| ## |
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 |
|
F |
115 |
15 |
6790 |
◊ |
B |
x,y,z |
1_555 |
119 |
33 |
8832 |
1047.2 |
-8.1 |
0.685 |
20 |
0 |
0 |
0.276 |
2 |
|
H |
115 |
15 |
6784 |
◊ |
A |
x,y,z |
1_555 |
122 |
34 |
8800 |
1040.3 |
-9.1 |
0.675 |
23 |
0 |
0 |
0.276 |
3 |
|
G |
112 |
15 |
6786 |
◊ |
E |
x,y,z |
1_555 |
121 |
34 |
8815 |
1040.0 |
-7.1 |
0.688 |
21 |
0 |
0 |
0.276 |
| Average: |
1042.5 |
-8.1 |
0.683 |
21 |
0 |
0 |
0.276 |
| 2 |
4 |
|
F |
104 |
15 |
6790 |
◊ |
E |
x,y,z |
1_555 |
110 |
35 |
8815 |
965.6 |
-14.8 |
0.588 |
13 |
0 |
0 |
0.253 |
5 |
|
G |
111 |
15 |
6786 |
◊ |
A |
x,y,z |
1_555 |
111 |
35 |
8800 |
949.2 |
-15.2 |
0.598 |
13 |
0 |
0 |
0.253 |
6 |
|
H |
111 |
15 |
6784 |
◊ |
B |
x,y,z |
1_555 |
110 |
36 |
8832 |
936.8 |
-12.5 |
0.642 |
11 |
0 |
0 |
0.253 |
| Average: |
950.6 |
-14.2 |
0.609 |
12 |
0 |
0 |
0.253 |
| 3 |
7 |
|
A |
39 |
13 |
8800 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
37 |
14 |
8832 |
312.9 |
3.8 |
0.895 |
3 |
0 |
0 |
0.000 |
| 4 |
8 |
|
[A23]F:32 |
25 |
1 |
492 |
◊ |
B |
x,y,z |
1_555 |
53 |
17 |
8832 |
302.3 |
0.0 |
0.447 |
9 |
0 |
0 |
0.065 |
9 |
|
[A23]G:32 |
24 |
1 |
480 |
◊ |
E |
x,y,z |
1_555 |
55 |
18 |
8815 |
299.4 |
1.2 |
0.498 |
11 |
0 |
0 |
0.065 |
10 |
|
[A23]H:32 |
25 |
1 |
477 |
◊ |
A |
x,y,z |
1_555 |
55 |
18 |
8800 |
295.8 |
1.4 |
0.467 |
11 |
0 |
0 |
0.065 |
| Average: |
299.2 |
0.9 |
0.471 |
10 |
0 |
0 |
0.065 |
| 5 |
11 |
|
E |
31 |
10 |
8815 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
4_544 |
33 |
10 |
8800 |
294.9 |
-2.8 |
0.287 |
2 |
0 |
0 |
0.001 |
| 6 |
12 |
|
G |
23 |
2 |
6786 |
◊ |
H |
-x+1/2,y-1/2,-z-1 |
4_544 |
23 |
4 |
6784 |
175.2 |
-3.6 |
0.730 |
1 |
0 |
0 |
0.001 |
| 7 |
13 |
|
E |
20 |
8 |
8815 |
◊ |
E |
-x,y,-z |
2_555 |
20 |
8 |
8815 |
173.5 |
0.6 |
0.700 |
2 |
0 |
0 |
0.000 |
| 8 |
14 |
|
B |
20 |
7 |
8832 |
◊ |
B |
-x,y,-z-1 |
2_554 |
19 |
6 |
8832 |
163.3 |
0.0 |
0.620 |
2 |
0 |
0 |
0.000 |
| 9 |
15 |
|
E |
14 |
6 |
8815 |
◊ |
H |
-x+1/2,y-1/2,-z-1 |
4_544 |
19 |
5 |
6784 |
136.9 |
-2.4 |
0.622 |
2 |
0 |
0 |
0.001 |
| 10 |
16 |
|
H |
18 |
2 |
6784 |
◊ |
A |
x,y,z-1 |
1_554 |
18 |
5 |
8800 |
136.2 |
-3.5 |
0.461 |
3 |
0 |
0 |
0.000 |
| 11 |
17 |
|
F |
17 |
3 |
6790 |
◊ |
F |
-x,y,-z-1 |
2_554 |
17 |
3 |
6790 |
106.0 |
-5.4 |
0.532 |
2 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[A23]H:32 |
10 |
1 |
477 |
cf |
H |
x,y,z |
1_555 |
9 |
1 |
6784 |
89.6 |
1.0 |
0.559 |
0 |
0 |
0 |
0.000 |
19 |
|
[A23]F:32 |
12 |
1 |
492 |
cf |
F |
x,y,z |
1_555 |
9 |
1 |
6790 |
89.4 |
0.8 |
0.580 |
0 |
0 |
0 |
0.000 |
20 |
|
[A23]G:32 |
14 |
1 |
480 |
cf |
G |
x,y,z |
1_555 |
9 |
1 |
6786 |
87.9 |
0.0 |
0.501 |
0 |
0 |
0 |
0.000 |
| Average: |
89.0 |
0.6 |
0.547 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[ZN]G:1034 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
16 |
5 |
6786 |
61.0 |
-36.6 |
0.000 |
0 |
0 |
0 |
0.285 |
22 |
|
[ZN]H:1033 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
6784 |
51.9 |
-29.0 |
0.000 |
0 |
0 |
0 |
0.285 |
| Average: |
56.5 |
-32.8 |
0.000 |
0 |
0 |
0 |
0.285 |
| 14 |
23 |
|
A |
6 |
3 |
8800 |
x |
A |
x,y,z-1 |
1_554 |
10 |
4 |
8800 |
58.6 |
-0.3 |
0.516 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[ZN]E:1163 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
8815 |
47.4 |
-21.6 |
0.000 |
0 |
0 |
0 |
0.310 |
25 |
|
[ZN]A:1163 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8800 |
43.2 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.310 |
26 |
|
[ZN]B:1163 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8832 |
42.5 |
-19.1 |
0.000 |
0 |
0 |
0 |
0.310 |
| Average: |
44.4 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.310 |
| 16 |
27 |
|
[ZN]G:1033 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
12 |
3 |
6786 |
44.9 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.362 |
28 |
|
[ZN]H:1032 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
3 |
6784 |
43.0 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.362 |
29 |
|
[ZN]F:1032 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
6790 |
42.2 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.362 |
| Average: |
43.4 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.362 |
| 17 |
30 |
|
[ZN]G:1032 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
6786 |
44.8 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.195 |
31 |
|
[ZN]H:1035 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
6784 |
42.6 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.195 |
| Average: |
43.7 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.195 |
| 18 |
32 |
|
G |
7 |
3 |
6786 |
x |
G |
x,y,z-1 |
1_554 |
8 |
2 |
6786 |
41.7 |
-2.1 |
0.529 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
[ZN]H:1034 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
12 |
2 |
6784 |
40.6 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.134 |
| 20 |
34 |
|
[ZN]H:1034 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
8832 |
40.3 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.106 |
| 21 |
35 |
|
[A23]H:32 |
4 |
1 |
477 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
6786 |
38.2 |
0.1 |
0.399 |
0 |
0 |
0 |
0.000 |
36 |
|
[A23]F:32 |
4 |
1 |
492 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
6784 |
33.4 |
1.3 |
0.646 |
0 |
0 |
0 |
0.000 |
| Average: |
35.8 |
0.7 |
0.523 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[ZN]F:1032 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
8815 |
36.1 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.204 |
38 |
|
[ZN]H:1032 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
8832 |
30.0 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.204 |
39 |
|
[ZN]G:1033 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
8800 |
28.8 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.204 |
| Average: |
31.6 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.204 |
| 23 |
40 |
|
[A23]G:32 |
4 |
1 |
480 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
6790 |
34.9 |
0.4 |
0.487 |
0 |
0 |
0 |
0.000 |
| 24 |
41 |
|
F |
3 |
1 |
6790 |
◊ |
B |
-x,y,-z-1 |
2_554 |
3 |
1 |
8832 |
32.9 |
1.0 |
0.835 |
0 |
0 |
0 |
0.000 |
| 25 |
42 |
|
[ZN]A:1164 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
8832 |
30.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.020 |
| 26 |
43 |
|
[ZN]A:1164 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
8800 |
29.3 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.086 |
| 27 |
44 |
|
A |
4 |
1 |
8800 |
◊ |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
4 |
1 |
8832 |
28.1 |
-0.4 |
0.393 |
0 |
0 |
0 |
0.000 |
| 28 |
45 |
|
A |
4 |
2 |
8800 |
◊ |
H |
-x+1/2,y-1/2,-z-1 |
4_544 |
3 |
1 |
6784 |
27.9 |
-1.1 |
0.441 |
0 |
0 |
0 |
0.000 |
| 29 |
46 |
|
G |
4 |
2 |
6786 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
4_544 |
7 |
2 |
8800 |
24.3 |
-1.1 |
0.482 |
0 |
0 |
0 |
0.000 |
| 30 |
47 |
|
F |
2 |
2 |
6790 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
4 |
8832 |
19.8 |
-1.2 |
0.373 |
0 |
0 |
0 |
0.000 |
| 31 |
48 |
|
F |
8 |
1 |
6790 |
◊ |
E |
-x,y,-z-1 |
2_554 |
3 |
2 |
8815 |
16.7 |
0.4 |
0.720 |
0 |
0 |
0 |
0.000 |
| 32 |
49 |
|
G |
3 |
1 |
6786 |
◊ |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
2 |
2 |
8832 |
13.9 |
0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
| 33 |
50 |
|
[ZN]H:1035 |
1 |
1 |
98 |
f |
[ZN]H:1032 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.051 |
| 34 |
51 |
|
E |
1 |
1 |
8815 |
x |
E |
x,y,z-1 |
1_554 |
1 |
1 |
8815 |
9.7 |
0.2 |
0.810 |
0 |
0 |
0 |
0.000 |
| 35 |
52 |
|
G |
2 |
2 |
6786 |
◊ |
E |
x,y,z-1 |
1_554 |
2 |
2 |
8815 |
4.9 |
-0.2 |
0.510 |
0 |
0 |
0 |
0.000 |
| 36 |
53 |
|
F |
1 |
1 |
6790 |
x |
F |
x,y,z-1 |
1_554 |
2 |
1 |
6790 |
3.6 |
0.0 |
0.528 |
0 |
0 |
0 |
0.000 |
| 37 |
54 |
|
[ZN]E:1163 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6790 |
3.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 38 |
55 |
|
[ZN]G:1033 |
1 |
1 |
98 |
f |
[ZN]G:1032 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.016 |
|