| ## |
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 |
|
E |
242 |
63 |
14854 |
◊ |
D |
x,y,z |
1_555 |
229 |
62 |
15341 |
2249.3 |
-30.9 |
0.083 |
29 |
7 |
0 |
1.000 |
2 |
|
B |
246 |
63 |
14845 |
◊ |
A |
x,y,z |
1_555 |
227 |
61 |
14742 |
2232.1 |
-27.6 |
0.143 |
30 |
6 |
0 |
1.000 |
3 |
|
C |
244 |
63 |
14867 |
◊ |
B |
x,y,z |
1_555 |
226 |
62 |
14845 |
2226.0 |
-29.1 |
0.095 |
30 |
6 |
0 |
1.000 |
4 |
|
D |
245 |
64 |
15341 |
◊ |
C |
x,y,z |
1_555 |
227 |
62 |
14867 |
2210.6 |
-27.1 |
0.166 |
31 |
6 |
0 |
1.000 |
5 |
|
E |
226 |
61 |
14854 |
◊ |
A |
x,y,z |
1_555 |
247 |
64 |
14742 |
2209.2 |
-28.3 |
0.135 |
29 |
5 |
0 |
1.000 |
| Average: |
2225.4 |
-28.6 |
0.125 |
30 |
6 |
0 |
1.000 |
| 2 |
6 |
|
D |
41 |
15 |
15341 |
◊ |
D |
x-y,-y,-z-1/3 |
5_554 |
41 |
15 |
15341 |
366.5 |
-4.1 |
0.416 |
4 |
0 |
0 |
0.000 |
| 3 |
7 |
|
D |
31 |
10 |
15341 |
◊ |
A |
x-y,-y,-z+2/3 |
5_555 |
30 |
8 |
14742 |
278.8 |
-3.8 |
0.343 |
6 |
0 |
0 |
0.071 |
8 |
|
C |
29 |
8 |
14867 |
◊ |
B |
x-y,-y,-z+2/3 |
5_555 |
29 |
7 |
14845 |
270.6 |
-3.4 |
0.352 |
6 |
0 |
0 |
0.071 |
9 |
|
E |
29 |
9 |
14854 |
◊ |
E |
x-y,-y,-z+2/3 |
5_555 |
29 |
9 |
14854 |
268.5 |
-3.5 |
0.344 |
6 |
0 |
0 |
0.071 |
| Average: |
272.6 |
-3.6 |
0.346 |
6 |
0 |
0 |
0.071 |
| 4 |
10 |
|
A |
20 |
10 |
14742 |
◊ |
E |
-y+1,x-y,z+1/3 |
2_655 |
20 |
8 |
14854 |
200.4 |
-1.1 |
0.564 |
2 |
0 |
0 |
0.000 |
| 5 |
11 |
|
A |
27 |
8 |
14742 |
◊ |
D |
-y+1,x-y,z+1/3 |
2_655 |
17 |
5 |
15341 |
181.4 |
0.7 |
0.748 |
3 |
0 |
0 |
0.000 |
| 6 |
12 |
|
E |
19 |
5 |
14854 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
17 |
5 |
14867 |
178.5 |
-0.6 |
0.545 |
5 |
1 |
0 |
0.000 |
| 7 |
13 |
|
[SIA]A:402 |
15 |
1 |
440 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
14742 |
158.0 |
-1.6 |
0.373 |
8 |
0 |
0 |
0.118 |
14 |
|
[SIA]D:402 |
15 |
1 |
440 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
15341 |
157.7 |
-1.6 |
0.373 |
8 |
0 |
0 |
0.118 |
15 |
|
[SIA]C:401 |
16 |
1 |
441 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
14867 |
157.3 |
-1.4 |
0.400 |
7 |
0 |
0 |
0.118 |
16 |
|
[SIA]B:402 |
16 |
1 |
437 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
14845 |
156.1 |
-1.5 |
0.382 |
7 |
0 |
0 |
0.118 |
17 |
|
[SIA]E:401 |
15 |
1 |
441 |
f |
E |
x,y,z |
1_555 |
18 |
8 |
14854 |
155.0 |
-1.2 |
0.408 |
8 |
0 |
0 |
0.118 |
| Average: |
156.8 |
-1.5 |
0.387 |
8 |
0 |
0 |
0.118 |
| 8 |
18 |
|
[GAL]E:402 |
9 |
1 |
291 |
f |
E |
x,y,z |
1_555 |
21 |
9 |
14854 |
111.8 |
2.4 |
0.394 |
1 |
0 |
0 |
0.000 |
19 |
|
[GAL]B:403 |
9 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
14845 |
111.4 |
2.5 |
0.391 |
1 |
0 |
0 |
0.000 |
20 |
|
[GAL]C:402 |
8 |
1 |
293 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
14867 |
110.5 |
2.3 |
0.441 |
1 |
0 |
0 |
0.000 |
21 |
|
[GAL]D:403 |
9 |
1 |
292 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
15341 |
110.4 |
2.4 |
0.378 |
1 |
0 |
0 |
0.000 |
22 |
|
[GAL]A:403 |
8 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
14742 |
110.3 |
2.4 |
0.446 |
1 |
0 |
0 |
0.000 |
| Average: |
110.9 |
2.4 |
0.410 |
1 |
0 |
0 |
0.000 |
| 9 |
23 |
|
[GOL]C:405 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
14867 |
104.8 |
-0.3 |
0.487 |
5 |
0 |
0 |
0.012 |
| 10 |
24 |
|
[GOL]E:405 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
14854 |
103.9 |
0.2 |
0.742 |
4 |
0 |
0 |
0.008 |
| 11 |
25 |
|
[GOL]A:406 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
14742 |
103.2 |
0.1 |
0.743 |
5 |
0 |
0 |
0.010 |
| 12 |
26 |
|
[GOL]B:406 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
14845 |
102.2 |
-0.0 |
0.736 |
4 |
0 |
0 |
0.009 |
| 13 |
27 |
|
[GOL]D:401 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
15341 |
100.3 |
1.1 |
0.707 |
5 |
0 |
0 |
0.005 |
| 14 |
28 |
|
[GOL]D:407 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
15341 |
100.2 |
-0.9 |
0.484 |
3 |
0 |
0 |
0.011 |
| 15 |
29 |
|
[GOL]A:401 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
14742 |
93.9 |
-0.9 |
0.529 |
0 |
0 |
0 |
0.005 |
| 16 |
30 |
|
[GOL]B:401 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
14845 |
85.4 |
-0.1 |
0.634 |
4 |
0 |
0 |
0.009 |
| 17 |
31 |
|
[GOL]D:406 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
15341 |
83.9 |
-0.1 |
0.626 |
3 |
0 |
0 |
0.007 |
| 18 |
32 |
|
A |
8 |
3 |
14742 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
8 |
3 |
14845 |
80.6 |
-0.3 |
0.581 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
[NGA]D:404 |
10 |
1 |
362 |
cf |
[GAL]D:405 |
x,y,z |
1_555 |
9 |
1 |
301 |
76.5 |
1.9 |
0.039 |
2 |
0 |
0 |
0.000 |
34 |
|
[NGA]B:404 |
9 |
1 |
363 |
cf |
[GAL]B:405 |
x,y,z |
1_555 |
8 |
1 |
304 |
76.2 |
2.1 |
0.068 |
1 |
0 |
0 |
0.000 |
35 |
|
[NGA]C:403 |
9 |
1 |
364 |
cf |
[GAL]C:404 |
x,y,z |
1_555 |
9 |
1 |
305 |
76.0 |
1.9 |
0.054 |
0 |
0 |
0 |
0.000 |
36 |
|
[NGA]E:403 |
9 |
1 |
363 |
cf |
[GAL]E:404 |
x,y,z |
1_555 |
9 |
1 |
302 |
73.8 |
1.9 |
0.052 |
1 |
0 |
0 |
0.000 |
| Average: |
75.6 |
1.9 |
0.053 |
1 |
0 |
0 |
0.000 |
| 20 |
37 |
|
[NGA]A:404 |
11 |
1 |
361 |
cf |
[GAL]A:405 |
x,y,z |
1_555 |
10 |
1 |
300 |
72.2 |
1.6 |
0.024 |
1 |
0 |
0 |
0.000 |
| 21 |
38 |
|
[GAL]B:403 |
6 |
1 |
291 |
cf |
[SIA]B:402 |
x,y,z |
1_555 |
9 |
1 |
437 |
66.4 |
2.4 |
0.328 |
0 |
0 |
0 |
0.000 |
39 |
|
[GAL]E:402 |
6 |
1 |
291 |
cf |
[SIA]E:401 |
x,y,z |
1_555 |
9 |
1 |
441 |
66.4 |
2.3 |
0.332 |
0 |
0 |
0 |
0.000 |
40 |
|
[GAL]C:402 |
6 |
1 |
293 |
cf |
[SIA]C:401 |
x,y,z |
1_555 |
9 |
1 |
441 |
65.6 |
2.2 |
0.328 |
0 |
0 |
0 |
0.000 |
41 |
|
[GAL]D:403 |
6 |
1 |
292 |
cf |
[SIA]D:402 |
x,y,z |
1_555 |
9 |
1 |
440 |
65.5 |
2.3 |
0.297 |
0 |
0 |
0 |
0.000 |
42 |
|
[GAL]A:403 |
6 |
1 |
293 |
cf |
[SIA]A:402 |
x,y,z |
1_555 |
9 |
1 |
440 |
64.9 |
2.3 |
0.326 |
0 |
0 |
0 |
0.000 |
| Average: |
65.8 |
2.3 |
0.322 |
0 |
0 |
0 |
0.000 |
| 22 |
43 |
|
[NGA]C:403 |
7 |
1 |
364 |
cf |
[GAL]C:402 |
x,y,z |
1_555 |
7 |
1 |
293 |
63.2 |
2.5 |
0.141 |
0 |
0 |
0 |
0.000 |
44 |
|
[NGA]B:404 |
7 |
1 |
363 |
cf |
[GAL]B:403 |
x,y,z |
1_555 |
7 |
1 |
291 |
63.1 |
2.5 |
0.141 |
0 |
0 |
0 |
0.000 |
45 |
|
[NGA]D:404 |
8 |
1 |
362 |
cf |
[GAL]D:403 |
x,y,z |
1_555 |
6 |
1 |
292 |
63.0 |
2.5 |
0.123 |
0 |
0 |
0 |
0.000 |
46 |
|
[NGA]A:404 |
7 |
1 |
361 |
cf |
[GAL]A:403 |
x,y,z |
1_555 |
6 |
1 |
293 |
63.0 |
2.5 |
0.146 |
0 |
0 |
0 |
0.000 |
47 |
|
[NGA]E:403 |
8 |
1 |
363 |
cf |
[GAL]E:402 |
x,y,z |
1_555 |
6 |
1 |
291 |
62.9 |
2.5 |
0.125 |
0 |
0 |
0 |
0.000 |
| Average: |
63.1 |
2.5 |
0.135 |
0 |
0 |
0 |
0.000 |
| 23 |
48 |
|
A |
10 |
5 |
14742 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
6 |
3 |
14867 |
62.8 |
-1.4 |
0.268 |
0 |
0 |
0 |
0.000 |
| 24 |
49 |
|
A |
9 |
4 |
14742 |
x |
A |
-y+1,x-y,z+1/3 |
2_655 |
6 |
3 |
14742 |
62.1 |
-0.9 |
0.438 |
0 |
0 |
0 |
0.000 |
| 25 |
50 |
|
[GOL]A:401 |
4 |
1 |
182 |
◊ |
D |
-y+1,x-y,z+1/3 |
2_655 |
6 |
2 |
15341 |
49.0 |
0.2 |
0.620 |
1 |
0 |
0 |
0.000 |
| 26 |
51 |
|
E |
4 |
2 |
14854 |
◊ |
D |
-y+1,x-y,z+1/3 |
2_655 |
4 |
1 |
15341 |
41.0 |
-0.8 |
0.320 |
0 |
0 |
0 |
0.000 |
| 27 |
52 |
|
[SIA]C:401 |
1 |
1 |
441 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
15341 |
34.1 |
-0.7 |
0.325 |
0 |
0 |
0 |
0.018 |
53 |
|
[SIA]D:402 |
1 |
1 |
440 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
14854 |
33.5 |
-0.7 |
0.329 |
0 |
0 |
0 |
0.018 |
54 |
|
[SIA]E:401 |
1 |
1 |
441 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
14742 |
33.4 |
-0.7 |
0.330 |
0 |
0 |
0 |
0.018 |
55 |
|
[SIA]B:402 |
1 |
1 |
437 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
14867 |
33.1 |
-0.7 |
0.322 |
0 |
0 |
0 |
0.018 |
56 |
|
[SIA]A:402 |
1 |
1 |
440 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
14845 |
32.7 |
-0.7 |
0.329 |
0 |
0 |
0 |
0.018 |
| Average: |
33.4 |
-0.7 |
0.327 |
0 |
0 |
0 |
0.018 |
| 28 |
57 |
|
[NGA]A:404 |
4 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
14742 |
33.0 |
1.0 |
0.415 |
0 |
0 |
0 |
0.000 |
58 |
|
[NGA]C:403 |
5 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
14867 |
32.4 |
1.1 |
0.391 |
0 |
0 |
0 |
0.000 |
59 |
|
[NGA]B:404 |
5 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
14845 |
32.0 |
1.1 |
0.384 |
0 |
0 |
0 |
0.000 |
60 |
|
[NGA]D:404 |
5 |
1 |
362 |
f |
D |
x,y,z |
1_555 |
4 |
1 |
15341 |
31.9 |
1.1 |
0.395 |
0 |
0 |
0 |
0.000 |
61 |
|
[NGA]E:403 |
4 |
1 |
363 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
14854 |
31.8 |
1.1 |
0.432 |
0 |
0 |
0 |
0.000 |
| Average: |
32.2 |
1.1 |
0.403 |
0 |
0 |
0 |
0.000 |
| 29 |
62 |
|
[SIA]D:402 |
4 |
1 |
440 |
f |
[GOL]D:401 |
x,y,z |
1_555 |
4 |
1 |
220 |
28.6 |
-0.0 |
0.476 |
0 |
0 |
0 |
0.000 |
| 30 |
63 |
|
[NGA]A:404 |
2 |
1 |
361 |
◊ |
E |
-y+1,x-y,z+1/3 |
2_655 |
3 |
1 |
14854 |
28.1 |
0.8 |
0.516 |
1 |
0 |
0 |
0.000 |
| 31 |
64 |
|
[NGA]E:403 |
2 |
1 |
363 |
f |
[SIA]E:401 |
x,y,z |
1_555 |
4 |
1 |
441 |
27.8 |
1.4 |
0.569 |
0 |
0 |
0 |
0.000 |
65 |
|
[NGA]D:404 |
2 |
1 |
362 |
f |
[SIA]D:402 |
x,y,z |
1_555 |
4 |
1 |
440 |
27.7 |
1.4 |
0.568 |
0 |
0 |
0 |
0.000 |
66 |
|
[NGA]A:404 |
2 |
1 |
361 |
f |
[SIA]A:402 |
x,y,z |
1_555 |
4 |
1 |
440 |
27.0 |
1.4 |
0.565 |
0 |
0 |
0 |
0.000 |
67 |
|
[NGA]C:403 |
2 |
1 |
364 |
f |
[SIA]C:401 |
x,y,z |
1_555 |
4 |
1 |
441 |
25.6 |
1.3 |
0.573 |
0 |
0 |
0 |
0.000 |
68 |
|
[NGA]B:404 |
2 |
1 |
363 |
f |
[SIA]B:402 |
x,y,z |
1_555 |
4 |
1 |
437 |
25.0 |
1.6 |
0.591 |
0 |
0 |
0 |
0.000 |
| Average: |
26.6 |
1.4 |
0.573 |
0 |
0 |
0 |
0.000 |
| 32 |
69 |
|
[GAL]A:405 |
1 |
1 |
300 |
◊ |
E |
-y+1,x-y,z+1/3 |
2_655 |
2 |
1 |
14854 |
9.4 |
0.2 |
0.293 |
0 |
0 |
0 |
0.000 |
| 33 |
70 |
|
[GAL]A:405 |
1 |
1 |
300 |
f |
[GAL]A:403 |
x,y,z |
1_555 |
1 |
1 |
293 |
1.1 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
| 34 |
71 |
|
[GAL]D:405 |
1 |
1 |
301 |
f |
[GAL]D:403 |
x,y,z |
1_555 |
1 |
1 |
292 |
1.0 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
72 |
|
[GAL]B:405 |
1 |
1 |
304 |
f |
[GAL]B:403 |
x,y,z |
1_555 |
1 |
1 |
291 |
0.9 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
73 |
|
[GAL]E:404 |
1 |
1 |
302 |
f |
[GAL]E:402 |
x,y,z |
1_555 |
1 |
1 |
291 |
0.8 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
74 |
|
[GAL]C:404 |
1 |
1 |
305 |
f |
[GAL]C:402 |
x,y,z |
1_555 |
1 |
1 |
293 |
0.5 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
| Average: |
0.8 |
0.0 |
0.174 |
0 |
0 |
0 |
0.000 |
| 35 |
75 |
|
[NGA]D:404 |
1 |
1 |
362 |
f |
[GOL]D:401 |
x,y,z |
1_555 |
1 |
1 |
220 |
0.2 |
0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
|