| ## |
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 |
102 |
27 |
15317 |
◊ |
B |
x,y,z |
1_555 |
96 |
25 |
15133 |
902.5 |
-1.0 |
0.592 |
15 |
17 |
0 |
0.000 |
2 |
|
C |
96 |
26 |
15474 |
◊ |
A |
x,y,z |
1_555 |
89 |
26 |
15933 |
853.7 |
0.7 |
0.721 |
16 |
13 |
0 |
0.000 |
| Average: |
878.1 |
-0.2 |
0.656 |
16 |
15 |
0 |
0.000 |
| 2 |
3 |
|
B |
82 |
24 |
15133 |
◊ |
A |
x,y,z |
1_555 |
76 |
23 |
15933 |
782.9 |
-1.4 |
0.595 |
18 |
8 |
0 |
0.000 |
4 |
|
D |
76 |
23 |
15317 |
◊ |
C |
x,y,z |
1_555 |
70 |
22 |
15474 |
724.2 |
0.4 |
0.697 |
18 |
8 |
0 |
0.000 |
| Average: |
753.5 |
-0.5 |
0.646 |
18 |
8 |
0 |
0.000 |
| 3 |
5 |
|
C |
57 |
19 |
15474 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
56 |
14 |
15933 |
514.4 |
-4.4 |
0.300 |
4 |
2 |
0 |
0.000 |
| 4 |
6 |
|
D |
53 |
16 |
15317 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
47 |
13 |
15933 |
442.6 |
-4.5 |
0.240 |
1 |
1 |
0 |
0.000 |
| 5 |
7 |
|
[ROL]D:509 |
20 |
1 |
478 |
f |
D |
x,y,z |
1_555 |
52 |
18 |
15317 |
339.5 |
-1.1 |
0.246 |
2 |
0 |
0 |
0.002 |
8 |
|
[ROL]C:507 |
20 |
1 |
479 |
f |
C |
x,y,z |
1_555 |
49 |
17 |
15474 |
338.6 |
-1.1 |
0.252 |
2 |
0 |
0 |
0.002 |
9 |
|
[ROL]B:505 |
20 |
1 |
479 |
f |
B |
x,y,z |
1_555 |
51 |
18 |
15133 |
337.1 |
-0.9 |
0.253 |
2 |
0 |
0 |
0.002 |
10 |
|
[ROL]A:503 |
20 |
1 |
473 |
f |
A |
x,y,z |
1_555 |
49 |
17 |
15933 |
329.1 |
-1.0 |
0.270 |
2 |
0 |
0 |
0.002 |
| Average: |
336.1 |
-1.0 |
0.255 |
2 |
0 |
0 |
0.002 |
| 6 |
11 |
|
B |
30 |
9 |
15133 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
22 |
6 |
15933 |
248.1 |
-0.7 |
0.473 |
4 |
0 |
0 |
0.000 |
| 7 |
12 |
|
D |
27 |
8 |
15317 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
26 |
7 |
15474 |
245.4 |
-0.2 |
0.587 |
3 |
0 |
0 |
0.000 |
| 8 |
13 |
|
C |
19 |
7 |
15474 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
32 |
12 |
15133 |
228.9 |
-3.5 |
0.159 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
D |
21 |
6 |
15317 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
15933 |
206.5 |
4.6 |
0.953 |
7 |
10 |
0 |
0.000 |
15 |
|
C |
17 |
6 |
15474 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
15133 |
181.3 |
2.8 |
0.882 |
4 |
4 |
0 |
0.000 |
| Average: |
193.9 |
3.7 |
0.918 |
6 |
7 |
0 |
0.000 |
| 10 |
16 |
|
B |
6 |
2 |
15133 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
10 |
3 |
15133 |
77.3 |
0.3 |
0.589 |
0 |
1 |
0 |
0.000 |
| 11 |
17 |
|
[ZN]C:506 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
15474 |
60.8 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.042 |
18 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
15133 |
60.3 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.042 |
19 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
15933 |
59.9 |
-33.7 |
0.000 |
0 |
0 |
0 |
0.042 |
20 |
|
[ZN]D:508 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
15317 |
59.7 |
-33.8 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
60.2 |
-33.5 |
0.000 |
0 |
0 |
0 |
0.042 |
| 12 |
21 |
|
D |
9 |
4 |
15317 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
7 |
3 |
15133 |
60.0 |
-0.1 |
0.573 |
1 |
0 |
0 |
0.000 |
| 13 |
22 |
|
C |
4 |
1 |
15474 |
x |
C |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
4 |
15474 |
56.3 |
-0.8 |
0.206 |
1 |
0 |
0 |
0.000 |
| 14 |
23 |
|
D |
5 |
2 |
15317 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
15133 |
51.3 |
-0.3 |
0.506 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[ZN]C:505 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
15474 |
46.6 |
-34.5 |
0.000 |
0 |
0 |
0 |
0.042 |
25 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
15933 |
46.4 |
-34.5 |
0.000 |
0 |
0 |
0 |
0.042 |
26 |
|
[ZN]D:507 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
15317 |
45.4 |
-33.0 |
0.000 |
0 |
0 |
0 |
0.042 |
27 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
15133 |
44.7 |
-32.5 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
45.8 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.042 |
| 16 |
28 |
|
A |
5 |
1 |
15933 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
15933 |
40.8 |
-1.0 |
0.181 |
0 |
0 |
0 |
0.000 |
| 17 |
29 |
|
D |
2 |
2 |
15317 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
15317 |
24.1 |
0.5 |
0.528 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
[ZN]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.016 |
| 19 |
31 |
|
[ZN]C:506 |
1 |
1 |
98 |
f |
[ZN]C:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.014 |
| 20 |
32 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 21 |
33 |
|
[ZN]D:508 |
1 |
1 |
98 |
f |
[ZN]D:507 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 22 |
34 |
|
[ROL]D:509 |
1 |
1 |
478 |
f |
[ZN]D:507 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[ROL]B:505 |
1 |
1 |
479 |
f |
[ZN]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[ROL]A:503 |
1 |
1 |
473 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
1.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
|