| ## |
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 |
195 |
46 |
9961 |
◊ |
A |
x,y,z |
1_555 |
197 |
46 |
9782 |
1842.7 |
-23.3 |
0.047 |
19 |
12 |
0 |
1.000 |
| 2 |
2 |
|
[PG4]A:216 |
13 |
1 |
412 |
f |
A |
x,y,z |
1_555 |
53 |
21 |
9782 |
292.3 |
4.9 |
0.416 |
0 |
0 |
0 |
0.000 |
| 3 |
3 |
|
[PG4]B:217 |
13 |
1 |
412 |
f |
B |
x,y,z |
1_555 |
56 |
22 |
9961 |
292.1 |
4.6 |
0.381 |
1 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
24 |
8 |
9961 |
x |
B |
-x+1/2,-y,z-1/2 |
2_554 |
28 |
9 |
9961 |
218.5 |
-0.5 |
0.615 |
4 |
1 |
0 |
0.000 |
| 5 |
5 |
|
A |
20 |
8 |
9782 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
22 |
5 |
9961 |
213.8 |
1.0 |
0.743 |
3 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
26 |
7 |
9782 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
27 |
8 |
9961 |
208.6 |
-1.4 |
0.508 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[PG4]A:218 |
13 |
1 |
403 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
9782 |
206.7 |
4.6 |
0.358 |
6 |
0 |
0 |
0.000 |
| 8 |
8 |
|
B |
26 |
7 |
9961 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
6 |
9782 |
196.3 |
-3.7 |
0.187 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
B |
25 |
10 |
9961 |
◊ |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
26 |
11 |
9782 |
188.6 |
-2.5 |
0.329 |
1 |
0 |
0 |
0.000 |
| 10 |
10 |
|
A |
15 |
7 |
9782 |
x |
A |
-x+3/2,-y,z-1/2 |
2_654 |
23 |
8 |
9782 |
144.3 |
0.3 |
0.737 |
2 |
3 |
0 |
0.000 |
| 11 |
11 |
|
[PEG]B:214 |
7 |
1 |
262 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
9961 |
133.0 |
1.9 |
0.268 |
2 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[PEG]B:213 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
9961 |
130.2 |
3.2 |
0.377 |
3 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[EDO]B:204 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
9961 |
128.3 |
3.7 |
0.675 |
2 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[EDO]A:211 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
9782 |
125.7 |
3.5 |
0.481 |
1 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[EDO]A:212 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
9782 |
113.9 |
3.6 |
0.460 |
2 |
0 |
0 |
0.000 |
| 16 |
16 |
|
B |
14 |
6 |
9961 |
x |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
13 |
4 |
9961 |
111.7 |
-0.5 |
0.565 |
1 |
0 |
0 |
0.000 |
17 |
|
A |
13 |
4 |
9782 |
x |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
14 |
4 |
9782 |
109.3 |
-0.6 |
0.533 |
1 |
0 |
0 |
0.000 |
| Average: |
110.5 |
-0.5 |
0.549 |
1 |
0 |
0 |
0.000 |
| 17 |
18 |
|
B |
12 |
3 |
9961 |
x |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
15 |
5 |
9961 |
111.4 |
2.4 |
0.909 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]B:205 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
9961 |
98.7 |
4.0 |
0.757 |
3 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[PEG]A:215 |
6 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
9782 |
97.7 |
1.4 |
0.301 |
4 |
0 |
0 |
0.020 |
| 20 |
21 |
|
[EDO]A:203 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
9782 |
96.1 |
4.1 |
0.777 |
3 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]B:208 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
9961 |
89.5 |
2.9 |
0.502 |
2 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[EDO]A:210 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
9782 |
87.6 |
2.8 |
0.514 |
2 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[PEG]A:215 |
7 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
9961 |
85.8 |
2.4 |
0.327 |
2 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[EDO]B:207 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
9961 |
84.7 |
2.3 |
0.253 |
2 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[EDO]A:209 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
9961 |
79.6 |
2.0 |
0.470 |
2 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[EDO]A:206 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
9961 |
75.3 |
2.0 |
0.418 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[EDO]A:209 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
9782 |
74.8 |
1.7 |
0.279 |
2 |
0 |
0 |
0.000 |
| 28 |
29 |
|
B |
12 |
4 |
9961 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
7 |
5 |
9782 |
69.1 |
0.1 |
0.509 |
1 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[CL]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
9782 |
66.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
1.000 |
31 |
|
[CL]B:202 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
9961 |
66.3 |
-10.4 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
66.4 |
-10.5 |
0.000 |
0 |
0 |
0 |
1.000 |
| 30 |
32 |
|
B |
7 |
4 |
9961 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
9782 |
59.5 |
0.7 |
0.738 |
1 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[EDO]A:206 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
9782 |
59.2 |
0.6 |
0.514 |
1 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[EDO]B:208 |
4 |
1 |
186 |
◊ |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
9 |
4 |
9782 |
58.4 |
1.3 |
0.745 |
2 |
0 |
0 |
0.000 |
| 33 |
35 |
|
[EDO]B:207 |
3 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
9782 |
38.8 |
1.5 |
0.899 |
0 |
0 |
0 |
0.000 |
| 34 |
36 |
|
[PEG]A:215 |
4 |
1 |
257 |
f |
[EDO]A:206 |
x,y,z |
1_555 |
4 |
1 |
185 |
32.8 |
1.6 |
0.416 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[PG4]B:217 |
4 |
1 |
412 |
f |
[EDO]B:205 |
x,y,z |
1_555 |
2 |
1 |
184 |
32.5 |
1.9 |
0.353 |
0 |
0 |
0 |
0.000 |
| 36 |
38 |
|
[PG4]A:216 |
4 |
1 |
412 |
f |
[EDO]A:203 |
x,y,z |
1_555 |
2 |
1 |
183 |
32.0 |
1.7 |
0.355 |
0 |
0 |
0 |
0.000 |
| 37 |
39 |
|
B |
4 |
3 |
9961 |
f |
[PG4]A:218 |
-x+1,y-1/2,-z+3/2 |
3_646 |
2 |
1 |
403 |
22.2 |
-0.1 |
0.356 |
0 |
0 |
0 |
0.006 |
| 38 |
40 |
|
[PEG]B:214 |
1 |
1 |
262 |
f |
[PEG]B:213 |
x,y,z |
1_555 |
2 |
1 |
261 |
17.0 |
0.6 |
0.265 |
0 |
0 |
0 |
0.000 |
| 39 |
41 |
|
[PEG]B:213 |
1 |
1 |
261 |
◊ |
[PG4]A:218 |
-x+1,y-1/2,-z+3/2 |
3_646 |
2 |
1 |
403 |
11.1 |
-0.1 |
0.170 |
0 |
0 |
0 |
0.000 |
| 40 |
42 |
|
[PEG]B:213 |
1 |
1 |
261 |
f |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
9782 |
9.3 |
-0.1 |
0.345 |
0 |
0 |
0 |
0.008 |
| 41 |
43 |
|
B |
2 |
1 |
9961 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
9782 |
8.6 |
0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
| 42 |
44 |
|
[EDO]B:207 |
2 |
1 |
184 |
f |
[PG4]A:218 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
403 |
6.3 |
0.4 |
0.555 |
0 |
0 |
0 |
0.000 |
| 43 |
45 |
|
[EDO]B:208 |
2 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
9782 |
5.2 |
0.1 |
0.757 |
0 |
0 |
0 |
0.000 |
|