| ## |
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 |
|
C |
171 |
48 |
16451 |
◊ |
A |
x,y,z |
1_555 |
143 |
41 |
16418 |
1452.9 |
-18.1 |
0.106 |
20 |
6 |
0 |
0.399 |
2 |
|
B |
139 |
40 |
16369 |
◊ |
A |
x,y,z |
1_555 |
169 |
49 |
16418 |
1431.3 |
-18.1 |
0.098 |
17 |
6 |
0 |
0.399 |
3 |
|
C |
141 |
41 |
16451 |
◊ |
B |
x,y,z |
1_555 |
172 |
49 |
16369 |
1430.4 |
-16.6 |
0.140 |
22 |
6 |
0 |
0.399 |
| Average: |
1438.2 |
-17.6 |
0.115 |
20 |
6 |
0 |
0.399 |
| 2 |
4 |
|
B |
56 |
22 |
16369 |
◊ |
A |
x-1,y,z |
1_455 |
48 |
17 |
16418 |
463.2 |
-8.3 |
0.107 |
1 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
34 |
9 |
16369 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
35 |
9 |
16418 |
291.0 |
-1.6 |
0.566 |
5 |
1 |
0 |
0.000 |
| 4 |
6 |
|
C |
33 |
12 |
16451 |
x |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
21 |
7 |
16451 |
268.7 |
-7.2 |
0.020 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
26 |
9 |
16369 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
15 |
6 |
16418 |
216.2 |
-6.1 |
0.016 |
0 |
0 |
0 |
0.000 |
| Average: |
242.5 |
-6.7 |
0.018 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[C8E]A:408 |
12 |
1 |
409 |
f |
A |
x,y,z |
1_555 |
43 |
14 |
16418 |
225.6 |
4.8 |
0.177 |
0 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[C8E]B:405 |
12 |
1 |
413 |
f |
B |
x,y,z |
1_555 |
37 |
13 |
16369 |
202.2 |
4.2 |
0.149 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
A |
19 |
5 |
16418 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
22 |
9 |
16451 |
180.0 |
-0.9 |
0.487 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[PEG]C:404 |
7 |
1 |
265 |
f |
C |
x,y,z |
1_555 |
29 |
12 |
16451 |
154.5 |
3.0 |
0.391 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[PEG]A:407 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
16418 |
122.0 |
2.4 |
0.377 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[PEG]B:404 |
6 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
16369 |
116.0 |
1.6 |
0.283 |
2 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[PEG]C:405 |
7 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
16451 |
111.3 |
3.6 |
0.429 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
A |
12 |
6 |
16418 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
4 |
16451 |
96.2 |
1.1 |
0.832 |
1 |
2 |
0 |
0.000 |
| 13 |
16 |
|
[BR]C:402 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
16451 |
79.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.166 |
17 |
|
[BR]B:402 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
16369 |
78.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.166 |
18 |
|
[BR]A:401 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
16418 |
78.4 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.166 |
| Average: |
78.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.166 |
| 14 |
19 |
|
C |
6 |
2 |
16451 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
8 |
3 |
16369 |
69.3 |
0.0 |
0.681 |
1 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[BR]A:404 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
16418 |
69.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.061 |
| 16 |
21 |
|
[BR]A:402 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
16418 |
68.2 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.050 |
| 17 |
22 |
|
[BR]A:403 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
16418 |
59.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.044 |
| 18 |
23 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
16451 |
57.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.047 |
| 19 |
24 |
|
[BR]B:406 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
16451 |
56.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.039 |
| 20 |
25 |
|
[MG]A:406 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
16418 |
48.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.112 |
26 |
|
[MG]B:407 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
16369 |
48.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.112 |
27 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
16451 |
48.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.112 |
| Average: |
48.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.112 |
| 21 |
28 |
|
[BR]B:401 |
1 |
1 |
133 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
16369 |
48.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.036 |
| 22 |
29 |
|
[BR]B:401 |
1 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
16418 |
46.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.030 |
| 23 |
30 |
|
[BR]B:406 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
16369 |
43.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.030 |
| 24 |
31 |
|
B |
7 |
3 |
16369 |
◊ |
C |
-x-3/2,-y,z-1/2 |
2_354 |
3 |
2 |
16451 |
35.1 |
0.6 |
0.832 |
1 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[MG]A:405 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
16418 |
34.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.033 |
33 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
16369 |
28.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
31.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.033 |
| 26 |
34 |
|
[PEG]B:404 |
5 |
1 |
259 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.013 |
| 27 |
35 |
|
[PEG]A:407 |
2 |
1 |
261 |
f |
[BR]A:403 |
x,y,z |
1_555 |
1 |
1 |
133 |
22.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
| 28 |
36 |
|
[PEG]A:407 |
3 |
1 |
261 |
f |
[MG]A:405 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.008 |
| 29 |
37 |
|
[BR]A:404 |
1 |
1 |
133 |
f |
[BR]A:402 |
x,y,z |
1_555 |
1 |
1 |
133 |
6.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 30 |
38 |
|
[MG]C:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16418 |
2.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
|