| ## |
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 |
55 |
17 |
9548 |
◊ |
A |
x,y,z |
1_555 |
57 |
17 |
9511 |
522.6 |
-3.7 |
0.305 |
5 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
33 |
9 |
9548 |
◊ |
A |
-x-1,y,-z-1 |
2_454 |
36 |
9 |
9511 |
323.5 |
-1.0 |
0.518 |
4 |
2 |
0 |
0.000 |
| 3 |
3 |
|
[9OB]B:401 |
25 |
1 |
482 |
f |
B |
x,y,z |
1_555 |
55 |
15 |
9548 |
295.1 |
-0.0 |
0.352 |
3 |
0 |
0 |
0.001 |
| 4 |
4 |
|
B |
26 |
7 |
9548 |
x |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
36 |
12 |
9548 |
247.2 |
-1.6 |
0.441 |
0 |
3 |
0 |
0.000 |
5 |
|
A |
26 |
10 |
9511 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
22 |
6 |
9511 |
220.5 |
-1.8 |
0.384 |
0 |
0 |
0 |
0.000 |
| Average: |
233.8 |
-1.7 |
0.413 |
0 |
2 |
0 |
0.000 |
| 5 |
6 |
|
A |
20 |
8 |
9511 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
25 |
7 |
9548 |
193.0 |
-0.2 |
0.594 |
1 |
0 |
0 |
0.000 |
7 |
|
B |
13 |
5 |
9548 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
19 |
6 |
9511 |
138.6 |
0.9 |
0.723 |
1 |
0 |
0 |
0.000 |
| Average: |
165.8 |
0.4 |
0.659 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
16 |
5 |
9548 |
◊ |
A |
-x,y,-z |
2_555 |
23 |
6 |
9511 |
131.0 |
1.4 |
0.783 |
0 |
2 |
0 |
0.000 |
| 7 |
9 |
|
B |
17 |
6 |
9548 |
◊ |
A |
x,y,z-1 |
1_554 |
13 |
4 |
9511 |
122.5 |
-1.8 |
0.279 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
A |
7 |
4 |
9511 |
◊ |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
10 |
2 |
9548 |
70.3 |
0.2 |
0.633 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[IOD]B:408 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
9548 |
63.7 |
-0.2 |
0.660 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
A |
5 |
1 |
9511 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
9 |
4 |
9548 |
62.8 |
2.2 |
0.874 |
2 |
0 |
0 |
0.000 |
| 11 |
13 |
|
A |
4 |
3 |
9511 |
◊ |
A |
-x,y,-z |
2_555 |
4 |
3 |
9511 |
49.6 |
-0.4 |
0.422 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
B |
3 |
2 |
9548 |
◊ |
B |
-x,y,-z |
2_555 |
3 |
2 |
9548 |
42.7 |
-0.3 |
0.428 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[CL]A:406 |
1 |
1 |
125 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
8 |
4 |
9511 |
42.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
11 |
4 |
9548 |
◊ |
[CL]B:407 |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
125 |
41.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
42.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[OH]A:404 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9511 |
38.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.002 |
18 |
|
[OH]B:405 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9548 |
28.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
33.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| 15 |
19 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9511 |
38.0 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.048 |
20 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
9511 |
35.3 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.048 |
21 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9548 |
28.7 |
-21.6 |
0.000 |
0 |
0 |
0 |
0.048 |
22 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9548 |
28.3 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
32.6 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.048 |
| 16 |
23 |
|
[CL]A:405 |
1 |
1 |
125 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
8 |
4 |
9511 |
37.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
8 |
4 |
9548 |
◊ |
[CL]B:406 |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
125 |
35.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
36.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[CL]B:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9548 |
37.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.008 |
26 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9511 |
34.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.008 |
27 |
|
[CL]B:407 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
9548 |
31.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.008 |
28 |
|
[CL]A:406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
9511 |
30.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
33.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.008 |
| 18 |
29 |
|
[9OB]B:401 |
3 |
1 |
482 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
9511 |
32.0 |
-0.6 |
0.271 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[IOD]B:408 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
9511 |
32.0 |
0.0 |
0.755 |
0 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[IOD]B:408 |
1 |
1 |
144 |
f |
[9OB]B:401 |
x,y,z |
1_555 |
3 |
1 |
482 |
30.4 |
-0.5 |
0.399 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[9OB]B:401 |
4 |
1 |
482 |
f |
[ZN]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.009 |
| 22 |
33 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
A |
-x-1/2,y-1/2,-z |
4_445 |
9 |
5 |
9511 |
24.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.012 |
34 |
|
B |
9 |
5 |
9548 |
f |
[ZN]B:404 |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
98 |
24.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
24.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.012 |
| 23 |
35 |
|
[9OB]B:401 |
5 |
1 |
482 |
f |
[OH]B:405 |
x,y,z |
1_555 |
1 |
1 |
99 |
24.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.001 |
| 24 |
36 |
|
[ZN]B:404 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9548 |
24.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[ZN]A:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
9511 |
23.2 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
23.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[OH]A:404 |
1 |
1 |
99 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.009 |
| 26 |
39 |
|
[OH]A:404 |
1 |
1 |
99 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.009 |
| 27 |
40 |
|
[CL]B:407 |
1 |
1 |
125 |
◊ |
[ZN]B:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
41 |
|
[CL]A:405 |
1 |
1 |
125 |
◊ |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.8 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
42 |
|
[CL]B:406 |
1 |
1 |
125 |
◊ |
[ZN]B:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
43 |
|
[CL]A:406 |
1 |
1 |
125 |
◊ |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
44 |
|
[9OB]B:401 |
4 |
1 |
482 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.006 |
| 32 |
45 |
|
[OH]B:405 |
1 |
1 |
99 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 33 |
46 |
|
[CL]B:407 |
1 |
1 |
125 |
f |
[CL]B:406 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 34 |
47 |
|
[CL]A:406 |
1 |
1 |
125 |
f |
[CL]A:405 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 35 |
48 |
|
[OH]B:405 |
1 |
1 |
99 |
f |
[ZN]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| 36 |
49 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 37 |
50 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.007 |
|