| ## |
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 |
|
B |
91 |
32 |
14735 |
◊ |
A |
x,y,z |
1_555 |
99 |
32 |
14773 |
908.9 |
-6.1 |
0.284 |
8 |
10 |
0 |
0.000 |
| 2 |
2 |
|
A |
73 |
24 |
14773 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
70 |
19 |
14735 |
601.4 |
-3.8 |
0.355 |
7 |
0 |
0 |
0.000 |
3 |
|
A |
74 |
21 |
14773 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
64 |
22 |
14735 |
595.5 |
-4.0 |
0.323 |
9 |
0 |
0 |
0.000 |
| Average: |
598.5 |
-3.9 |
0.339 |
8 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
39 |
12 |
14773 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
33 |
11 |
14773 |
308.4 |
0.7 |
0.679 |
1 |
1 |
0 |
0.000 |
5 |
|
B |
26 |
10 |
14735 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
40 |
11 |
14735 |
264.6 |
0.9 |
0.689 |
4 |
2 |
0 |
0.000 |
| Average: |
286.5 |
0.8 |
0.684 |
3 |
2 |
0 |
0.000 |
| 4 |
6 |
|
[GAL]A:401 |
11 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
14773 |
157.3 |
2.0 |
0.281 |
9 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[GAL]B:401 |
11 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
14735 |
155.6 |
2.8 |
0.365 |
8 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[GAL]A:403 |
10 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
14773 |
141.0 |
1.7 |
0.293 |
4 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[GAL]B:403 |
10 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
14735 |
136.7 |
2.1 |
0.270 |
4 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EDO]A:409 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
14773 |
120.4 |
2.8 |
0.421 |
1 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:414 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
14773 |
117.0 |
3.5 |
0.441 |
3 |
0 |
0 |
0.000 |
| 10 |
12 |
|
A |
13 |
4 |
14773 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
14 |
5 |
14735 |
113.0 |
-1.5 |
0.332 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]B:412 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
14735 |
104.5 |
2.9 |
0.470 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]A:416 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
14773 |
104.1 |
3.1 |
0.504 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[EDO]B:407 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
14735 |
101.4 |
2.3 |
0.381 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[EDO]A:405 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14773 |
92.3 |
3.0 |
0.414 |
1 |
0 |
0 |
0.000 |
| 15 |
17 |
|
B |
14 |
7 |
14735 |
◊ |
[EDO]B:408 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
185 |
91.6 |
2.3 |
0.372 |
1 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[EDO]A:410 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
14773 |
90.9 |
2.8 |
0.477 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]A:407 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
14773 |
90.8 |
2.4 |
0.282 |
2 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[EDO]B:405 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
14735 |
89.9 |
3.1 |
0.509 |
3 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[EDO]A:411 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
14773 |
88.8 |
2.2 |
0.420 |
2 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]A:406 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
14773 |
87.7 |
2.4 |
0.450 |
2 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[BGC]B:404 |
7 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14735 |
85.4 |
1.9 |
0.401 |
3 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[BGC]A:402 |
8 |
1 |
305 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14773 |
84.9 |
1.8 |
0.317 |
2 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[EDO]A:412 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
14773 |
83.3 |
1.6 |
0.206 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[BGC]B:402 |
8 |
1 |
304 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14735 |
82.3 |
1.8 |
0.346 |
2 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[EDO]B:411 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
14735 |
77.5 |
1.8 |
0.248 |
1 |
0 |
0 |
0.000 |
| 26 |
28 |
|
[EDO]A:415 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
14773 |
77.3 |
1.3 |
0.168 |
0 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[BGC]A:404 |
8 |
1 |
303 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14773 |
76.8 |
2.1 |
0.330 |
5 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[EDO]B:406 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
14735 |
74.5 |
1.8 |
0.256 |
1 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[EDO]B:409 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
14735 |
74.2 |
2.1 |
0.273 |
3 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[EDO]A:413 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
14773 |
73.3 |
1.6 |
0.764 |
3 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[EDO]A:408 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
14773 |
73.1 |
2.0 |
0.859 |
2 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[EDO]A:406 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
14735 |
64.1 |
1.3 |
0.597 |
0 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[EDO]B:410 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14735 |
63.4 |
1.5 |
0.259 |
1 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[BGC]A:404 |
5 |
1 |
303 |
cf |
[GAL]A:403 |
x,y,z |
1_555 |
7 |
1 |
293 |
63.0 |
1.0 |
0.134 |
1 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[BGC]A:402 |
6 |
1 |
305 |
cf |
[GAL]A:401 |
x,y,z |
1_555 |
6 |
1 |
292 |
61.3 |
1.2 |
0.093 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[BGC]B:404 |
6 |
1 |
303 |
cf |
[GAL]B:403 |
x,y,z |
1_555 |
6 |
1 |
293 |
61.3 |
1.3 |
0.091 |
0 |
0 |
0 |
0.000 |
39 |
|
[BGC]B:402 |
5 |
1 |
304 |
cf |
[GAL]B:401 |
x,y,z |
1_555 |
7 |
1 |
291 |
60.7 |
1.0 |
0.138 |
0 |
0 |
0 |
0.000 |
| Average: |
61.0 |
1.1 |
0.115 |
0 |
0 |
0 |
0.000 |
| 37 |
40 |
|
A |
7 |
3 |
14773 |
◊ |
[EDO]B:410 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
184 |
53.3 |
2.0 |
0.327 |
3 |
0 |
0 |
0.000 |
| 38 |
41 |
|
[EDO]B:408 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
14735 |
47.5 |
2.0 |
0.924 |
1 |
0 |
0 |
0.000 |
| 39 |
42 |
|
A |
6 |
3 |
14773 |
f |
[EDO]B:407 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
185 |
46.7 |
1.1 |
0.701 |
0 |
0 |
0 |
0.000 |
| 40 |
43 |
|
A |
9 |
2 |
14773 |
◊ |
[EDO]B:409 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
184 |
46.6 |
0.7 |
0.566 |
0 |
0 |
0 |
0.000 |
| 41 |
44 |
|
[EDO]A:407 |
3 |
1 |
184 |
f |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
14735 |
42.1 |
1.0 |
0.614 |
0 |
0 |
0 |
0.000 |
| 42 |
45 |
|
B |
9 |
3 |
14735 |
x |
B |
x-1,y,z |
1_455 |
6 |
3 |
14735 |
41.7 |
-0.1 |
0.404 |
0 |
0 |
0 |
0.000 |
| 43 |
46 |
|
[BGC]A:404 |
4 |
1 |
303 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
4 |
14735 |
41.4 |
1.3 |
0.531 |
0 |
0 |
0 |
0.000 |
| 44 |
47 |
|
A |
6 |
2 |
14773 |
◊ |
[EDO]A:408 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
185 |
40.1 |
1.0 |
0.833 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
A |
4 |
2 |
14773 |
◊ |
[EDO]B:405 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
185 |
39.4 |
0.8 |
0.608 |
0 |
0 |
0 |
0.000 |
| 46 |
49 |
|
A |
3 |
1 |
14773 |
◊ |
[BGC]B:404 |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
1 |
303 |
38.8 |
0.7 |
0.243 |
0 |
0 |
0 |
0.000 |
| 47 |
50 |
|
[EDO]A:416 |
3 |
1 |
185 |
f |
[EDO]A:415 |
x,y,z |
1_555 |
3 |
1 |
185 |
34.7 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
| 48 |
51 |
|
[EDO]B:410 |
2 |
1 |
184 |
f |
[BGC]B:402 |
x,y,z |
1_555 |
7 |
1 |
304 |
34.0 |
1.4 |
0.229 |
1 |
0 |
0 |
0.000 |
| 49 |
52 |
|
[EDO]B:409 |
3 |
1 |
184 |
f |
[EDO]B:405 |
x,y,z |
1_555 |
2 |
1 |
185 |
27.5 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
| 50 |
53 |
|
[EDO]A:412 |
2 |
1 |
185 |
f |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
3 |
14735 |
24.2 |
0.7 |
0.834 |
1 |
0 |
0 |
0.000 |
| 51 |
54 |
|
A |
4 |
3 |
14773 |
f |
[EDO]B:411 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
183 |
22.0 |
0.7 |
0.902 |
0 |
0 |
0 |
0.000 |
| 52 |
55 |
|
[EDO]B:410 |
3 |
1 |
184 |
f |
[GAL]B:401 |
x,y,z |
1_555 |
4 |
1 |
291 |
20.9 |
0.7 |
0.370 |
1 |
0 |
0 |
0.000 |
| 53 |
56 |
|
[BGC]B:404 |
3 |
1 |
303 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
14735 |
20.9 |
0.5 |
0.419 |
0 |
0 |
0 |
0.000 |
| 54 |
57 |
|
[EDO]A:415 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
14735 |
10.4 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
| 55 |
58 |
|
A |
3 |
2 |
14773 |
◊ |
[BGC]A:404 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
303 |
10.2 |
0.3 |
0.456 |
0 |
0 |
0 |
0.000 |
| 56 |
59 |
|
[EDO]B:409 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
14773 |
8.8 |
0.3 |
0.857 |
0 |
0 |
0 |
0.000 |
| 57 |
60 |
|
A |
1 |
1 |
14773 |
x |
A |
x,y-1,z |
1_545 |
3 |
2 |
14773 |
7.4 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
| 58 |
61 |
|
A |
2 |
1 |
14773 |
◊ |
[BGC]B:402 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
304 |
6.9 |
0.0 |
0.388 |
0 |
0 |
0 |
0.000 |
| 59 |
62 |
|
A |
1 |
1 |
14773 |
◊ |
[BGC]B:402 |
x-1,y,z |
1_455 |
2 |
1 |
304 |
4.7 |
0.2 |
0.487 |
0 |
0 |
0 |
0.000 |
| 60 |
63 |
|
[GAL]A:403 |
1 |
1 |
293 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
14735 |
4.5 |
0.1 |
0.309 |
0 |
0 |
0 |
0.000 |
| 61 |
64 |
|
[EDO]A:408 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
14735 |
3.8 |
0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
| 62 |
65 |
|
[BGC]A:402 |
2 |
1 |
305 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
14735 |
2.0 |
0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
| 63 |
66 |
|
B |
1 |
1 |
14735 |
f |
[EDO]B:406 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
185 |
1.8 |
-0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
| 64 |
67 |
|
[EDO]A:416 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
14735 |
1.6 |
0.1 |
0.839 |
0 |
0 |
0 |
0.000 |
|