| ## |
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 |
|
E |
56 |
12 |
2345 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
4312 |
573.4 |
-5.5 |
0.395 |
12 |
2 |
0 |
0.698 |
2 |
|
F |
49 |
12 |
2236 |
◊ |
B |
x,y,z |
1_555 |
61 |
17 |
4307 |
552.2 |
-5.3 |
0.364 |
10 |
2 |
0 |
0.698 |
3 |
|
H |
50 |
12 |
2401 |
◊ |
D |
x,y,z |
1_555 |
59 |
17 |
4531 |
549.7 |
-6.1 |
0.272 |
12 |
1 |
0 |
0.698 |
4 |
|
G |
52 |
13 |
2424 |
◊ |
C |
x,y,z |
1_555 |
58 |
17 |
4204 |
546.3 |
-5.0 |
0.341 |
12 |
1 |
0 |
0.698 |
| Average: |
555.4 |
-5.5 |
0.343 |
12 |
2 |
0 |
0.698 |
| 2 |
5 |
|
C |
47 |
13 |
4204 |
◊ |
D |
-x+3/2,y-1/2,-z-1/2 |
7_644 |
47 |
13 |
4531 |
455.0 |
-0.6 |
0.595 |
4 |
10 |
0 |
0.000 |
6 |
|
B |
44 |
12 |
4307 |
◊ |
B |
-x+1,y,-z-1/2 |
3_654 |
43 |
13 |
4307 |
405.7 |
-4.6 |
0.265 |
3 |
8 |
0 |
0.000 |
7 |
|
A |
38 |
11 |
4312 |
◊ |
A |
-x+2,y,-z-1/2 |
3_754 |
38 |
11 |
4312 |
403.2 |
-2.5 |
0.413 |
3 |
6 |
0 |
0.000 |
| Average: |
421.3 |
-2.6 |
0.424 |
3 |
8 |
0 |
0.000 |
| 3 |
8 |
|
G |
34 |
10 |
2424 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
4312 |
312.8 |
-3.3 |
0.370 |
1 |
0 |
0 |
0.152 |
9 |
|
E |
30 |
9 |
2345 |
◊ |
D |
x,y,z |
1_555 |
35 |
11 |
4531 |
307.9 |
-2.8 |
0.423 |
2 |
1 |
0 |
0.152 |
10 |
|
F |
32 |
9 |
2236 |
◊ |
C |
x,y,z |
1_555 |
37 |
12 |
4204 |
307.6 |
-3.1 |
0.446 |
3 |
0 |
0 |
0.152 |
11 |
|
H |
35 |
11 |
2401 |
◊ |
B |
x,y,z |
1_555 |
33 |
10 |
4307 |
284.8 |
-3.4 |
0.381 |
1 |
0 |
0 |
0.152 |
| Average: |
303.3 |
-3.2 |
0.405 |
2 |
0 |
0 |
0.152 |
| 4 |
12 |
|
H |
23 |
7 |
2401 |
◊ |
H |
x,-y+1,-z |
4_565 |
23 |
7 |
2401 |
199.3 |
-2.7 |
0.439 |
0 |
0 |
0 |
0.000 |
| 5 |
13 |
|
C |
18 |
7 |
4204 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
4312 |
175.7 |
0.5 |
0.683 |
3 |
0 |
0 |
0.056 |
14 |
|
C |
22 |
8 |
4204 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
4307 |
174.4 |
0.5 |
0.545 |
5 |
0 |
0 |
0.056 |
15 |
|
D |
16 |
7 |
4531 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
4307 |
162.8 |
-0.6 |
0.396 |
2 |
0 |
0 |
0.056 |
16 |
|
D |
17 |
8 |
4531 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
4312 |
161.4 |
-0.1 |
0.547 |
4 |
0 |
0 |
0.056 |
| Average: |
168.6 |
0.1 |
0.543 |
4 |
0 |
0 |
0.056 |
| 6 |
17 |
|
G |
19 |
5 |
2424 |
◊ |
E |
x,-y+1,-z |
4_565 |
20 |
4 |
2345 |
149.2 |
-1.0 |
0.576 |
1 |
1 |
0 |
0.000 |
| 7 |
18 |
|
F |
5 |
2 |
2236 |
◊ |
E |
x,-y+1,-z |
4_565 |
6 |
1 |
2345 |
54.4 |
-0.3 |
0.490 |
0 |
0 |
0 |
0.000 |
| 8 |
19 |
|
G |
6 |
2 |
2424 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
2345 |
54.3 |
0.7 |
0.795 |
0 |
0 |
0 |
0.000 |
20 |
|
H |
5 |
1 |
2401 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
2236 |
32.5 |
0.3 |
0.679 |
1 |
0 |
0 |
0.000 |
21 |
|
H |
3 |
2 |
2401 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
2345 |
30.8 |
0.3 |
0.729 |
1 |
0 |
0 |
0.000 |
22 |
|
G |
3 |
2 |
2424 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
2236 |
17.3 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
| Average: |
33.7 |
0.4 |
0.719 |
1 |
0 |
0 |
0.000 |
| 9 |
23 |
|
G |
3 |
1 |
2424 |
◊ |
A |
x,-y+1,-z |
4_565 |
4 |
2 |
4312 |
20.2 |
0.4 |
0.691 |
0 |
0 |
0 |
0.000 |
| 10 |
24 |
|
[ZN]F:101 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
4204 |
13.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.379 |
25 |
|
[ZN]E:102 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
4531 |
13.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.379 |
26 |
|
[ZN]H:104 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
4307 |
13.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.379 |
27 |
|
[ZN]G:103 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
4312 |
11.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.379 |
| Average: |
12.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.379 |
| 11 |
28 |
|
[ZN]H:104 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
4531 |
12.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.164 |
29 |
|
[ZN]F:101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
4307 |
10.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.164 |
30 |
|
[ZN]E:102 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
4312 |
9.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.164 |
31 |
|
[ZN]G:103 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4204 |
6.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.164 |
| Average: |
9.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.164 |
| 12 |
32 |
|
E |
1 |
1 |
2345 |
◊ |
E |
x,-y+1,-z |
4_565 |
1 |
1 |
2345 |
1.1 |
-0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
| 13 |
33 |
|
F |
1 |
1 |
2236 |
◊ |
D |
x,-y+1,-z |
4_565 |
1 |
1 |
4531 |
0.8 |
0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
|