| ## |
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 |
|
C |
128 |
37 |
7135 |
◊ |
B |
x,y,z |
1_555 |
113 |
30 |
7631 |
1069.4 |
-4.7 |
0.550 |
21 |
5 |
0 |
0.157 |
2 |
|
B |
124 |
36 |
7631 |
◊ |
A |
x,y,z |
1_555 |
113 |
33 |
7789 |
1039.6 |
-6.2 |
0.419 |
17 |
4 |
0 |
0.157 |
3 |
|
C |
111 |
31 |
7135 |
◊ |
A |
x,y,z |
1_555 |
125 |
36 |
7789 |
1012.7 |
-5.2 |
0.479 |
17 |
5 |
0 |
0.157 |
| Average: |
1040.6 |
-5.4 |
0.482 |
18 |
5 |
0 |
0.157 |
| 2 |
4 |
|
B |
48 |
16 |
7631 |
◊ |
A |
-x,y,-z-1 |
2_554 |
49 |
13 |
7789 |
469.4 |
2.4 |
0.570 |
7 |
6 |
0 |
0.000 |
| 3 |
5 |
|
C |
45 |
15 |
7135 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
42 |
13 |
7789 |
392.6 |
0.5 |
0.689 |
3 |
1 |
0 |
0.000 |
| 4 |
6 |
|
B |
46 |
15 |
7631 |
x |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
36 |
9 |
7631 |
367.6 |
-2.5 |
0.449 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
36 |
14 |
7789 |
◊ |
A |
-x,y,-z |
2_555 |
35 |
14 |
7789 |
277.8 |
1.8 |
0.774 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
23 |
7 |
7135 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
26 |
8 |
7135 |
225.9 |
0.0 |
0.647 |
3 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[717]A:202 |
10 |
1 |
297 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
7789 |
162.3 |
2.1 |
0.431 |
0 |
0 |
0 |
0.000 |
10 |
|
[717]A:163 |
10 |
1 |
296 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
7135 |
140.3 |
0.7 |
0.305 |
0 |
0 |
0 |
0.000 |
| Average: |
151.3 |
1.4 |
0.368 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[717]B:202 |
9 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
7631 |
137.7 |
0.9 |
0.346 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[717]B:202 |
8 |
1 |
297 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
7135 |
84.3 |
3.1 |
0.531 |
1 |
0 |
0 |
0.000 |
| 10 |
13 |
|
C |
8 |
3 |
7135 |
◊ |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
12 |
3 |
7631 |
79.6 |
0.6 |
0.750 |
2 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[717]A:163 |
6 |
1 |
296 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
7789 |
73.4 |
2.5 |
0.546 |
1 |
0 |
0 |
0.000 |
15 |
|
[717]A:202 |
6 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
7631 |
66.3 |
1.9 |
0.533 |
1 |
0 |
0 |
0.000 |
| Average: |
69.9 |
2.2 |
0.540 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
B |
6 |
2 |
7631 |
◊ |
C |
-x+1/2,y-1/2,-z-1 |
4_544 |
9 |
3 |
7135 |
71.9 |
0.4 |
0.664 |
2 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[K]B:163 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
7631 |
69.4 |
-40.3 |
0.000 |
0 |
0 |
0 |
0.398 |
18 |
|
[K]B:163 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
7135 |
65.7 |
-37.5 |
0.000 |
0 |
0 |
0 |
0.398 |
19 |
|
[K]B:163 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
7789 |
55.2 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.398 |
| Average: |
63.4 |
-36.0 |
0.000 |
0 |
0 |
0 |
0.398 |
| 14 |
20 |
|
[CL]A:164 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7789 |
68.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.045 |
| 15 |
21 |
|
[ACT]A:165 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7789 |
62.3 |
-0.7 |
0.608 |
1 |
0 |
0 |
0.004 |
| 16 |
22 |
|
[ACT]A:165 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
7135 |
59.2 |
0.1 |
0.655 |
3 |
0 |
0 |
0.005 |
| 17 |
23 |
|
[ZN]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
7135 |
36.1 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.270 |
24 |
|
[ZN]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7789 |
34.3 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.270 |
25 |
|
[ZN]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
7631 |
33.2 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.270 |
| Average: |
34.6 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.270 |
| 18 |
26 |
|
[717]A:163 |
3 |
1 |
296 |
f |
[ZN]C:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.139 |
27 |
|
[717]B:202 |
3 |
1 |
297 |
f |
[ZN]B:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.139 |
28 |
|
[717]A:202 |
4 |
1 |
297 |
f |
[ZN]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.5 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
29.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.139 |
| 19 |
29 |
|
[ACT]A:165 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7631 |
28.4 |
-0.5 |
0.599 |
0 |
0 |
0 |
0.002 |
| 20 |
30 |
|
A |
3 |
1 |
7789 |
◊ |
A |
-x,y,-z-1 |
2_554 |
3 |
1 |
7789 |
27.0 |
1.1 |
0.895 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
[ZN]B:201 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7135 |
8.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.017 |
32 |
|
[ZN]A:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7631 |
4.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.017 |
33 |
|
[ZN]C:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7789 |
2.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
5.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.017 |
| 22 |
34 |
|
B |
1 |
1 |
7631 |
◊ |
B |
-x,y,-z-1 |
2_554 |
1 |
1 |
7631 |
8.3 |
0.3 |
0.843 |
0 |
0 |
0 |
0.000 |
| 23 |
35 |
|
C |
3 |
1 |
7135 |
◊ |
[ACT]A:165 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
182 |
6.3 |
0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
|