## |
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 |
|
D |
244 |
43 |
5385 |
◊ |
B |
x,y,z |
1_555 |
353 |
89 |
11338 |
2931.5 |
-29.9 |
0.456 |
63 |
6 |
0 |
0.540 |
2 |
|
C |
249 |
43 |
5453 |
◊ |
A |
x,y,z |
1_555 |
353 |
88 |
11040 |
2927.7 |
-32.8 |
0.438 |
59 |
5 |
0 |
0.540 |
Average: |
2929.6 |
-31.4 |
0.447 |
61 |
6 |
0 |
0.540 |
2 |
3 |
|
A |
83 |
21 |
11040 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
82 |
21 |
11040 |
731.0 |
4.3 |
0.948 |
10 |
0 |
0 |
0.000 |
4 |
|
B |
69 |
22 |
11338 |
◊ |
B |
x,-y,-z |
4_555 |
69 |
22 |
11338 |
649.5 |
4.4 |
0.921 |
8 |
2 |
0 |
0.000 |
Average: |
690.3 |
4.3 |
0.935 |
9 |
1 |
0 |
0.000 |
3 |
5 |
|
A |
56 |
18 |
11040 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
61 |
19 |
11338 |
596.7 |
-6.3 |
0.302 |
3 |
0 |
0 |
0.000 |
6 |
|
B |
56 |
18 |
11338 |
◊ |
A |
x,y,z |
1_555 |
64 |
17 |
11040 |
552.7 |
-6.0 |
0.324 |
2 |
0 |
0 |
0.000 |
Average: |
574.7 |
-6.1 |
0.313 |
3 |
0 |
0 |
0.000 |
4 |
7 |
|
[15Z]B:1204 |
20 |
1 |
436 |
f |
B |
x,y,z |
1_555 |
55 |
17 |
11338 |
308.2 |
-6.2 |
0.310 |
2 |
0 |
0 |
0.064 |
8 |
|
[15Z]A:1205 |
20 |
1 |
439 |
f |
A |
x,y,z |
1_555 |
52 |
17 |
11040 |
307.5 |
-5.5 |
0.371 |
2 |
0 |
0 |
0.064 |
Average: |
307.8 |
-5.9 |
0.340 |
2 |
0 |
0 |
0.064 |
5 |
9 |
|
D |
25 |
8 |
5385 |
◊ |
D |
x,-y,-z |
4_555 |
25 |
8 |
5385 |
297.0 |
-0.8 |
0.790 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
21 |
8 |
5453 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
21 |
8 |
5453 |
162.3 |
3.7 |
0.969 |
8 |
0 |
0 |
0.000 |
Average: |
229.6 |
1.5 |
0.880 |
5 |
0 |
0 |
0.000 |
6 |
11 |
|
[PEG]D:1202 |
7 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
27 |
7 |
11338 |
147.9 |
2.7 |
0.361 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[PEG]A:1204 |
7 |
1 |
263 |
◊ |
A |
x,y,z |
1_555 |
26 |
7 |
11040 |
147.6 |
2.7 |
0.359 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
D |
15 |
7 |
5385 |
◊ |
B |
x,-y,-z |
4_555 |
15 |
6 |
11338 |
145.7 |
-1.9 |
0.349 |
0 |
0 |
0 |
0.000 |
14 |
|
C |
13 |
6 |
5453 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
15 |
4 |
11040 |
133.6 |
-2.2 |
0.329 |
1 |
0 |
0 |
0.000 |
Average: |
139.7 |
-2.0 |
0.339 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
[GOL]B:1203 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
29 |
11 |
11338 |
144.2 |
-0.7 |
0.523 |
2 |
0 |
0 |
0.014 |
10 |
16 |
|
[SO4]B:1202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11338 |
112.2 |
-18.2 |
0.688 |
5 |
0 |
0 |
0.184 |
11 |
17 |
|
[SO4]A:1202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11040 |
101.0 |
-15.4 |
0.859 |
6 |
0 |
0 |
0.163 |
12 |
18 |
|
C |
6 |
3 |
5453 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
11 |
5 |
11338 |
93.1 |
-1.1 |
0.418 |
0 |
0 |
0 |
0.000 |
19 |
|
D |
6 |
3 |
5385 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
11040 |
74.3 |
-1.1 |
0.446 |
0 |
0 |
0 |
0.000 |
Average: |
83.7 |
-1.1 |
0.432 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
B |
11 |
4 |
11338 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
11 |
4 |
11338 |
87.6 |
0.7 |
0.755 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[GOL]C:1201 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
5453 |
78.6 |
0.0 |
0.653 |
3 |
0 |
0 |
0.100 |
15 |
22 |
|
[SO4]A:1203 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
11040 |
74.1 |
-9.2 |
0.917 |
3 |
0 |
0 |
0.095 |
16 |
23 |
|
[SO4]D:1201 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
5385 |
73.9 |
-10.6 |
0.809 |
1 |
0 |
0 |
0.100 |
17 |
24 |
|
[SO4]D:1201 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11338 |
70.3 |
-8.0 |
0.902 |
3 |
0 |
0 |
0.084 |
18 |
25 |
|
[SO4]A:1203 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
5453 |
69.5 |
-10.0 |
0.761 |
1 |
0 |
0 |
0.094 |
19 |
26 |
|
[GOL]C:1201 |
5 |
1 |
220 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
15 |
6 |
5453 |
66.3 |
-0.1 |
0.587 |
2 |
0 |
0 |
0.000 |
20 |
27 |
|
A |
7 |
2 |
11040 |
◊ |
A |
x,-y-1,-z |
4_545 |
7 |
2 |
11040 |
64.8 |
0.5 |
0.769 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
C |
3 |
1 |
5453 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
8 |
3 |
11338 |
61.6 |
-1.3 |
0.224 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
6 |
2 |
11040 |
◊ |
D |
x-1/2,-y-1/2,-z |
8_445 |
3 |
1 |
5385 |
56.0 |
-1.7 |
0.171 |
0 |
0 |
0 |
0.000 |
Average: |
58.8 |
-1.5 |
0.198 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[GOL]C:1201 |
6 |
1 |
220 |
◊ |
[GOL]C:1201 |
-x,y,-z+1/2 |
3_555 |
6 |
1 |
220 |
61.5 |
0.5 |
0.618 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[PEG]D:1202 |
5 |
1 |
257 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
5385 |
57.9 |
1.3 |
0.308 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[PEG]A:1204 |
6 |
1 |
263 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
5453 |
56.3 |
1.1 |
0.238 |
2 |
0 |
0 |
0.000 |
25 |
33 |
|
C |
2 |
1 |
5453 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11338 |
48.3 |
-0.6 |
0.286 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
7 |
2 |
11040 |
◊ |
D |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
5385 |
42.1 |
-0.6 |
0.394 |
0 |
0 |
0 |
0.000 |
Average: |
45.2 |
-0.6 |
0.340 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[15Z]A:1205 |
3 |
1 |
439 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
5453 |
41.6 |
-0.1 |
0.689 |
1 |
0 |
0 |
0.005 |
36 |
|
[15Z]B:1204 |
3 |
1 |
436 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
5385 |
40.9 |
-0.1 |
0.713 |
1 |
0 |
0 |
0.005 |
Average: |
41.2 |
-0.1 |
0.701 |
1 |
0 |
0 |
0.005 |
27 |
37 |
|
A |
4 |
2 |
11040 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
7 |
2 |
11338 |
36.2 |
0.2 |
0.706 |
1 |
2 |
0 |
0.000 |
28 |
38 |
|
B |
2 |
1 |
11338 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
11040 |
32.6 |
0.5 |
0.834 |
1 |
2 |
0 |
0.000 |
29 |
39 |
|
[SO4]A:1202 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
5453 |
29.3 |
-3.3 |
0.872 |
0 |
0 |
0 |
0.030 |
30 |
40 |
|
[SO4]B:1202 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
5385 |
16.8 |
-1.9 |
0.857 |
0 |
0 |
0 |
0.017 |
31 |
41 |
|
[SO4]A:1202 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
11338 |
12.7 |
-1.3 |
0.826 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[PEG]A:1204 |
1 |
1 |
263 |
f |
A |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
11040 |
8.4 |
-0.2 |
0.309 |
0 |
0 |
0 |
0.002 |
33 |
43 |
|
A |
1 |
1 |
11040 |
◊ |
[SO4]B:1202 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
185 |
8.1 |
-0.9 |
0.806 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[PEG]D:1202 |
1 |
1 |
257 |
f |
B |
x,-y,-z |
4_555 |
2 |
1 |
11338 |
4.5 |
-0.1 |
0.314 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[GOL]B:1203 |
1 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5385 |
1.3 |
-0.0 |
0.539 |
0 |
0 |
0 |
0.000 |
|