## |
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 |
69 |
25 |
14041 |
◊ |
A |
x,y,z |
1_555 |
73 |
26 |
14126 |
654.3 |
-3.5 |
0.528 |
5 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
62 |
17 |
14126 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
64 |
20 |
14041 |
548.3 |
-3.6 |
0.468 |
6 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
44 |
14 |
14126 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
49 |
16 |
14041 |
431.7 |
-2.9 |
0.460 |
6 |
1 |
0 |
0.000 |
4 |
4 |
|
B |
17 |
9 |
14041 |
◊ |
A |
x-1/2,-y+5/2,-z |
4_475 |
23 |
9 |
14126 |
163.7 |
-0.7 |
0.540 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
[1PE]B:1011 |
11 |
1 |
463 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
14041 |
160.0 |
-0.8 |
0.557 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[G2F]A:1001 |
10 |
1 |
295 |
cf |
A |
x,y,z |
1_555 |
26 |
13 |
14126 |
150.5 |
3.0 |
0.444 |
3 |
0 |
0 |
0.000 |
7 |
|
[G2F]B:1001 |
10 |
1 |
294 |
cf |
B |
x,y,z |
1_555 |
24 |
13 |
14041 |
147.6 |
2.8 |
0.437 |
3 |
0 |
0 |
0.000 |
Average: |
149.1 |
2.9 |
0.440 |
3 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
14 |
5 |
14126 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
5 |
14041 |
139.0 |
-2.4 |
0.168 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[PGE]A:1010 |
10 |
1 |
342 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
14126 |
123.5 |
3.5 |
0.188 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[XYS]A:1006 |
8 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
14126 |
111.9 |
1.7 |
0.389 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
[XYS]B:1007 |
8 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
14041 |
111.6 |
1.5 |
0.376 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
[1PE]B:1011 |
13 |
1 |
463 |
f |
[PGE]A:1010 |
x,y,z |
1_555 |
9 |
1 |
342 |
108.6 |
1.7 |
0.134 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[MES]B:1010 |
11 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
14041 |
106.8 |
2.5 |
0.041 |
0 |
0 |
0 |
0.000 |
14 |
|
[MES]A:1012 |
11 |
1 |
339 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
14126 |
102.5 |
2.0 |
0.024 |
0 |
0 |
0 |
0.000 |
Average: |
104.6 |
2.2 |
0.032 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[PGE]A:1011 |
9 |
1 |
340 |
◊ |
A |
x,y,z |
1_555 |
18 |
2 |
14126 |
98.7 |
1.1 |
0.109 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[BGC]B:1002 |
10 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
14041 |
92.3 |
2.2 |
0.462 |
4 |
0 |
0 |
0.000 |
17 |
|
[BGC]A:1002 |
10 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
14126 |
92.0 |
2.2 |
0.463 |
4 |
0 |
0 |
0.000 |
Average: |
92.2 |
2.2 |
0.462 |
4 |
0 |
0 |
0.000 |
15 |
18 |
|
[XYS]A:1005 |
8 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
14126 |
91.2 |
1.3 |
0.380 |
0 |
0 |
0 |
0.000 |
19 |
|
[XYS]B:1006 |
8 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
14041 |
90.9 |
1.1 |
0.364 |
0 |
0 |
0 |
0.000 |
Average: |
91.1 |
1.2 |
0.372 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[GOL]A:1008 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
14126 |
82.4 |
-0.7 |
0.408 |
2 |
0 |
0 |
0.000 |
17 |
21 |
|
[GOL]B:1008 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14041 |
79.2 |
-0.3 |
0.426 |
2 |
0 |
0 |
0.000 |
18 |
22 |
|
[SO4]B:1009 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14041 |
71.3 |
-10.6 |
0.584 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[GOL]A:1007 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14126 |
69.5 |
-0.8 |
0.360 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[BGC]A:1003 |
8 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
16 |
3 |
14126 |
66.1 |
1.5 |
0.368 |
1 |
0 |
0 |
0.000 |
25 |
|
[BGC]B:1003 |
9 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
14041 |
65.4 |
1.3 |
0.348 |
1 |
0 |
0 |
0.000 |
Average: |
65.7 |
1.4 |
0.358 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[XYS]B:1005 |
6 |
1 |
257 |
cf |
[BGC]B:1004 |
x,y,z |
1_555 |
4 |
1 |
292 |
59.7 |
2.4 |
0.345 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[SO4]A:1009 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14126 |
59.6 |
-6.6 |
0.946 |
3 |
0 |
0 |
0.000 |
23 |
28 |
|
[MES]B:1010 |
4 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
14126 |
58.9 |
1.7 |
0.371 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[MES]A:1012 |
3 |
1 |
339 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14041 |
58.0 |
1.6 |
0.464 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[BGC]A:1004 |
6 |
1 |
294 |
cf |
[BGC]A:1003 |
x,y,z |
1_555 |
5 |
1 |
293 |
56.4 |
1.1 |
0.139 |
0 |
0 |
0 |
0.000 |
31 |
|
[BGC]B:1004 |
6 |
1 |
292 |
cf |
[BGC]B:1003 |
x,y,z |
1_555 |
5 |
1 |
295 |
55.5 |
1.2 |
0.177 |
0 |
0 |
0 |
0.000 |
Average: |
55.9 |
1.1 |
0.158 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[BGC]A:1002 |
6 |
1 |
295 |
cf |
[G2F]A:1001 |
x,y,z |
1_555 |
6 |
1 |
295 |
53.0 |
1.0 |
0.118 |
0 |
0 |
0 |
0.000 |
33 |
|
[BGC]B:1002 |
6 |
1 |
296 |
cf |
[G2F]B:1001 |
x,y,z |
1_555 |
6 |
1 |
294 |
53.0 |
0.8 |
0.101 |
0 |
0 |
0 |
0.000 |
Average: |
53.0 |
0.9 |
0.110 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[XYS]A:1006 |
5 |
1 |
260 |
cf |
[BGC]A:1003 |
x,y,z |
1_555 |
6 |
1 |
293 |
52.6 |
1.8 |
0.219 |
0 |
0 |
0 |
0.000 |
35 |
|
[XYS]B:1007 |
5 |
1 |
257 |
cf |
[BGC]B:1003 |
x,y,z |
1_555 |
6 |
1 |
295 |
51.5 |
1.7 |
0.231 |
0 |
0 |
0 |
0.000 |
Average: |
52.1 |
1.8 |
0.225 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[MES]B:1010 |
8 |
1 |
334 |
f |
[BGC]A:1003 |
x,y,z |
1_555 |
5 |
1 |
293 |
51.0 |
2.2 |
0.031 |
0 |
0 |
0 |
0.000 |
37 |
|
[MES]A:1012 |
7 |
1 |
339 |
f |
[BGC]B:1003 |
x,y,z |
1_555 |
5 |
1 |
295 |
47.8 |
2.1 |
0.055 |
0 |
0 |
0 |
0.000 |
Average: |
49.4 |
2.1 |
0.043 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[XYS]B:1006 |
6 |
1 |
257 |
cf |
[BGC]B:1002 |
x,y,z |
1_555 |
5 |
1 |
296 |
48.7 |
2.0 |
0.268 |
0 |
0 |
0 |
0.000 |
39 |
|
[XYS]A:1005 |
5 |
1 |
257 |
cf |
[BGC]A:1002 |
x,y,z |
1_555 |
5 |
1 |
295 |
48.3 |
1.9 |
0.305 |
0 |
0 |
0 |
0.000 |
Average: |
48.5 |
2.0 |
0.287 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[BGC]B:1003 |
6 |
1 |
295 |
cf |
[BGC]B:1002 |
x,y,z |
1_555 |
5 |
1 |
296 |
47.6 |
0.9 |
0.142 |
0 |
0 |
0 |
0.000 |
41 |
|
[BGC]A:1003 |
6 |
1 |
293 |
cf |
[BGC]A:1002 |
x,y,z |
1_555 |
5 |
1 |
295 |
47.0 |
0.9 |
0.127 |
0 |
0 |
0 |
0.000 |
Average: |
47.3 |
0.9 |
0.135 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
[1PE]B:1011 |
3 |
1 |
463 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14126 |
45.5 |
-0.8 |
0.396 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
[BGC]A:1004 |
4 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
14126 |
44.2 |
1.0 |
0.427 |
1 |
0 |
0 |
0.000 |
44 |
|
[BGC]B:1004 |
4 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14041 |
42.8 |
0.9 |
0.410 |
0 |
0 |
0 |
0.000 |
Average: |
43.5 |
1.0 |
0.419 |
1 |
0 |
0 |
0.000 |
33 |
45 |
|
A |
5 |
3 |
14126 |
x |
A |
x-1,y,z |
1_455 |
9 |
3 |
14126 |
42.1 |
-0.8 |
0.324 |
0 |
0 |
0 |
0.000 |
34 |
46 |
|
[MES]A:1012 |
6 |
1 |
339 |
f |
[XYS]B:1005 |
x,y,z |
1_555 |
3 |
1 |
257 |
39.9 |
1.6 |
0.035 |
0 |
0 |
0 |
0.000 |
35 |
47 |
|
[PGE]A:1011 |
3 |
1 |
340 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14041 |
38.9 |
0.2 |
0.237 |
0 |
0 |
0 |
0.000 |
36 |
48 |
|
A |
7 |
3 |
14126 |
x |
A |
x-1/2,-y+5/2,-z |
4_475 |
4 |
3 |
14126 |
36.0 |
-0.3 |
0.483 |
0 |
0 |
0 |
0.000 |
37 |
49 |
|
[MES]B:1010 |
2 |
1 |
334 |
f |
[XYS]A:1005 |
x,y,z |
1_555 |
3 |
1 |
257 |
35.9 |
1.9 |
0.433 |
0 |
0 |
0 |
0.000 |
50 |
|
[MES]A:1012 |
2 |
1 |
339 |
f |
[XYS]B:1006 |
x,y,z |
1_555 |
3 |
1 |
257 |
34.0 |
1.8 |
0.375 |
0 |
0 |
0 |
0.000 |
Average: |
34.9 |
1.9 |
0.404 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
[XYS]B:1006 |
3 |
1 |
257 |
f |
[G2F]B:1001 |
x,y,z |
1_555 |
6 |
1 |
294 |
35.4 |
1.6 |
0.216 |
0 |
0 |
0 |
0.000 |
52 |
|
[XYS]A:1005 |
3 |
1 |
257 |
f |
[G2F]A:1001 |
x,y,z |
1_555 |
5 |
1 |
295 |
34.2 |
1.4 |
0.250 |
0 |
0 |
0 |
0.000 |
Average: |
34.8 |
1.5 |
0.233 |
0 |
0 |
0 |
0.000 |
39 |
53 |
|
[PGE]A:1010 |
2 |
1 |
342 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
14041 |
33.1 |
0.6 |
0.373 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
[XYS]B:1007 |
2 |
1 |
257 |
f |
[BGC]B:1004 |
x,y,z |
1_555 |
5 |
1 |
292 |
27.9 |
1.5 |
0.329 |
0 |
0 |
0 |
0.000 |
41 |
55 |
|
[XYS]B:1007 |
3 |
1 |
257 |
f |
[BGC]B:1002 |
x,y,z |
1_555 |
3 |
1 |
296 |
26.8 |
-0.0 |
0.159 |
0 |
0 |
0 |
0.000 |
42 |
56 |
|
[MES]B:1010 |
4 |
1 |
334 |
f |
[BGC]A:1004 |
x,y,z |
1_555 |
3 |
1 |
294 |
25.6 |
0.8 |
0.080 |
0 |
0 |
0 |
0.000 |
43 |
57 |
|
[XYS]A:1006 |
3 |
1 |
260 |
f |
[BGC]A:1002 |
x,y,z |
1_555 |
3 |
1 |
295 |
25.5 |
-0.1 |
0.161 |
0 |
0 |
0 |
0.000 |
44 |
58 |
|
[XYS]A:1006 |
2 |
1 |
260 |
f |
[BGC]A:1004 |
x,y,z |
1_555 |
3 |
1 |
294 |
24.9 |
1.4 |
0.352 |
0 |
0 |
0 |
0.000 |
45 |
59 |
|
[MES]A:1012 |
4 |
1 |
339 |
f |
[BGC]B:1004 |
x,y,z |
1_555 |
3 |
1 |
292 |
24.1 |
0.9 |
0.069 |
0 |
0 |
0 |
0.000 |
46 |
60 |
|
[MES]B:1010 |
4 |
1 |
334 |
f |
[BGC]A:1002 |
x,y,z |
1_555 |
3 |
1 |
295 |
22.9 |
1.1 |
0.113 |
0 |
0 |
0 |
0.000 |
61 |
|
[MES]A:1012 |
3 |
1 |
339 |
f |
[BGC]B:1002 |
x,y,z |
1_555 |
3 |
1 |
296 |
19.7 |
1.0 |
0.179 |
0 |
0 |
0 |
0.000 |
Average: |
21.3 |
1.1 |
0.146 |
0 |
0 |
0 |
0.000 |
47 |
62 |
|
[XYS]B:1006 |
2 |
1 |
257 |
f |
[BGC]B:1003 |
x,y,z |
1_555 |
2 |
1 |
295 |
15.0 |
0.7 |
0.323 |
0 |
0 |
0 |
0.000 |
63 |
|
[XYS]A:1005 |
2 |
1 |
257 |
f |
[BGC]A:1003 |
x,y,z |
1_555 |
2 |
1 |
293 |
13.5 |
0.6 |
0.323 |
0 |
0 |
0 |
0.000 |
Average: |
14.2 |
0.6 |
0.323 |
0 |
0 |
0 |
0.000 |
48 |
64 |
|
[XYS]B:1005 |
2 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14126 |
14.4 |
0.1 |
0.392 |
0 |
0 |
0 |
0.000 |
49 |
65 |
|
[XYS]B:1006 |
1 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14126 |
13.3 |
0.3 |
0.436 |
0 |
0 |
0 |
0.000 |
66 |
|
[XYS]A:1005 |
1 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14041 |
11.6 |
0.3 |
0.435 |
0 |
0 |
0 |
0.000 |
Average: |
12.4 |
0.3 |
0.436 |
0 |
0 |
0 |
0.000 |
50 |
67 |
|
[XYS]B:1005 |
2 |
1 |
257 |
f |
[BGC]B:1003 |
x,y,z |
1_555 |
1 |
1 |
295 |
10.7 |
0.3 |
0.232 |
0 |
0 |
0 |
0.000 |
51 |
68 |
|
A |
1 |
1 |
14126 |
◊ |
[SO4]A:1009 |
x-1,y,z |
1_455 |
1 |
1 |
186 |
1.9 |
-0.2 |
0.844 |
0 |
0 |
0 |
0.000 |
|