| ## |
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 |
|
B |
130 |
36 |
7598 |
◊ |
A |
x,y,z |
1_555 |
114 |
30 |
7220 |
1113.1 |
-4.6 |
0.639 |
20 |
11 |
0 |
0.259 |
2 |
|
C |
113 |
32 |
7533 |
◊ |
A |
x,y,z |
1_555 |
125 |
36 |
7220 |
1100.9 |
-5.8 |
0.535 |
21 |
8 |
0 |
0.259 |
3 |
|
C |
126 |
37 |
7533 |
◊ |
B |
x,y,z |
1_555 |
111 |
33 |
7598 |
1048.4 |
-5.5 |
0.549 |
18 |
6 |
0 |
0.259 |
| Average: |
1087.5 |
-5.3 |
0.574 |
20 |
8 |
0 |
0.259 |
| 2 |
4 |
|
A |
47 |
17 |
7220 |
◊ |
A |
-x,y,-z |
2_555 |
46 |
17 |
7220 |
511.8 |
-2.9 |
0.503 |
10 |
2 |
0 |
0.000 |
| 3 |
5 |
|
C |
50 |
16 |
7533 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
51 |
17 |
7598 |
500.0 |
-6.7 |
0.197 |
4 |
4 |
0 |
0.000 |
| 4 |
6 |
|
C |
23 |
11 |
7533 |
◊ |
B |
x,y-1,z |
1_545 |
27 |
10 |
7598 |
254.2 |
-3.4 |
0.254 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[CIT]B:1160 |
12 |
1 |
311 |
f |
B |
x,y,z |
1_555 |
28 |
14 |
7598 |
183.0 |
-0.6 |
0.327 |
6 |
0 |
0 |
0.019 |
| 6 |
8 |
|
B |
20 |
6 |
7598 |
◊ |
B |
-x,y,-z+1 |
2_556 |
20 |
6 |
7598 |
166.4 |
0.3 |
0.714 |
0 |
6 |
0 |
0.000 |
| 7 |
9 |
|
[CIT]A:1160 |
10 |
1 |
310 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
7220 |
149.1 |
0.8 |
0.413 |
4 |
0 |
0 |
0.012 |
10 |
|
[CIT]C:1160 |
12 |
1 |
308 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
7533 |
141.6 |
1.1 |
0.540 |
5 |
0 |
0 |
0.012 |
| Average: |
145.4 |
0.9 |
0.477 |
5 |
0 |
0 |
0.012 |
| 8 |
11 |
|
C |
10 |
3 |
7533 |
◊ |
A |
-x,y,-z+1 |
2_556 |
8 |
3 |
7220 |
64.7 |
-0.3 |
0.537 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
C |
8 |
2 |
7533 |
◊ |
C |
-x,y,-z+1 |
2_556 |
8 |
2 |
7533 |
61.0 |
1.2 |
0.817 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[CIT]B:1160 |
8 |
1 |
311 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
7533 |
59.7 |
1.9 |
0.549 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[CIT]C:1160 |
5 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7220 |
59.6 |
0.6 |
0.476 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[PO4]C:1161 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
7220 |
57.3 |
-3.8 |
0.446 |
1 |
0 |
0 |
0.024 |
| 13 |
16 |
|
[CIT]A:1160 |
6 |
1 |
310 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7598 |
57.2 |
1.4 |
0.530 |
2 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[PO4]C:1161 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
7533 |
56.5 |
-3.7 |
0.491 |
1 |
0 |
0 |
0.024 |
| 15 |
18 |
|
[PO4]C:1161 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7598 |
51.3 |
-3.1 |
0.526 |
1 |
0 |
0 |
0.020 |
| 16 |
19 |
|
[ZN]C:1162 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
7533 |
34.4 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.404 |
20 |
|
[ZN]A:1161 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7220 |
34.3 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.404 |
21 |
|
[ZN]B:1161 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
7598 |
32.6 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.404 |
| Average: |
33.7 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.404 |
| 17 |
22 |
|
[ZN]B:1161 |
1 |
1 |
98 |
f |
[CIT]B:1160 |
x,y,z |
1_555 |
4 |
1 |
311 |
29.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.071 |
| 18 |
23 |
|
[ZN]C:1162 |
1 |
1 |
98 |
f |
[CIT]C:1160 |
x,y,z |
1_555 |
3 |
1 |
308 |
28.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.127 |
24 |
|
[ZN]A:1161 |
1 |
1 |
98 |
f |
[CIT]A:1160 |
x,y,z |
1_555 |
3 |
1 |
310 |
28.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.127 |
| Average: |
28.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.127 |
| 19 |
25 |
|
B |
4 |
1 |
7598 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
7598 |
23.7 |
0.6 |
0.790 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[ZN]B:1161 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
7533 |
11.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.052 |
27 |
|
[ZN]C:1162 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7220 |
10.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.052 |
28 |
|
[ZN]A:1161 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
7598 |
10.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
10.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.052 |
| 21 |
29 |
|
C |
4 |
2 |
7533 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
7220 |
8.6 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
C |
2 |
2 |
7533 |
◊ |
B |
-x,y,-z+1 |
2_556 |
3 |
1 |
7598 |
8.0 |
-0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
|