## |
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 |
64 |
26 |
13922 |
◊ |
A |
x,y,z |
1_555 |
70 |
26 |
13967 |
607.2 |
-3.0 |
0.624 |
6 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
49 |
16 |
13967 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
52 |
19 |
13922 |
484.6 |
-3.9 |
0.431 |
5 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
45 |
14 |
13967 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
49 |
16 |
13922 |
427.7 |
-3.4 |
0.410 |
4 |
1 |
0 |
0.000 |
4 |
4 |
|
[NBG]B:501 |
15 |
1 |
377 |
cf |
B |
x,y,z |
1_555 |
32 |
15 |
13922 |
202.3 |
3.5 |
0.350 |
3 |
0 |
0 |
0.000 |
5 |
|
[NBG]A:501 |
14 |
1 |
375 |
cf |
A |
x,y,z |
1_555 |
29 |
14 |
13967 |
202.2 |
3.6 |
0.408 |
3 |
0 |
0 |
0.000 |
Average: |
202.2 |
3.6 |
0.379 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
19 |
8 |
13922 |
◊ |
A |
x-1/2,-y+5/2,-z |
4_475 |
32 |
13 |
13967 |
201.8 |
-1.2 |
0.504 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
16 |
5 |
13967 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
7 |
13922 |
135.1 |
-2.8 |
0.172 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[XYS]B:504 |
9 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
13922 |
114.5 |
1.7 |
0.313 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[XYS]A:505 |
8 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
13967 |
111.6 |
1.7 |
0.393 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[XYS]A:503 |
8 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
13967 |
103.3 |
1.0 |
0.385 |
0 |
0 |
0 |
0.000 |
11 |
|
[XYS]B:502 |
8 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
13922 |
103.1 |
1.1 |
0.373 |
0 |
0 |
0 |
0.000 |
Average: |
103.2 |
1.0 |
0.379 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[BGC]B:503 |
10 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
13922 |
95.5 |
2.1 |
0.438 |
4 |
0 |
0 |
0.000 |
13 |
|
[BGC]A:502 |
10 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
13967 |
95.5 |
2.3 |
0.472 |
4 |
0 |
0 |
0.000 |
Average: |
95.5 |
2.2 |
0.455 |
4 |
0 |
0 |
0.000 |
11 |
14 |
|
[GOL]B:509 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
13922 |
87.3 |
-0.5 |
0.489 |
1 |
0 |
0 |
0.099 |
12 |
15 |
|
[BGC]B:505 |
7 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
16 |
3 |
13922 |
76.4 |
1.4 |
0.468 |
1 |
0 |
0 |
0.000 |
16 |
|
[BGC]A:504 |
7 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
16 |
3 |
13967 |
74.7 |
1.4 |
0.465 |
1 |
0 |
0 |
0.000 |
Average: |
75.6 |
1.4 |
0.467 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
[GOL]A:508 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
13967 |
75.2 |
-0.8 |
0.396 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[GOL]A:509 |
5 |
1 |
218 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
6 |
13922 |
72.8 |
0.2 |
0.677 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[GOL]A:507 |
4 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13967 |
71.5 |
0.4 |
0.652 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[SO4]B:511 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
13922 |
70.6 |
-10.5 |
0.650 |
2 |
0 |
0 |
1.000 |
17 |
21 |
|
A |
7 |
3 |
13967 |
x |
A |
x-1,y,z |
1_455 |
12 |
3 |
13967 |
70.6 |
-0.6 |
0.421 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[GOL]B:508 |
4 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
13922 |
64.0 |
-0.2 |
0.438 |
2 |
0 |
0 |
0.116 |
19 |
23 |
|
[BGC]B:507 |
7 |
1 |
291 |
cf |
[BGC]B:505 |
x,y,z |
1_555 |
5 |
1 |
292 |
62.6 |
1.2 |
0.148 |
0 |
0 |
0 |
0.000 |
24 |
|
[BGC]A:506 |
6 |
1 |
293 |
cf |
[BGC]A:504 |
x,y,z |
1_555 |
5 |
1 |
292 |
61.0 |
1.2 |
0.168 |
0 |
0 |
0 |
0.000 |
Average: |
61.8 |
1.2 |
0.158 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[XYS]B:506 |
6 |
1 |
255 |
cf |
[BGC]B:507 |
x,y,z |
1_555 |
4 |
1 |
291 |
60.7 |
2.2 |
0.357 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
A |
7 |
3 |
13967 |
x |
A |
x-1/2,-y+5/2,-z |
4_475 |
8 |
4 |
13967 |
58.3 |
-0.4 |
0.525 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[BGC]B:503 |
8 |
1 |
297 |
cf |
[NBG]B:501 |
x,y,z |
1_555 |
5 |
1 |
377 |
55.9 |
0.9 |
0.090 |
0 |
0 |
0 |
0.000 |
28 |
|
[BGC]A:502 |
8 |
1 |
292 |
cf |
[NBG]A:501 |
x,y,z |
1_555 |
5 |
1 |
375 |
55.0 |
1.0 |
0.114 |
0 |
0 |
0 |
0.000 |
Average: |
55.4 |
1.0 |
0.102 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[XYS]A:505 |
5 |
1 |
259 |
cf |
[BGC]A:504 |
x,y,z |
1_555 |
6 |
1 |
292 |
55.8 |
1.9 |
0.235 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[XYS]B:504 |
5 |
1 |
257 |
cf |
[BGC]B:505 |
x,y,z |
1_555 |
6 |
1 |
292 |
55.1 |
1.8 |
0.236 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[BGC]B:505 |
7 |
1 |
292 |
cf |
[BGC]B:503 |
x,y,z |
1_555 |
5 |
1 |
297 |
54.9 |
1.1 |
0.140 |
0 |
0 |
0 |
0.000 |
32 |
|
[BGC]A:504 |
6 |
1 |
292 |
cf |
[BGC]A:502 |
x,y,z |
1_555 |
6 |
1 |
292 |
51.9 |
0.9 |
0.116 |
0 |
0 |
0 |
0.000 |
Average: |
53.4 |
1.0 |
0.128 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[CL]A:510 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
13967 |
52.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[CL]B:510 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13922 |
51.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.731 |
28 |
35 |
|
[XYS]A:503 |
5 |
1 |
259 |
cf |
[BGC]A:502 |
x,y,z |
1_555 |
5 |
1 |
292 |
50.6 |
2.2 |
0.319 |
0 |
0 |
0 |
0.000 |
36 |
|
[XYS]B:502 |
5 |
1 |
257 |
cf |
[BGC]B:503 |
x,y,z |
1_555 |
4 |
1 |
297 |
50.4 |
2.1 |
0.366 |
0 |
0 |
0 |
0.000 |
Average: |
50.5 |
2.1 |
0.343 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[BGC]A:506 |
4 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
13967 |
48.4 |
1.1 |
0.444 |
1 |
0 |
0 |
0.000 |
38 |
|
[BGC]B:507 |
4 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
13922 |
48.3 |
1.1 |
0.442 |
1 |
0 |
0 |
0.000 |
Average: |
48.3 |
1.1 |
0.443 |
1 |
0 |
0 |
0.000 |
30 |
39 |
|
[GOL]A:509 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13967 |
48.0 |
-0.9 |
0.466 |
0 |
0 |
0 |
0.000 |
31 |
40 |
|
[XYS]A:503 |
3 |
1 |
259 |
f |
[NBG]A:501 |
x,y,z |
1_555 |
6 |
1 |
375 |
39.2 |
1.6 |
0.243 |
0 |
0 |
0 |
0.000 |
41 |
|
[XYS]B:502 |
3 |
1 |
257 |
f |
[NBG]B:501 |
x,y,z |
1_555 |
5 |
1 |
377 |
38.3 |
1.4 |
0.257 |
0 |
0 |
0 |
0.000 |
Average: |
38.7 |
1.5 |
0.250 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[XYS]B:504 |
3 |
1 |
257 |
f |
[BGC]B:503 |
x,y,z |
1_555 |
4 |
1 |
297 |
26.8 |
-0.0 |
0.124 |
0 |
0 |
0 |
0.005 |
33 |
43 |
|
[XYS]A:505 |
2 |
1 |
259 |
f |
[BGC]A:506 |
x,y,z |
1_555 |
3 |
1 |
293 |
25.6 |
1.4 |
0.352 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[XYS]A:505 |
3 |
1 |
259 |
f |
[BGC]A:502 |
x,y,z |
1_555 |
3 |
1 |
292 |
24.7 |
-0.1 |
0.161 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[XYS]B:504 |
2 |
1 |
257 |
f |
[BGC]B:507 |
x,y,z |
1_555 |
3 |
1 |
291 |
22.8 |
1.3 |
0.305 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[SO4]B:511 |
4 |
1 |
187 |
◊ |
[BGC]A:504 |
x,y,z |
1_555 |
3 |
1 |
292 |
21.1 |
-2.0 |
0.555 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[SO4]B:511 |
3 |
1 |
187 |
◊ |
[BGC]A:506 |
x,y,z |
1_555 |
2 |
1 |
293 |
18.8 |
-1.6 |
0.536 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
[XYS]B:502 |
2 |
1 |
257 |
f |
[BGC]B:505 |
x,y,z |
1_555 |
2 |
1 |
292 |
16.2 |
0.7 |
0.323 |
0 |
0 |
0 |
0.000 |
39 |
49 |
|
[XYS]A:503 |
2 |
1 |
259 |
f |
[BGC]A:504 |
x,y,z |
1_555 |
2 |
1 |
292 |
15.7 |
0.6 |
0.323 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
[XYS]B:506 |
1 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13967 |
11.3 |
0.1 |
0.366 |
0 |
0 |
0 |
0.000 |
41 |
51 |
|
[XYS]A:503 |
1 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13922 |
10.3 |
0.2 |
0.434 |
0 |
0 |
0 |
0.000 |
52 |
|
[XYS]B:502 |
1 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13967 |
9.1 |
0.2 |
0.430 |
0 |
0 |
0 |
0.000 |
Average: |
9.7 |
0.2 |
0.432 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
[XYS]B:506 |
2 |
1 |
255 |
f |
[BGC]B:505 |
x,y,z |
1_555 |
1 |
1 |
292 |
9.9 |
0.4 |
0.232 |
0 |
0 |
0 |
0.000 |
|