 |
f |
[BMA]A:1003 |
x-1,y,z |
1_455 |
1 |
1 |
295 |
9.8 |
0.3 |
0.426 |
0 |
0 |
0 |
0.000 |
69 |
|
[TRS]C:6001 |
2 |
1 |
255 |
f |
[BMA]C:1003 |
x-1,y,z |
1_455 |
1 |
1 |
295 |
8.7 |
0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
| Average: |
9.3 |
0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
| 50 |
70 |
|
B |
1 |
1 |
29416 |
◊ |
[NAG]C:4001 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
363 |
5.4 |
0.2 |
0.477 |
0 |
0 |
0 |
0.000 |
| 51 |
71 |
|
[BMA]B:3003 |
2 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
29416 |
3.8 |
0.2 |
0.461 |
0 |
0 |
0 |
0.000 |
|