| ## |
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 |
160 |
37 |
13548 |
◊ |
C |
x,y,z |
1_555 |
159 |
37 |
13553 |
1418.7 |
-7.8 |
0.543 |
13 |
2 |
0 |
0.298 |
2 |
|
B |
160 |
38 |
13548 |
◊ |
A |
x,y,z |
1_555 |
159 |
37 |
13549 |
1418.4 |
-7.8 |
0.543 |
13 |
2 |
0 |
0.298 |
| Average: |
1418.5 |
-7.8 |
0.543 |
13 |
2 |
0 |
0.298 |
| 2 |
3 |
|
A |
76 |
22 |
13549 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
76 |
22 |
13553 |
643.2 |
2.0 |
0.868 |
8 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
54 |
15 |
13548 |
◊ |
B |
-x,y,-z+1 |
2_556 |
54 |
15 |
13548 |
452.1 |
2.3 |
0.871 |
4 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[IMN]D:476 |
25 |
1 |
567 |
f |
D |
x,y,z |
1_555 |
49 |
19 |
13548 |
352.5 |
-7.1 |
0.292 |
1 |
0 |
0 |
0.324 |
6 |
|
[IMN]A:379 |
25 |
1 |
570 |
f |
A |
x,y,z |
1_555 |
48 |
20 |
13549 |
352.4 |
-7.1 |
0.290 |
1 |
0 |
0 |
0.324 |
7 |
|
[IMN]C:379 |
25 |
1 |
566 |
f |
C |
x,y,z |
1_555 |
47 |
19 |
13553 |
351.6 |
-7.1 |
0.281 |
1 |
0 |
0 |
0.324 |
8 |
|
[IMN]B:381 |
25 |
1 |
567 |
f |
B |
x,y,z |
1_555 |
46 |
19 |
13548 |
351.6 |
-7.1 |
0.283 |
1 |
0 |
0 |
0.324 |
| Average: |
352.1 |
-7.1 |
0.286 |
1 |
0 |
0 |
0.324 |
| 5 |
9 |
|
C |
34 |
10 |
13553 |
◊ |
B |
-x,y,-z |
2_555 |
30 |
9 |
13548 |
307.1 |
-0.1 |
0.677 |
4 |
0 |
0 |
0.043 |
10 |
|
C |
23 |
7 |
13553 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
13548 |
237.9 |
-0.8 |
0.564 |
2 |
0 |
0 |
0.043 |
11 |
|
D |
24 |
8 |
13548 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
13549 |
236.3 |
-0.7 |
0.571 |
2 |
0 |
0 |
0.043 |
| Average: |
260.5 |
-0.6 |
0.604 |
3 |
0 |
0 |
0.043 |
| 6 |
12 |
|
D |
30 |
9 |
13548 |
◊ |
A |
-x,y,-z |
2_555 |
33 |
10 |
13549 |
301.4 |
-0.4 |
0.643 |
3 |
0 |
0 |
0.014 |
| 7 |
13 |
|
B |
30 |
8 |
13548 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
29 |
8 |
13548 |
282.9 |
2.1 |
0.863 |
8 |
0 |
0 |
0.000 |
| 8 |
14 |
|
D |
21 |
6 |
13548 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
13548 |
170.5 |
1.9 |
0.860 |
2 |
4 |
0 |
0.003 |
15 |
|
C |
20 |
6 |
13553 |
◊ |
A |
-x,y,-z |
2_555 |
21 |
6 |
13549 |
155.6 |
2.0 |
0.867 |
5 |
4 |
0 |
0.003 |
| Average: |
163.1 |
2.0 |
0.863 |
4 |
4 |
0 |
0.003 |
| 9 |
16 |
|
[ACT]B:379 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
13548 |
66.0 |
-1.3 |
0.369 |
0 |
0 |
0 |
0.063 |
17 |
|
[ACT]D:477 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
13548 |
65.4 |
-1.2 |
0.367 |
0 |
0 |
0 |
0.063 |
18 |
|
[ACT]A:378 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13549 |
65.3 |
-1.2 |
0.414 |
1 |
0 |
0 |
0.063 |
19 |
|
[ACT]C:378 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
13553 |
64.5 |
-1.2 |
0.386 |
1 |
0 |
0 |
0.063 |
| Average: |
65.3 |
-1.2 |
0.384 |
1 |
0 |
0 |
0.063 |
| 10 |
20 |
|
[CL]D:475 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
13548 |
62.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.332 |
21 |
|
[CL]B:378 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
13548 |
61.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.332 |
22 |
|
[CL]D:378 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13549 |
61.2 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.332 |
23 |
|
[CL]B:380 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
13553 |
60.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.332 |
| Average: |
61.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.332 |
| 11 |
24 |
|
[IMN]C:379 |
13 |
1 |
566 |
f |
[ACT]C:378 |
x,y,z |
1_555 |
4 |
1 |
184 |
57.1 |
0.3 |
0.592 |
0 |
0 |
0 |
0.000 |
25 |
|
[IMN]A:379 |
13 |
1 |
570 |
f |
[ACT]A:378 |
x,y,z |
1_555 |
4 |
1 |
184 |
56.9 |
0.3 |
0.643 |
0 |
0 |
0 |
0.000 |
26 |
|
[IMN]D:476 |
13 |
1 |
567 |
f |
[ACT]D:477 |
x,y,z |
1_555 |
4 |
1 |
185 |
56.9 |
0.3 |
0.592 |
0 |
0 |
0 |
0.000 |
27 |
|
[IMN]B:381 |
13 |
1 |
567 |
f |
[ACT]B:379 |
x,y,z |
1_555 |
4 |
1 |
184 |
56.2 |
0.3 |
0.592 |
0 |
0 |
0 |
0.000 |
| Average: |
56.8 |
0.3 |
0.605 |
0 |
0 |
0 |
0.000 |
| 12 |
28 |
|
[CL]B:380 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
13548 |
45.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.162 |
29 |
|
[CL]D:378 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
5 |
13548 |
44.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.162 |
30 |
|
[CL]B:378 |
1 |
1 |
125 |
◊ |
C |
-x,y,-z |
2_555 |
6 |
5 |
13553 |
42.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.162 |
31 |
|
[CL]D:475 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z |
2_555 |
6 |
5 |
13549 |
42.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.162 |
| Average: |
43.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.162 |
|