| ## |
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 |
176 |
49 |
10496 |
◊ |
A |
x,y,z |
1_555 |
200 |
59 |
27169 |
1770.3 |
-20.7 |
0.102 |
16 |
3 |
0 |
0.157 |
2 |
|
F |
169 |
47 |
10451 |
◊ |
E |
x,y,z |
1_555 |
190 |
55 |
26845 |
1717.3 |
-22.2 |
0.051 |
17 |
5 |
0 |
0.157 |
| Average: |
1743.8 |
-21.5 |
0.077 |
17 |
4 |
0 |
0.157 |
| 2 |
3 |
|
G |
171 |
41 |
13158 |
◊ |
F |
x,y,z |
1_555 |
187 |
54 |
10451 |
1609.4 |
-11.4 |
0.842 |
23 |
0 |
0 |
0.169 |
4 |
|
C |
173 |
39 |
12961 |
◊ |
B |
x,y,z |
1_555 |
178 |
49 |
10496 |
1601.0 |
-12.4 |
0.835 |
23 |
0 |
0 |
0.169 |
| Average: |
1605.2 |
-11.9 |
0.839 |
23 |
0 |
0 |
0.169 |
| 3 |
5 |
|
G |
91 |
29 |
13158 |
◊ |
C |
x,y,z |
1_555 |
91 |
30 |
12961 |
996.4 |
-24.1 |
0.095 |
1 |
0 |
0 |
0.365 |
| 4 |
6 |
|
[MGD]E:1765 |
47 |
1 |
912 |
f |
E |
x,y,z |
1_555 |
98 |
34 |
26845 |
605.3 |
-12.9 |
0.341 |
18 |
0 |
0 |
0.125 |
7 |
|
[MGD]A:1765 |
47 |
1 |
916 |
f |
A |
x,y,z |
1_555 |
99 |
35 |
27169 |
600.4 |
-14.1 |
0.262 |
22 |
0 |
0 |
0.125 |
| Average: |
602.9 |
-13.5 |
0.302 |
20 |
0 |
0 |
0.125 |
| 5 |
8 |
|
[MGD]A:1766 |
46 |
1 |
922 |
f |
A |
x,y,z |
1_555 |
93 |
36 |
27169 |
597.8 |
-5.6 |
0.667 |
21 |
0 |
0 |
0.092 |
9 |
|
[MGD]E:1766 |
47 |
1 |
920 |
f |
E |
x,y,z |
1_555 |
95 |
38 |
26845 |
597.0 |
-5.9 |
0.659 |
27 |
0 |
0 |
0.092 |
| Average: |
597.4 |
-5.7 |
0.663 |
24 |
0 |
0 |
0.092 |
| 6 |
10 |
|
F |
57 |
16 |
10451 |
◊ |
B |
x,y,z |
1_555 |
58 |
16 |
10496 |
490.8 |
3.0 |
0.940 |
7 |
0 |
0 |
0.000 |
| 7 |
11 |
|
A |
43 |
17 |
27169 |
◊ |
E |
-x+2,y-1/2,-z+1/2 |
3_745 |
43 |
14 |
26845 |
480.5 |
0.0 |
0.627 |
6 |
6 |
0 |
0.000 |
| 8 |
12 |
|
A |
43 |
11 |
27169 |
◊ |
E |
-x+3/2,-y+2,z-1/2 |
2_674 |
49 |
16 |
26845 |
391.0 |
-5.7 |
0.140 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[PCI]G:1251 |
12 |
1 |
351 |
f |
G |
x,y,z |
1_555 |
34 |
15 |
13158 |
233.3 |
-20.9 |
0.784 |
2 |
0 |
0 |
0.324 |
| 10 |
14 |
|
[PCI]C:1252 |
12 |
1 |
347 |
cf |
C |
x,y,z |
1_555 |
32 |
16 |
12961 |
226.0 |
-20.9 |
0.803 |
0 |
0 |
0 |
0.311 |
| 11 |
15 |
|
G |
22 |
6 |
13158 |
◊ |
E |
x,y,z |
1_555 |
33 |
11 |
26845 |
208.4 |
-3.1 |
0.341 |
3 |
2 |
0 |
0.019 |
16 |
|
C |
22 |
6 |
12961 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
27169 |
203.1 |
-2.0 |
0.505 |
3 |
2 |
0 |
0.019 |
| Average: |
205.7 |
-2.5 |
0.423 |
3 |
2 |
0 |
0.019 |
| 12 |
17 |
|
[SF4]F:1195 |
8 |
1 |
307 |
f |
F |
x,y,z |
1_555 |
26 |
13 |
10451 |
186.8 |
-21.5 |
0.442 |
0 |
0 |
0 |
0.159 |
| 13 |
18 |
|
[SF4]F:1197 |
8 |
1 |
308 |
f |
F |
x,y,z |
1_555 |
25 |
15 |
10451 |
183.7 |
-21.4 |
0.425 |
0 |
0 |
0 |
0.159 |
| 14 |
19 |
|
[SF4]B:1197 |
8 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
26 |
15 |
10496 |
182.1 |
-21.3 |
0.345 |
1 |
0 |
0 |
0.162 |
| 15 |
20 |
|
[SF4]B:1195 |
8 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
10496 |
180.0 |
-21.0 |
0.462 |
1 |
0 |
0 |
0.160 |
| 16 |
21 |
|
[SF4]A:1764 |
8 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
27169 |
179.7 |
-21.1 |
0.272 |
2 |
0 |
0 |
0.115 |
| 17 |
22 |
|
[SF4]E:1764 |
8 |
1 |
309 |
f |
E |
x,y,z |
1_555 |
23 |
11 |
26845 |
179.7 |
-21.2 |
0.354 |
2 |
0 |
0 |
0.114 |
| 18 |
23 |
|
[SF4]B:1196 |
8 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
21 |
13 |
10496 |
179.3 |
-20.3 |
0.443 |
3 |
0 |
0 |
0.161 |
| 19 |
24 |
|
[SF4]F:1196 |
8 |
1 |
307 |
f |
F |
x,y,z |
1_555 |
20 |
13 |
10451 |
179.0 |
-20.2 |
0.576 |
1 |
0 |
0 |
0.153 |
| 20 |
25 |
|
[SF4]F:1194 |
8 |
1 |
308 |
f |
F |
x,y,z |
1_555 |
19 |
12 |
10451 |
175.7 |
-21.1 |
0.448 |
1 |
0 |
0 |
0.159 |
| 21 |
26 |
|
[SF4]B:1194 |
8 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
10496 |
172.8 |
-18.8 |
0.683 |
0 |
0 |
0 |
0.140 |
| 22 |
27 |
|
E |
13 |
3 |
26845 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
5 |
12961 |
122.9 |
-0.4 |
0.668 |
2 |
1 |
0 |
0.000 |
| 23 |
28 |
|
[MO]E:1767 |
1 |
1 |
163 |
f |
E |
x,y,z |
1_555 |
17 |
10 |
26845 |
68.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.023 |
29 |
|
[MO]A:1767 |
1 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
27169 |
68.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
68.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.023 |
| 24 |
30 |
|
[PCI]G:1251 |
7 |
1 |
351 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
10451 |
66.1 |
-6.8 |
0.507 |
0 |
0 |
0 |
0.050 |
| 25 |
31 |
|
[PCI]C:1252 |
6 |
1 |
347 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
10496 |
61.1 |
-6.8 |
0.490 |
0 |
0 |
0 |
0.051 |
| 26 |
32 |
|
[MGD]A:1766 |
5 |
1 |
922 |
f |
[MGD]A:1765 |
x,y,z |
1_555 |
2 |
1 |
916 |
50.1 |
-3.9 |
0.158 |
2 |
0 |
0 |
0.025 |
33 |
|
[MGD]E:1766 |
5 |
1 |
920 |
f |
[MGD]E:1765 |
x,y,z |
1_555 |
2 |
1 |
912 |
50.1 |
-4.0 |
0.154 |
2 |
0 |
0 |
0.025 |
| Average: |
50.1 |
-4.0 |
0.156 |
2 |
0 |
0 |
0.025 |
| 27 |
34 |
|
E |
9 |
3 |
26845 |
◊ |
G |
x-1,y,z |
1_455 |
6 |
2 |
13158 |
49.7 |
-0.5 |
0.570 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[MO]A:1767 |
1 |
1 |
163 |
f |
[MGD]A:1765 |
x,y,z |
1_555 |
2 |
1 |
916 |
45.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.043 |
36 |
|
[MO]E:1767 |
1 |
1 |
163 |
f |
[MGD]E:1765 |
x,y,z |
1_555 |
2 |
1 |
912 |
45.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.043 |
37 |
|
[MO]A:1767 |
1 |
1 |
163 |
f |
[MGD]A:1766 |
x,y,z |
1_555 |
4 |
1 |
922 |
45.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.043 |
38 |
|
[MO]E:1767 |
1 |
1 |
163 |
f |
[MGD]E:1766 |
x,y,z |
1_555 |
3 |
1 |
920 |
44.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
44.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.043 |
| 29 |
39 |
|
[SF4]B:1194 |
2 |
1 |
306 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
27169 |
11.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 30 |
40 |
|
C |
3 |
2 |
12961 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
10451 |
8.7 |
-0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
41 |
|
G |
1 |
1 |
13158 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10496 |
5.5 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
| Average: |
7.1 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
|