| ## |
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 |
103 |
24 |
7142 |
◊ |
C |
x,y,z |
1_555 |
101 |
25 |
7064 |
938.0 |
-21.2 |
0.035 |
5 |
4 |
0 |
0.910 |
2 |
|
B |
100 |
24 |
7194 |
◊ |
A |
x,y,z |
1_555 |
100 |
24 |
7095 |
937.3 |
-19.8 |
0.048 |
3 |
7 |
0 |
0.910 |
| Average: |
937.7 |
-20.5 |
0.042 |
4 |
6 |
0 |
0.910 |
| 2 |
3 |
|
C |
48 |
13 |
7064 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
53 |
14 |
7095 |
449.5 |
6.9 |
0.992 |
15 |
9 |
0 |
0.000 |
| 3 |
4 |
|
B |
43 |
15 |
7194 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
49 |
14 |
7142 |
432.1 |
-5.4 |
0.193 |
3 |
0 |
0 |
0.000 |
| 4 |
5 |
|
D |
39 |
13 |
7142 |
◊ |
B |
x,y,z |
1_555 |
47 |
13 |
7194 |
391.0 |
-4.9 |
0.205 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[PG4]B:202 |
13 |
1 |
388 |
f |
B |
x,y,z |
1_555 |
38 |
18 |
7194 |
287.1 |
2.5 |
0.287 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
C |
25 |
9 |
7064 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
30 |
12 |
7194 |
255.3 |
-1.7 |
0.594 |
1 |
2 |
0 |
0.000 |
8 |
|
D |
27 |
11 |
7142 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
26 |
11 |
7095 |
238.0 |
0.1 |
0.737 |
2 |
3 |
0 |
0.000 |
| Average: |
246.6 |
-0.8 |
0.665 |
2 |
3 |
0 |
0.000 |
| 7 |
9 |
|
D |
23 |
7 |
7142 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
23 |
7 |
7194 |
214.3 |
3.9 |
0.970 |
2 |
4 |
0 |
0.000 |
| 8 |
10 |
|
[PEG]C:203 |
7 |
1 |
257 |
f |
C |
x,y,z |
1_555 |
23 |
11 |
7064 |
167.5 |
2.5 |
0.374 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[PEG]D:202 |
7 |
1 |
263 |
f |
D |
x,y,z |
1_555 |
26 |
12 |
7142 |
166.1 |
1.8 |
0.299 |
2 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[PEG]A:201 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
7095 |
165.6 |
1.8 |
0.295 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[PEG]C:202 |
7 |
1 |
261 |
f |
C |
x,y,z |
1_555 |
26 |
13 |
7064 |
164.2 |
2.6 |
0.383 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
A |
15 |
4 |
7095 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
24 |
8 |
7142 |
131.6 |
1.6 |
0.866 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[EDO]D:203 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
7142 |
120.6 |
2.3 |
0.410 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[EDO]A:202 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
7095 |
119.1 |
2.6 |
0.431 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
C |
11 |
4 |
7064 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
7194 |
115.3 |
1.3 |
0.819 |
1 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[EDO]B:203 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
7194 |
106.1 |
2.6 |
0.465 |
1 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]C:204 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
7142 |
95.2 |
2.6 |
0.503 |
2 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[CL]D:201 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
17 |
11 |
7142 |
85.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.561 |
21 |
|
[CL]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
7064 |
83.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.561 |
22 |
|
[CL]B:201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
7194 |
79.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.561 |
| Average: |
82.7 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.561 |
| 19 |
23 |
|
[EDO]C:204 |
3 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
7064 |
51.2 |
1.1 |
0.789 |
1 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[PEG]C:203 |
6 |
1 |
257 |
f |
[PEG]C:202 |
x,y,z |
1_555 |
6 |
1 |
261 |
49.8 |
2.4 |
0.101 |
1 |
0 |
0 |
0.000 |
| 21 |
25 |
|
B |
2 |
1 |
7194 |
◊ |
C |
x-1/2,-y+1/2,-z+2 |
4_457 |
7 |
3 |
7064 |
44.1 |
1.6 |
0.908 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[EDO]A:202 |
4 |
1 |
185 |
f |
[PEG]A:201 |
x,y,z |
1_555 |
4 |
1 |
257 |
38.1 |
1.9 |
0.400 |
1 |
0 |
0 |
0.000 |
| 23 |
27 |
|
A |
5 |
3 |
7095 |
◊ |
C |
x-1/2,-y+1/2,-z+2 |
4_457 |
4 |
3 |
7064 |
35.0 |
0.7 |
0.762 |
0 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[EDO]D:203 |
3 |
1 |
184 |
f |
[PEG]D:202 |
x,y,z |
1_555 |
4 |
1 |
263 |
31.3 |
1.8 |
0.393 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[PEG]D:202 |
2 |
1 |
263 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
7064 |
23.7 |
0.3 |
0.397 |
1 |
0 |
0 |
0.004 |
| 26 |
30 |
|
[PG4]B:202 |
3 |
1 |
388 |
f |
[CL]B:201 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.065 |
| 27 |
31 |
|
[CL]C:201 |
1 |
1 |
125 |
f |
[PEG]C:203 |
x,y,z |
1_555 |
1 |
1 |
257 |
14.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.034 |
| 28 |
32 |
|
[CL]C:201 |
1 |
1 |
125 |
f |
[PEG]C:202 |
x,y,z |
1_555 |
1 |
1 |
261 |
11.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.020 |
| 29 |
33 |
|
[CL]D:201 |
1 |
1 |
125 |
f |
[EDO]D:203 |
x,y,z |
1_555 |
1 |
1 |
184 |
10.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.024 |
| 30 |
34 |
|
[CL]D:201 |
1 |
1 |
125 |
f |
[PEG]D:202 |
x,y,z |
1_555 |
2 |
1 |
263 |
9.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.021 |
| 31 |
35 |
|
B |
1 |
1 |
7194 |
f |
[EDO]C:204 |
x-1/2,-y+1/2,-z+2 |
4_457 |
1 |
1 |
188 |
7.3 |
0.3 |
0.888 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[PEG]C:202 |
1 |
1 |
261 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7142 |
4.6 |
-0.2 |
0.283 |
0 |
0 |
0 |
0.005 |
|