| ## |
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 |
455 |
120 |
24500 |
◊ |
B |
x,y,z |
1_555 |
459 |
120 |
24380 |
4178.0 |
-60.2 |
0.011 |
40 |
2 |
0 |
0.667 |
2 |
|
C |
439 |
115 |
24076 |
◊ |
A |
x,y,z |
1_555 |
447 |
116 |
24294 |
4031.8 |
-56.3 |
0.015 |
40 |
2 |
0 |
0.667 |
| Average: |
4104.9 |
-58.3 |
0.013 |
40 |
2 |
0 |
0.667 |
| 2 |
3 |
|
C |
208 |
54 |
24076 |
◊ |
B |
x,y,z |
1_555 |
204 |
54 |
24380 |
1752.3 |
-14.5 |
0.535 |
29 |
0 |
0 |
0.511 |
4 |
|
D |
204 |
54 |
24500 |
◊ |
A |
x,y,z |
1_555 |
208 |
55 |
24294 |
1750.2 |
-14.6 |
0.540 |
28 |
0 |
0 |
0.511 |
| Average: |
1751.3 |
-14.5 |
0.538 |
29 |
0 |
0 |
0.511 |
| 3 |
5 |
|
B |
141 |
38 |
24380 |
◊ |
A |
x,y,z |
1_555 |
138 |
37 |
24294 |
1281.3 |
-1.4 |
0.893 |
33 |
12 |
0 |
0.404 |
6 |
|
D |
137 |
38 |
24500 |
◊ |
C |
x,y,z |
1_555 |
139 |
37 |
24076 |
1274.2 |
-0.3 |
0.909 |
34 |
12 |
0 |
0.404 |
| Average: |
1277.7 |
-0.9 |
0.901 |
34 |
12 |
0 |
0.404 |
| 4 |
7 |
|
[COO]C:590 |
38 |
1 |
955 |
f |
C |
x,y,z |
1_555 |
60 |
24 |
24076 |
505.7 |
-0.6 |
0.397 |
8 |
0 |
0 |
0.192 |
8 |
|
[COO]A:590 |
38 |
1 |
956 |
f |
A |
x,y,z |
1_555 |
60 |
24 |
24294 |
505.1 |
-0.7 |
0.400 |
8 |
0 |
0 |
0.192 |
9 |
|
[COO]D:590 |
38 |
1 |
957 |
f |
D |
x,y,z |
1_555 |
59 |
24 |
24500 |
503.6 |
-0.6 |
0.401 |
8 |
0 |
0 |
0.192 |
10 |
|
[COO]B:590 |
38 |
1 |
954 |
f |
B |
x,y,z |
1_555 |
60 |
24 |
24380 |
501.3 |
-0.6 |
0.415 |
8 |
0 |
0 |
0.192 |
| Average: |
503.9 |
-0.6 |
0.403 |
8 |
0 |
0 |
0.192 |
| 5 |
11 |
|
C |
38 |
16 |
24076 |
◊ |
B |
-x,y,-z+1 |
2_556 |
32 |
13 |
24380 |
286.1 |
-1.8 |
0.605 |
1 |
1 |
0 |
0.000 |
12 |
|
D |
33 |
12 |
24500 |
◊ |
A |
-x,y,-z |
2_555 |
38 |
16 |
24294 |
284.3 |
-1.7 |
0.624 |
1 |
1 |
0 |
0.000 |
| Average: |
285.2 |
-1.7 |
0.614 |
1 |
1 |
0 |
0.000 |
| 6 |
13 |
|
[COO]D:590 |
27 |
1 |
957 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
24380 |
263.7 |
-1.5 |
0.385 |
2 |
0 |
0 |
0.042 |
14 |
|
[COO]C:590 |
27 |
1 |
955 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
24294 |
262.7 |
-1.6 |
0.373 |
2 |
0 |
0 |
0.042 |
15 |
|
[COO]B:590 |
27 |
1 |
954 |
◊ |
D |
x,y,z |
1_555 |
28 |
9 |
24500 |
261.7 |
-1.5 |
0.360 |
2 |
0 |
0 |
0.042 |
16 |
|
[COO]A:590 |
27 |
1 |
956 |
◊ |
C |
x,y,z |
1_555 |
28 |
9 |
24076 |
261.3 |
-1.5 |
0.334 |
2 |
0 |
0 |
0.042 |
| Average: |
262.3 |
-1.5 |
0.363 |
2 |
0 |
0 |
0.042 |
| 7 |
17 |
|
B |
24 |
6 |
24380 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
25 |
7 |
24076 |
230.5 |
-7.7 |
0.019 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
24 |
6 |
24500 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
25 |
7 |
24294 |
229.3 |
-7.6 |
0.021 |
0 |
0 |
0 |
0.000 |
| Average: |
229.9 |
-7.6 |
0.020 |
0 |
0 |
0 |
0.000 |
| 8 |
19 |
|
[CL]D:589 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
24500 |
56.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.413 |
20 |
|
[CL]A:589 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
24294 |
56.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.413 |
21 |
|
[CL]B:589 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
24380 |
55.6 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.413 |
22 |
|
[CL]C:589 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
24076 |
55.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.413 |
| Average: |
55.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.413 |
| 9 |
23 |
|
[CL]B:589 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
24500 |
34.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.069 |
24 |
|
[CL]C:589 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
24294 |
34.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.069 |
25 |
|
[CL]D:589 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24380 |
33.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.069 |
26 |
|
[CL]A:589 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
24076 |
33.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.069 |
| Average: |
34.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.069 |
| 10 |
27 |
|
D |
5 |
3 |
24500 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
4 |
24076 |
32.0 |
0.4 |
0.779 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
3 |
2 |
24380 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
24294 |
8.8 |
-0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
| Average: |
20.4 |
0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
| 11 |
29 |
|
D |
3 |
1 |
24500 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
7 |
3 |
24076 |
23.7 |
0.3 |
0.760 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
1 |
1 |
24380 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
6 |
3 |
24294 |
14.5 |
-0.0 |
0.696 |
0 |
0 |
0 |
0.000 |
| Average: |
19.1 |
0.1 |
0.728 |
0 |
0 |
0 |
0.000 |
| 12 |
31 |
|
[COO]C:590 |
1 |
1 |
955 |
◊ |
[CL]A:589 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
32 |
|
[COO]D:590 |
1 |
1 |
957 |
◊ |
[CL]B:589 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
33 |
|
[COO]B:590 |
1 |
1 |
954 |
◊ |
[CL]D:589 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
34 |
|
[COO]A:590 |
1 |
1 |
956 |
◊ |
[CL]C:589 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
2.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|