| ## |
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 |
80 |
22 |
8357 |
◊ |
C |
x,y,z |
1_555 |
74 |
21 |
8325 |
737.3 |
-16.2 |
0.032 |
0 |
0 |
0 |
0.272 |
2 |
|
B |
75 |
21 |
8338 |
◊ |
A |
x,y,z |
1_555 |
77 |
21 |
8341 |
736.6 |
-16.4 |
0.027 |
0 |
0 |
0 |
0.272 |
| Average: |
737.0 |
-16.3 |
0.030 |
0 |
0 |
0 |
0.272 |
| 2 |
3 |
|
D |
66 |
21 |
8357 |
◊ |
C |
-z+1/2,-x,y+1/2 |
7_555 |
60 |
19 |
8325 |
615.8 |
-6.6 |
0.421 |
6 |
1 |
0 |
0.163 |
4 |
|
A |
63 |
22 |
8341 |
◊ |
B |
-z+1/2,-x,y+1/2 |
7_555 |
60 |
19 |
8338 |
598.9 |
-6.8 |
0.389 |
6 |
0 |
0 |
0.163 |
| Average: |
607.4 |
-6.7 |
0.405 |
6 |
1 |
0 |
0.163 |
| 3 |
5 |
|
[P4C]D:200 |
22 |
1 |
500 |
f |
D |
x,y,z |
1_555 |
53 |
22 |
8357 |
384.0 |
-0.8 |
0.439 |
2 |
0 |
0 |
0.058 |
6 |
|
[P4C]A:200 |
22 |
1 |
502 |
f |
A |
x,y,z |
1_555 |
52 |
22 |
8341 |
383.2 |
-0.8 |
0.439 |
2 |
0 |
0 |
0.058 |
7 |
|
[P4C]C:200 |
22 |
1 |
500 |
f |
C |
x,y,z |
1_555 |
52 |
22 |
8325 |
383.0 |
-0.8 |
0.448 |
2 |
0 |
0 |
0.058 |
8 |
|
[P4C]B:200 |
22 |
1 |
500 |
f |
B |
x,y,z |
1_555 |
54 |
22 |
8338 |
382.1 |
-0.7 |
0.453 |
2 |
0 |
0 |
0.058 |
| Average: |
383.1 |
-0.8 |
0.445 |
2 |
0 |
0 |
0.058 |
| 4 |
9 |
|
C |
34 |
10 |
8325 |
◊ |
C |
-x+1/4,z-1/4,y+1/4 |
18_545 |
34 |
11 |
8325 |
306.7 |
0.8 |
0.856 |
4 |
0 |
0 |
0.000 |
| 5 |
10 |
|
A |
25 |
10 |
8341 |
◊ |
B |
-y+1/4,x-1/4,z+1/4 |
16_545 |
36 |
10 |
8338 |
303.0 |
-0.7 |
0.712 |
3 |
4 |
0 |
0.000 |
11 |
|
D |
36 |
10 |
8357 |
◊ |
C |
-y+1/4,x-1/4,z+1/4 |
16_545 |
28 |
11 |
8325 |
293.4 |
-0.7 |
0.717 |
3 |
4 |
0 |
0.000 |
| Average: |
298.2 |
-0.7 |
0.715 |
3 |
4 |
0 |
0.000 |
| 6 |
12 |
|
C |
36 |
10 |
8325 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
8341 |
300.5 |
-4.0 |
0.413 |
1 |
0 |
0 |
0.003 |
| 7 |
13 |
|
[PEG]B:201 |
7 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
23 |
14 |
8338 |
185.1 |
3.0 |
0.404 |
2 |
0 |
0 |
0.000 |
14 |
|
[PEG]D:201 |
7 |
1 |
265 |
f |
D |
x,y,z |
1_555 |
23 |
13 |
8357 |
184.9 |
3.1 |
0.399 |
3 |
0 |
0 |
0.000 |
15 |
|
[PEG]C:201 |
7 |
1 |
264 |
f |
C |
x,y,z |
1_555 |
24 |
14 |
8325 |
184.4 |
3.0 |
0.409 |
2 |
0 |
0 |
0.000 |
16 |
|
[PEG]A:201 |
7 |
1 |
265 |
f |
A |
x,y,z |
1_555 |
22 |
14 |
8341 |
184.4 |
3.1 |
0.401 |
3 |
0 |
0 |
0.000 |
| Average: |
184.7 |
3.0 |
0.403 |
3 |
0 |
0 |
0.000 |
| 8 |
17 |
|
[PEG]B:203 |
7 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
8338 |
111.4 |
3.1 |
0.418 |
1 |
0 |
0 |
0.000 |
| 9 |
18 |
|
A |
11 |
5 |
8341 |
◊ |
[PEG]B:203 |
-z+1/2,-x,y+1/2 |
7_555 |
7 |
1 |
264 |
94.0 |
1.8 |
0.260 |
1 |
0 |
0 |
0.000 |
| 10 |
19 |
|
[PEG]B:202 |
7 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
8338 |
79.2 |
2.2 |
0.263 |
0 |
0 |
0 |
0.000 |
| 11 |
20 |
|
B |
13 |
3 |
8338 |
◊ |
B |
-x+1/4,z-1/4,y+1/4 |
18_545 |
15 |
3 |
8338 |
70.8 |
-0.3 |
0.694 |
0 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8338 |
55.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.256 |
22 |
|
[CL]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
8325 |
55.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.256 |
23 |
|
[CL]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
8357 |
55.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.256 |
24 |
|
[CL]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8341 |
53.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.256 |
| Average: |
54.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.256 |
| 13 |
25 |
|
A |
5 |
4 |
8341 |
◊ |
[PEG]B:202 |
-z+1/2,-x,y+1/2 |
7_555 |
4 |
1 |
257 |
50.0 |
1.1 |
0.279 |
0 |
0 |
0 |
0.000 |
| 14 |
26 |
|
[PEG]C:201 |
4 |
1 |
264 |
f |
[P4C]C:200 |
x,y,z |
1_555 |
6 |
1 |
500 |
49.7 |
0.8 |
0.240 |
0 |
0 |
0 |
0.000 |
27 |
|
[PEG]D:201 |
4 |
1 |
265 |
f |
[P4C]D:200 |
x,y,z |
1_555 |
6 |
1 |
500 |
49.0 |
0.7 |
0.235 |
0 |
0 |
0 |
0.000 |
28 |
|
[PEG]A:201 |
4 |
1 |
265 |
f |
[P4C]A:200 |
x,y,z |
1_555 |
6 |
1 |
502 |
48.9 |
0.7 |
0.234 |
0 |
0 |
0 |
0.000 |
29 |
|
[PEG]B:201 |
4 |
1 |
264 |
f |
[P4C]B:200 |
x,y,z |
1_555 |
6 |
1 |
500 |
48.6 |
0.7 |
0.232 |
0 |
0 |
0 |
0.000 |
| Average: |
49.0 |
0.7 |
0.235 |
0 |
0 |
0 |
0.000 |
| 15 |
30 |
|
[CL]B:300 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8338 |
49.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.163 |
31 |
|
[CL]A:300 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8341 |
47.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.163 |
32 |
|
[CL]C:300 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8325 |
47.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.163 |
33 |
|
[CL]D:300 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
8357 |
47.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.163 |
| Average: |
47.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.163 |
| 16 |
34 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8341 |
49.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.192 |
35 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
8325 |
48.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.192 |
36 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
8338 |
47.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.192 |
37 |
|
[CL]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
8357 |
47.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.192 |
| Average: |
47.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.192 |
| 17 |
38 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
8338 |
47.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.196 |
39 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8341 |
43.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.196 |
40 |
|
[CL]C:303 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
8325 |
43.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.196 |
41 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
8357 |
39.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.196 |
| Average: |
43.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.196 |
| 18 |
42 |
|
[PEG]B:202 |
4 |
1 |
257 |
f |
[PEG]B:202 |
-x+1/4,z-1/4,y+1/4 |
18_545 |
4 |
1 |
257 |
41.9 |
-0.3 |
0.044 |
1 |
0 |
0 |
0.000 |
| 19 |
43 |
|
[PEG]B:202 |
3 |
1 |
257 |
◊ |
B |
-x+1/4,z-1/4,y+1/4 |
18_545 |
9 |
4 |
8338 |
31.2 |
-0.3 |
0.200 |
0 |
0 |
0 |
0.000 |
| 20 |
44 |
|
C |
5 |
2 |
8325 |
◊ |
A |
-y+1/4,x-1/4,z+1/4 |
16_545 |
5 |
2 |
8341 |
26.3 |
-0.2 |
0.617 |
0 |
0 |
0 |
0.000 |
| 21 |
45 |
|
D |
2 |
1 |
8357 |
◊ |
[CL]C:302 |
-z+1/2,-x,y+1/2 |
7_555 |
1 |
1 |
125 |
25.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.054 |
46 |
|
A |
2 |
1 |
8341 |
◊ |
[CL]B:302 |
-z+1/2,-x,y+1/2 |
7_555 |
1 |
1 |
125 |
19.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
22.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.054 |
| 22 |
47 |
|
D |
4 |
2 |
8357 |
◊ |
A |
-y+1/4,x-1/4,z+1/4 |
16_545 |
3 |
1 |
8341 |
24.4 |
0.4 |
0.812 |
2 |
0 |
0 |
0.000 |
48 |
|
C |
3 |
1 |
8325 |
◊ |
B |
-y+1/4,x-1/4,z+1/4 |
16_545 |
2 |
1 |
8338 |
23.9 |
0.4 |
0.834 |
1 |
0 |
0 |
0.000 |
| Average: |
24.1 |
0.4 |
0.823 |
2 |
0 |
0 |
0.000 |
| 23 |
49 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
B |
-z+1/2,-x,y+1/2 |
7_555 |
1 |
1 |
8338 |
19.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.040 |
50 |
|
[CL]D:302 |
1 |
1 |
125 |
◊ |
C |
-z+1/2,-x,y+1/2 |
7_555 |
1 |
1 |
8325 |
14.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
17.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.040 |
| 24 |
51 |
|
[PEG]B:203 |
2 |
1 |
264 |
f |
[PEG]B:202 |
x,y,z |
1_555 |
3 |
1 |
257 |
14.8 |
0.7 |
0.160 |
0 |
0 |
0 |
0.000 |
|