## |
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 |
44 |
11 |
6035 |
x |
A |
-y,x,z+1/4 |
3_555 |
38 |
11 |
6035 |
387.3 |
-0.0 |
0.575 |
8 |
4 |
0 |
0.000 |
2 |
|
B |
47 |
12 |
5989 |
x |
B |
-y+1,x,z+1/4 |
3_655 |
37 |
10 |
5989 |
385.9 |
1.6 |
0.685 |
7 |
6 |
0 |
0.000 |
Average: |
386.6 |
0.8 |
0.630 |
8 |
5 |
0 |
0.000 |
2 |
3 |
|
B |
31 |
9 |
5989 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
6035 |
279.8 |
-1.1 |
0.447 |
1 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
27 |
6 |
6035 |
◊ |
B |
-x,-y+1,z-1/2 |
2_564 |
30 |
11 |
5989 |
260.6 |
-2.3 |
0.248 |
1 |
1 |
0 |
0.000 |
4 |
5 |
|
[GOL]B:103 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
5989 |
118.3 |
-0.2 |
0.516 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[BGC]B:601 |
6 |
1 |
305 |
◊ |
B |
-y+1,x,z+1/4 |
3_655 |
11 |
6 |
5989 |
83.3 |
0.6 |
0.275 |
2 |
0 |
0 |
0.000 |
7 |
|
[BGC]A:701 |
6 |
1 |
306 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
12 |
6 |
6035 |
83.2 |
0.5 |
0.285 |
2 |
0 |
0 |
0.000 |
Average: |
83.3 |
0.6 |
0.280 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
11 |
5 |
5989 |
◊ |
[BGC]B:606 |
-y+1,x,z+1/4 |
3_655 |
7 |
1 |
295 |
76.9 |
1.3 |
0.294 |
2 |
0 |
0 |
0.000 |
9 |
|
A |
10 |
5 |
6035 |
◊ |
[BGC]A:706 |
-y,x,z+1/4 |
3_555 |
7 |
1 |
292 |
75.5 |
1.2 |
0.274 |
2 |
0 |
0 |
0.000 |
Average: |
76.2 |
1.3 |
0.284 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
B |
9 |
4 |
5989 |
◊ |
[BGC]B:605 |
-y+1,x,z+1/4 |
3_655 |
6 |
1 |
295 |
73.2 |
1.0 |
0.308 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
9 |
4 |
6035 |
◊ |
[BGC]A:705 |
-y,x,z+1/4 |
3_555 |
6 |
1 |
293 |
71.7 |
0.8 |
0.286 |
0 |
0 |
0 |
0.000 |
Average: |
72.4 |
0.9 |
0.297 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
[BGC]A:703 |
7 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
6035 |
72.9 |
0.4 |
0.232 |
1 |
0 |
0 |
0.000 |
13 |
|
[BGC]B:603 |
7 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
5989 |
72.3 |
0.6 |
0.252 |
1 |
0 |
0 |
0.000 |
Average: |
72.6 |
0.5 |
0.242 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
[BGC]A:702 |
7 |
1 |
295 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
16 |
6 |
6035 |
69.4 |
1.0 |
0.315 |
1 |
0 |
0 |
0.000 |
15 |
|
[BGC]B:602 |
7 |
1 |
293 |
◊ |
B |
-y+1,x,z+1/4 |
3_655 |
15 |
5 |
5989 |
67.7 |
1.0 |
0.309 |
1 |
0 |
0 |
0.000 |
Average: |
68.5 |
1.0 |
0.312 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
[BGC]A:704 |
8 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
6035 |
67.8 |
1.0 |
0.317 |
1 |
0 |
0 |
0.000 |
17 |
|
[BGC]B:604 |
8 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
5989 |
67.1 |
1.1 |
0.313 |
1 |
0 |
0 |
0.000 |
Average: |
67.4 |
1.0 |
0.315 |
1 |
0 |
0 |
0.000 |
11 |
18 |
|
[BGC]B:606 |
6 |
1 |
295 |
cf |
[BGC]B:605 |
x,y,z |
1_555 |
5 |
1 |
295 |
56.4 |
1.3 |
0.146 |
1 |
0 |
0 |
0.000 |
19 |
|
[BGC]A:706 |
6 |
1 |
292 |
cf |
[BGC]A:705 |
x,y,z |
1_555 |
6 |
1 |
293 |
55.1 |
1.3 |
0.114 |
1 |
0 |
0 |
0.000 |
Average: |
55.7 |
1.3 |
0.130 |
1 |
0 |
0 |
0.000 |
12 |
20 |
|
[BGC]A:702 |
6 |
1 |
295 |
cf |
[BGC]A:701 |
x,y,z |
1_555 |
5 |
1 |
306 |
51.4 |
1.2 |
0.157 |
0 |
0 |
0 |
0.000 |
21 |
|
[BGC]B:602 |
6 |
1 |
293 |
cf |
[BGC]B:601 |
x,y,z |
1_555 |
5 |
1 |
305 |
51.3 |
1.2 |
0.154 |
0 |
0 |
0 |
0.000 |
Average: |
51.3 |
1.2 |
0.155 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[BGC]B:605 |
6 |
1 |
295 |
cf |
[BGC]B:604 |
x,y,z |
1_555 |
5 |
1 |
293 |
46.0 |
1.3 |
0.162 |
0 |
0 |
0 |
0.000 |
23 |
|
[BGC]A:705 |
6 |
1 |
293 |
cf |
[BGC]A:704 |
x,y,z |
1_555 |
5 |
1 |
292 |
45.6 |
1.4 |
0.173 |
0 |
0 |
0 |
0.000 |
Average: |
45.8 |
1.3 |
0.168 |
0 |
0 |
0 |
0.000 |
14 |
24 |
|
[BGC]B:604 |
6 |
1 |
293 |
cf |
[BGC]B:603 |
x,y,z |
1_555 |
5 |
1 |
292 |
43.7 |
1.0 |
0.150 |
0 |
0 |
0 |
0.000 |
25 |
|
[BGC]A:704 |
6 |
1 |
292 |
cf |
[BGC]A:703 |
x,y,z |
1_555 |
5 |
1 |
295 |
43.2 |
1.1 |
0.155 |
0 |
0 |
0 |
0.000 |
Average: |
43.5 |
1.0 |
0.153 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[BGC]A:703 |
7 |
1 |
295 |
◊ |
[BGC]A:705 |
-y,x,z+1/4 |
3_555 |
7 |
1 |
293 |
42.7 |
1.8 |
0.160 |
0 |
0 |
0 |
0.000 |
27 |
|
[BGC]B:603 |
8 |
1 |
292 |
◊ |
[BGC]B:605 |
-y+1,x,z+1/4 |
3_655 |
7 |
1 |
295 |
41.9 |
1.8 |
0.145 |
0 |
0 |
0 |
0.000 |
Average: |
42.3 |
1.8 |
0.153 |
0 |
0 |
0 |
0.000 |
16 |
28 |
|
[BGC]A:703 |
6 |
1 |
295 |
cf |
[BGC]A:702 |
x,y,z |
1_555 |
5 |
1 |
295 |
42.5 |
1.1 |
0.144 |
0 |
0 |
0 |
0.000 |
29 |
|
[BGC]B:603 |
6 |
1 |
292 |
cf |
[BGC]B:602 |
x,y,z |
1_555 |
5 |
1 |
293 |
42.5 |
1.1 |
0.144 |
0 |
0 |
0 |
0.000 |
Average: |
42.5 |
1.1 |
0.144 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
[BGC]B:602 |
8 |
1 |
293 |
◊ |
[BGC]B:604 |
-y+1,x,z+1/4 |
3_655 |
8 |
1 |
293 |
41.8 |
1.8 |
0.129 |
1 |
0 |
0 |
0.000 |
31 |
|
[BGC]A:702 |
8 |
1 |
295 |
◊ |
[BGC]A:704 |
-y,x,z+1/4 |
3_555 |
7 |
1 |
292 |
40.9 |
1.7 |
0.160 |
1 |
0 |
0 |
0.000 |
Average: |
41.4 |
1.7 |
0.145 |
1 |
0 |
0 |
0.000 |
18 |
32 |
|
[BGC]B:601 |
8 |
1 |
305 |
◊ |
[BGC]B:603 |
-y+1,x,z+1/4 |
3_655 |
7 |
1 |
292 |
41.6 |
1.9 |
0.166 |
0 |
0 |
0 |
0.000 |
33 |
|
[BGC]A:701 |
8 |
1 |
306 |
◊ |
[BGC]A:703 |
-y,x,z+1/4 |
3_555 |
7 |
1 |
295 |
40.7 |
1.9 |
0.176 |
0 |
0 |
0 |
0.000 |
34 |
|
[BGC]B:604 |
6 |
1 |
293 |
◊ |
[BGC]B:606 |
-y+1,x,z+1/4 |
3_655 |
4 |
1 |
295 |
30.2 |
1.6 |
0.236 |
0 |
0 |
0 |
0.000 |
35 |
|
[BGC]A:704 |
5 |
1 |
292 |
◊ |
[BGC]A:706 |
-y,x,z+1/4 |
3_555 |
4 |
1 |
292 |
28.3 |
1.5 |
0.314 |
0 |
0 |
0 |
0.000 |
Average: |
35.2 |
1.7 |
0.223 |
0 |
0 |
0 |
0.000 |
19 |
36 |
|
[BGC]B:603 |
6 |
1 |
292 |
◊ |
[BGC]B:606 |
-y+1,x,z+1/4 |
3_655 |
4 |
1 |
295 |
38.6 |
1.9 |
0.233 |
0 |
0 |
0 |
0.000 |
37 |
|
[BGC]A:703 |
5 |
1 |
295 |
◊ |
[BGC]A:706 |
-y,x,z+1/4 |
3_555 |
4 |
1 |
292 |
38.1 |
1.8 |
0.290 |
0 |
0 |
0 |
0.000 |
Average: |
38.3 |
1.8 |
0.262 |
0 |
0 |
0 |
0.000 |
20 |
38 |
|
[BGC]B:601 |
6 |
1 |
305 |
◊ |
[BGC]B:604 |
-y+1,x,z+1/4 |
3_655 |
4 |
1 |
293 |
36.5 |
1.7 |
0.257 |
0 |
0 |
0 |
0.000 |
39 |
|
[BGC]A:701 |
5 |
1 |
306 |
◊ |
[BGC]A:704 |
-y,x,z+1/4 |
3_555 |
4 |
1 |
292 |
36.1 |
1.7 |
0.324 |
0 |
0 |
0 |
0.000 |
Average: |
36.3 |
1.7 |
0.290 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
[BGC]B:602 |
6 |
1 |
293 |
◊ |
[BGC]B:605 |
-y+1,x,z+1/4 |
3_655 |
4 |
1 |
295 |
36.1 |
1.6 |
0.229 |
0 |
0 |
0 |
0.000 |
41 |
|
[BGC]A:702 |
5 |
1 |
295 |
◊ |
[BGC]A:705 |
-y,x,z+1/4 |
3_555 |
4 |
1 |
293 |
35.1 |
1.6 |
0.301 |
0 |
0 |
0 |
0.000 |
Average: |
35.6 |
1.6 |
0.265 |
0 |
0 |
0 |
0.000 |
22 |
42 |
|
[BGC]A:701 |
3 |
1 |
306 |
◊ |
[BGC]A:705 |
-y,x,z+1/4 |
3_555 |
3 |
1 |
293 |
24.8 |
0.7 |
0.309 |
0 |
0 |
0 |
0.000 |
43 |
|
[BGC]B:601 |
3 |
1 |
305 |
◊ |
[BGC]B:605 |
-y+1,x,z+1/4 |
3_655 |
2 |
1 |
295 |
23.9 |
0.7 |
0.295 |
0 |
0 |
0 |
0.000 |
Average: |
24.3 |
0.7 |
0.302 |
0 |
0 |
0 |
0.000 |
23 |
44 |
|
[BGC]B:602 |
3 |
1 |
293 |
◊ |
[BGC]B:606 |
-y+1,x,z+1/4 |
3_655 |
3 |
1 |
295 |
21.6 |
0.7 |
0.293 |
0 |
0 |
0 |
0.000 |
45 |
|
[BGC]A:702 |
3 |
1 |
295 |
◊ |
[BGC]A:706 |
-y,x,z+1/4 |
3_555 |
3 |
1 |
292 |
20.6 |
0.6 |
0.273 |
0 |
0 |
0 |
0.000 |
Average: |
21.1 |
0.6 |
0.283 |
0 |
0 |
0 |
0.000 |
24 |
46 |
|
A |
6 |
3 |
6035 |
◊ |
B |
-y+1,x,z+1/4 |
3_655 |
5 |
2 |
5989 |
20.2 |
0.3 |
0.650 |
0 |
0 |
0 |
0.000 |
25 |
47 |
|
[BGC]A:702 |
1 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
6035 |
17.0 |
-0.7 |
0.198 |
0 |
0 |
0 |
0.000 |
48 |
|
[BGC]B:602 |
1 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
5989 |
16.4 |
-0.6 |
0.206 |
0 |
0 |
0 |
0.000 |
Average: |
16.7 |
-0.7 |
0.202 |
0 |
0 |
0 |
0.000 |
26 |
49 |
|
A |
3 |
2 |
6035 |
◊ |
[BGC]A:704 |
-y,x,z+1/4 |
3_555 |
2 |
1 |
292 |
14.8 |
-0.1 |
0.307 |
0 |
0 |
0 |
0.000 |
50 |
|
B |
3 |
2 |
5989 |
◊ |
[BGC]B:604 |
-y+1,x,z+1/4 |
3_655 |
2 |
1 |
293 |
14.1 |
0.1 |
0.305 |
0 |
0 |
0 |
0.000 |
Average: |
14.4 |
-0.0 |
0.306 |
0 |
0 |
0 |
0.000 |
27 |
51 |
|
A |
1 |
1 |
6035 |
◊ |
[BGC]A:701 |
-x,-y,z-1/2 |
2_554 |
3 |
1 |
306 |
13.5 |
0.4 |
0.524 |
0 |
0 |
0 |
0.000 |
52 |
|
B |
2 |
1 |
5989 |
◊ |
[BGC]B:601 |
-x+1,-y+1,z-1/2 |
2_664 |
2 |
1 |
305 |
10.9 |
0.5 |
0.464 |
0 |
0 |
0 |
0.000 |
Average: |
12.2 |
0.5 |
0.494 |
0 |
0 |
0 |
0.000 |
28 |
53 |
|
[BGC]A:701 |
5 |
1 |
306 |
◊ |
[BGC]A:702 |
-y,x,z+1/4 |
3_555 |
2 |
1 |
295 |
12.7 |
0.3 |
0.200 |
0 |
0 |
0 |
0.000 |
54 |
|
[BGC]B:601 |
5 |
1 |
305 |
◊ |
[BGC]B:602 |
-y+1,x,z+1/4 |
3_655 |
2 |
1 |
293 |
11.8 |
0.3 |
0.200 |
0 |
0 |
0 |
0.000 |
Average: |
12.2 |
0.3 |
0.200 |
0 |
0 |
0 |
0.000 |
29 |
55 |
|
[BGC]A:703 |
3 |
1 |
295 |
◊ |
[BGC]A:704 |
-y,x,z+1/4 |
3_555 |
2 |
1 |
292 |
9.5 |
0.2 |
0.247 |
0 |
0 |
0 |
0.000 |
56 |
|
[BGC]B:603 |
3 |
1 |
292 |
◊ |
[BGC]B:604 |
-y+1,x,z+1/4 |
3_655 |
2 |
1 |
293 |
8.4 |
0.2 |
0.247 |
0 |
0 |
0 |
0.000 |
Average: |
8.9 |
0.2 |
0.247 |
0 |
0 |
0 |
0.000 |
30 |
57 |
|
[BGC]B:605 |
2 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
5989 |
4.5 |
0.1 |
0.455 |
0 |
0 |
0 |
0.000 |
58 |
|
[BGC]A:705 |
2 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
6035 |
4.3 |
0.1 |
0.455 |
0 |
0 |
0 |
0.000 |
Average: |
4.4 |
0.1 |
0.455 |
0 |
0 |
0 |
0.000 |
31 |
59 |
|
[BGC]B:602 |
1 |
1 |
293 |
◊ |
[BGC]B:603 |
-y+1,x,z+1/4 |
3_655 |
1 |
1 |
292 |
3.5 |
0.2 |
0.182 |
0 |
0 |
0 |
0.000 |
60 |
|
[BGC]A:702 |
1 |
1 |
295 |
◊ |
[BGC]A:703 |
-y,x,z+1/4 |
3_555 |
1 |
1 |
295 |
3.5 |
0.2 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
3.5 |
0.2 |
0.182 |
0 |
0 |
0 |
0.000 |
32 |
61 |
|
[BGC]A:703 |
1 |
1 |
295 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
1 |
1 |
6035 |
3.0 |
0.1 |
0.371 |
0 |
0 |
0 |
0.000 |
62 |
|
[BGC]B:603 |
1 |
1 |
292 |
◊ |
B |
-y+1,x,z+1/4 |
3_655 |
1 |
1 |
5989 |
2.4 |
0.1 |
0.367 |
0 |
0 |
0 |
0.000 |
Average: |
2.7 |
0.1 |
0.369 |
0 |
0 |
0 |
0.000 |
33 |
63 |
|
[BGC]A:705 |
1 |
1 |
293 |
f |
[BGC]A:703 |
x,y,z |
1_555 |
1 |
1 |
295 |
2.4 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
64 |
|
[BGC]B:605 |
1 |
1 |
295 |
f |
[BGC]B:603 |
x,y,z |
1_555 |
1 |
1 |
292 |
2.3 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
2.3 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
34 |
65 |
|
[BGC]B:603 |
1 |
1 |
292 |
f |
[BGC]B:601 |
x,y,z |
1_555 |
1 |
1 |
305 |
1.9 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
66 |
|
[BGC]A:703 |
1 |
1 |
295 |
f |
[BGC]A:701 |
x,y,z |
1_555 |
1 |
1 |
306 |
1.9 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
Average: |
1.9 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
35 |
67 |
|
[BGC]A:704 |
1 |
1 |
292 |
f |
[BGC]A:702 |
x,y,z |
1_555 |
1 |
1 |
295 |
1.6 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
68 |
|
[BGC]B:604 |
1 |
1 |
293 |
f |
[BGC]B:602 |
x,y,z |
1_555 |
1 |
1 |
293 |
1.5 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
1.5 |
0.1 |
0.182 |
0 |
0 |
0 |
0.000 |
36 |
69 |
|
[BGC]A:704 |
1 |
1 |
292 |
◊ |
[BGC]A:705 |
-y,x,z+1/4 |
3_555 |
1 |
1 |
293 |
1.0 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
70 |
|
[BGC]B:604 |
1 |
1 |
293 |
◊ |
[BGC]B:605 |
-y+1,x,z+1/4 |
3_655 |
1 |
1 |
295 |
0.7 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
0.8 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
37 |
71 |
|
[BGC]A:706 |
1 |
1 |
292 |
f |
[BGC]A:704 |
x,y,z |
1_555 |
1 |
1 |
292 |
1.0 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
72 |
|
[BGC]B:606 |
1 |
1 |
295 |
f |
[BGC]B:604 |
x,y,z |
1_555 |
1 |
1 |
293 |
0.8 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
0.9 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
38 |
73 |
|
[BGC]B:605 |
1 |
1 |
295 |
◊ |
[BGC]B:606 |
-y+1,x,z+1/4 |
3_655 |
1 |
1 |
295 |
0.6 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
74 |
|
[BGC]A:705 |
1 |
1 |
293 |
◊ |
[BGC]A:706 |
-y,x,z+1/4 |
3_555 |
1 |
1 |
292 |
0.5 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
Average: |
0.6 |
0.0 |
0.182 |
0 |
0 |
0 |
0.000 |
|