| ## |
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 |
190 |
55 |
13617 |
◊ |
A |
x,y,z |
1_555 |
194 |
56 |
13842 |
1951.2 |
-15.9 |
0.233 |
22 |
2 |
0 |
0.380 |
2 |
|
D |
183 |
53 |
13499 |
◊ |
C |
x,y,z |
1_555 |
184 |
53 |
13473 |
1861.9 |
-17.0 |
0.227 |
20 |
2 |
0 |
0.380 |
| Average: |
1906.5 |
-16.5 |
0.230 |
21 |
2 |
0 |
0.380 |
| 2 |
3 |
|
D |
51 |
16 |
13499 |
◊ |
B |
x,y,z |
1_555 |
58 |
17 |
13617 |
494.1 |
-9.0 |
0.083 |
0 |
0 |
0 |
0.103 |
4 |
|
C |
44 |
14 |
13473 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
13842 |
430.6 |
-6.5 |
0.129 |
2 |
0 |
0 |
0.103 |
| Average: |
462.3 |
-7.7 |
0.106 |
1 |
0 |
0 |
0.103 |
| 3 |
5 |
|
B |
35 |
8 |
13617 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
28 |
11 |
13473 |
288.2 |
1.0 |
0.744 |
4 |
3 |
0 |
0.000 |
6 |
|
D |
29 |
11 |
13499 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
34 |
8 |
13842 |
286.5 |
1.2 |
0.745 |
5 |
3 |
0 |
0.000 |
| Average: |
287.4 |
1.1 |
0.745 |
5 |
3 |
0 |
0.000 |
| 4 |
7 |
|
C |
25 |
7 |
13473 |
◊ |
A |
x-1,y,z |
1_455 |
39 |
11 |
13842 |
218.4 |
0.4 |
0.740 |
2 |
1 |
0 |
0.000 |
| 5 |
8 |
|
B |
23 |
8 |
13617 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
21 |
7 |
13499 |
209.2 |
-0.3 |
0.539 |
3 |
3 |
0 |
0.000 |
| 6 |
9 |
|
[PEP]D:1351 |
10 |
1 |
285 |
f |
D |
x,y,z |
1_555 |
25 |
12 |
13499 |
181.2 |
-3.4 |
0.678 |
10 |
0 |
0 |
0.113 |
| 7 |
10 |
|
[PEP]C:1351 |
10 |
1 |
287 |
f |
C |
x,y,z |
1_555 |
24 |
12 |
13473 |
180.6 |
-3.7 |
0.682 |
11 |
0 |
0 |
0.124 |
11 |
|
[PEP]A:1352 |
10 |
1 |
287 |
f |
A |
x,y,z |
1_555 |
28 |
15 |
13842 |
180.0 |
-3.5 |
0.656 |
9 |
0 |
0 |
0.124 |
| Average: |
180.3 |
-3.6 |
0.669 |
10 |
0 |
0 |
0.124 |
| 8 |
12 |
|
[PEP]B:1351 |
10 |
1 |
285 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
13617 |
177.2 |
-3.6 |
0.674 |
11 |
0 |
0 |
0.113 |
| 9 |
13 |
|
[PEG]B:1353 |
6 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
13617 |
117.1 |
1.5 |
0.284 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
B |
11 |
4 |
13617 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
16 |
5 |
13499 |
104.7 |
0.2 |
0.663 |
0 |
1 |
0 |
0.000 |
| 11 |
15 |
|
[SO4]B:1352 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
13617 |
96.3 |
-11.1 |
0.937 |
4 |
0 |
0 |
0.172 |
| 12 |
16 |
|
[SO4]D:1352 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
13499 |
95.3 |
-11.2 |
0.938 |
4 |
0 |
0 |
0.189 |
| 13 |
17 |
|
[SO4]A:1353 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
13842 |
91.1 |
-10.8 |
0.925 |
4 |
0 |
0 |
0.168 |
| 14 |
18 |
|
[PEG]B:1354 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
13842 |
81.3 |
0.6 |
0.140 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[PEG]B:1354 |
6 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
13617 |
79.2 |
0.4 |
0.156 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[PEG]A:1354 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13842 |
76.0 |
1.4 |
0.205 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[PEG]A:1354 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
13473 |
74.6 |
1.3 |
0.225 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
A |
7 |
4 |
13842 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
7 |
2 |
13499 |
72.0 |
-0.1 |
0.584 |
0 |
1 |
0 |
0.000 |
| 19 |
23 |
|
[PEG]A:1355 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
13842 |
68.4 |
1.0 |
0.697 |
1 |
0 |
0 |
0.000 |
| 20 |
24 |
|
C |
9 |
3 |
13473 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
13617 |
64.2 |
-0.1 |
0.626 |
0 |
0 |
0 |
0.006 |
25 |
|
D |
8 |
3 |
13499 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
13842 |
60.3 |
-0.9 |
0.357 |
0 |
0 |
0 |
0.006 |
| Average: |
62.3 |
-0.5 |
0.492 |
0 |
0 |
0 |
0.006 |
| 21 |
26 |
|
[PEG]A:1355 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
13473 |
61.8 |
1.2 |
0.603 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[MN]C:1350 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
13473 |
53.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.139 |
28 |
|
[MN]A:1351 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
13842 |
52.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.139 |
29 |
|
[MN]D:1350 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
13499 |
51.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.139 |
30 |
|
[MN]B:1350 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
13617 |
51.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
52.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.139 |
| 23 |
31 |
|
A |
4 |
2 |
13842 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
13842 |
36.9 |
1.2 |
0.875 |
1 |
2 |
0 |
0.000 |
| 24 |
32 |
|
[PEP]B:1351 |
4 |
1 |
285 |
f |
[MN]B:1350 |
x,y,z |
1_555 |
1 |
1 |
123 |
30.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| 25 |
33 |
|
[PEP]A:1352 |
4 |
1 |
287 |
f |
[MN]A:1351 |
x,y,z |
1_555 |
1 |
1 |
123 |
29.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.028 |
34 |
|
[PEP]C:1351 |
4 |
1 |
287 |
f |
[MN]C:1350 |
x,y,z |
1_555 |
1 |
1 |
123 |
23.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
26.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.028 |
| 26 |
35 |
|
B |
4 |
3 |
13617 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
5 |
4 |
13842 |
28.7 |
1.0 |
0.849 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[PEP]D:1351 |
4 |
1 |
285 |
f |
[MN]D:1350 |
x,y,z |
1_555 |
1 |
1 |
123 |
26.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.027 |
| 28 |
37 |
|
[PEG]A:1355 |
1 |
1 |
185 |
f |
[PEG]A:1354 |
x,y,z |
1_555 |
2 |
1 |
186 |
16.3 |
0.4 |
1.000 |
1 |
0 |
0 |
0.000 |
|