| ## |
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 |
70 |
25 |
6419 |
x |
B |
-y-1,x,z |
3_455 |
83 |
27 |
6419 |
830.3 |
-13.1 |
0.659 |
7 |
5 |
0 |
0.078 |
2 |
|
A |
83 |
25 |
6057 |
x |
A |
-y-1,x,z |
3_455 |
77 |
25 |
6057 |
781.9 |
-14.0 |
0.755 |
6 |
6 |
0 |
0.078 |
| Average: |
806.1 |
-13.6 |
0.707 |
7 |
6 |
0 |
0.078 |
| 2 |
3 |
|
A |
24 |
9 |
6057 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
24 |
9 |
6419 |
262.6 |
-7.2 |
0.255 |
0 |
0 |
0 |
0.124 |
| 3 |
4 |
|
A |
29 |
7 |
6057 |
◊ |
B |
-y-1/2,x+1/2,z-1/2 |
7_454 |
29 |
7 |
6419 |
247.1 |
-1.8 |
0.907 |
5 |
3 |
0 |
0.000 |
| 4 |
5 |
|
[MPD]A:501 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
6057 |
150.5 |
-9.8 |
0.913 |
1 |
0 |
0 |
0.177 |
| 5 |
6 |
|
[MPD]B:502 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
6419 |
144.5 |
-9.5 |
0.802 |
1 |
0 |
0 |
0.171 |
| 6 |
7 |
|
A |
13 |
4 |
6057 |
◊ |
B |
-x-1,-y-1,z-1 |
2_444 |
13 |
6 |
6419 |
141.1 |
-2.4 |
0.588 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
15 |
6 |
6057 |
◊ |
B |
-y-1/2,x-1/2,z-1/2 |
7_444 |
16 |
6 |
6419 |
140.8 |
-0.9 |
0.748 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[MPD]A:504 |
6 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
6057 |
136.4 |
-9.0 |
0.861 |
0 |
0 |
0 |
0.156 |
| 9 |
10 |
|
A |
14 |
5 |
6057 |
◊ |
[MPD]B:503 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
6 |
1 |
279 |
107.0 |
-7.2 |
0.765 |
0 |
0 |
0 |
0.124 |
| 10 |
11 |
|
[MPD]B:503 |
6 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
6419 |
99.8 |
-6.6 |
0.710 |
0 |
0 |
0 |
0.114 |
| 11 |
12 |
|
[K]B:7 |
1 |
1 |
216 |
f |
[K]B:2 |
x,y,z |
1_555 |
1 |
1 |
216 |
70.2 |
-70.2 |
0.000 |
0 |
0 |
0 |
0.080 |
| 12 |
13 |
|
[K]A:9 |
1 |
1 |
216 |
f |
[K]A:4 |
x,y,z |
1_555 |
1 |
1 |
216 |
66.5 |
-66.5 |
0.000 |
0 |
0 |
0 |
0.053 |
| 13 |
14 |
|
[K]A:4 |
1 |
1 |
216 |
f |
[K]A:1 |
x,y,z |
1_555 |
1 |
1 |
216 |
62.2 |
-62.2 |
0.000 |
0 |
0 |
0 |
0.049 |
| 14 |
15 |
|
[K]B:6 |
1 |
1 |
216 |
f |
[K]B:2 |
x,y,z |
1_555 |
1 |
1 |
216 |
61.3 |
-61.3 |
0.000 |
0 |
0 |
0 |
0.070 |
| 15 |
16 |
|
[K]A:3 |
1 |
1 |
216 |
f |
[K]A:10 |
x,y,z |
1_555 |
1 |
1 |
216 |
61.3 |
-61.3 |
0.000 |
0 |
0 |
0 |
0.048 |
| 16 |
17 |
|
[K]B:7 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
11 |
5 |
6419 |
60.7 |
-39.3 |
0.000 |
0 |
0 |
0 |
0.526 |
18 |
|
[K]B:2 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
9 |
3 |
6419 |
56.8 |
-38.4 |
0.000 |
0 |
0 |
0 |
0.526 |
19 |
|
[K]A:4 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
13 |
5 |
6057 |
53.9 |
-34.9 |
0.000 |
0 |
0 |
0 |
0.526 |
20 |
|
[K]A:5 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
10 |
4 |
6057 |
53.1 |
-37.2 |
0.000 |
0 |
0 |
0 |
0.526 |
21 |
|
[K]B:6 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
10 |
4 |
6419 |
52.2 |
-37.0 |
0.000 |
0 |
0 |
0 |
0.526 |
22 |
|
[K]A:1 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
9 |
3 |
6057 |
51.4 |
-34.0 |
0.000 |
0 |
0 |
0 |
0.526 |
| Average: |
54.7 |
-36.8 |
0.000 |
0 |
0 |
0 |
0.526 |
| 17 |
23 |
|
[K]A:5 |
1 |
1 |
216 |
f |
[K]A:1 |
x,y,z |
1_555 |
1 |
1 |
216 |
57.6 |
-57.6 |
0.000 |
0 |
0 |
0 |
0.045 |
| 18 |
24 |
|
[K]A:9 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
11 |
4 |
6057 |
57.3 |
-39.6 |
0.000 |
0 |
0 |
0 |
0.125 |
| 19 |
25 |
|
A |
9 |
3 |
6057 |
◊ |
[MPD]A:501 |
-y-1,x,z |
3_455 |
4 |
1 |
277 |
53.3 |
-3.1 |
0.896 |
0 |
0 |
0 |
0.010 |
| 20 |
26 |
|
B |
6 |
1 |
6419 |
◊ |
A |
x-1/2,y+1/2,z+1/2 |
5_455 |
5 |
1 |
6057 |
51.4 |
0.8 |
0.888 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[K]B:8 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
7 |
2 |
6419 |
50.9 |
-31.0 |
0.000 |
0 |
0 |
0 |
0.142 |
28 |
|
[K]A:3 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
9 |
2 |
6057 |
50.6 |
-32.2 |
0.000 |
0 |
0 |
0 |
0.142 |
| Average: |
50.7 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.142 |
| 22 |
29 |
|
[MPD]A:504 |
5 |
1 |
277 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
6 |
3 |
6419 |
46.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.052 |
| 23 |
30 |
|
B |
5 |
2 |
6419 |
◊ |
A |
-y-1,x,z+1 |
3_456 |
8 |
3 |
6057 |
45.8 |
0.3 |
0.860 |
0 |
2 |
0 |
0.000 |
| 24 |
31 |
|
[MPD]A:504 |
3 |
1 |
277 |
◊ |
[MPD]B:503 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
3 |
1 |
279 |
42.7 |
-4.1 |
0.997 |
1 |
0 |
0 |
0.078 |
| 25 |
32 |
|
[K]A:9 |
1 |
1 |
216 |
f |
[K]A:1 |
x,y,z |
1_555 |
1 |
1 |
216 |
34.8 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.027 |
| 26 |
33 |
|
[K]A:10 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
4 |
2 |
6057 |
30.9 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.052 |
| 27 |
34 |
|
[K]A:9 |
1 |
1 |
216 |
f |
[K]A:3 |
x,y,z |
1_555 |
1 |
1 |
216 |
23.6 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.019 |
| 28 |
35 |
|
[K]B:7 |
1 |
1 |
216 |
f |
[K]B:6 |
x,y,z |
1_555 |
1 |
1 |
216 |
23.6 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.027 |
| 29 |
36 |
|
[K]A:5 |
1 |
1 |
216 |
f |
[K]A:4 |
x,y,z |
1_555 |
1 |
1 |
216 |
22.4 |
-22.4 |
0.000 |
0 |
0 |
0 |
0.018 |
| 30 |
37 |
|
A |
5 |
3 |
6057 |
◊ |
A |
-x-1,-y-1,z |
2_445 |
5 |
3 |
6057 |
19.1 |
0.2 |
0.886 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
5 |
3 |
6419 |
◊ |
B |
-x-1,-y-1,z |
2_445 |
5 |
3 |
6419 |
16.3 |
0.1 |
0.853 |
0 |
0 |
0 |
0.000 |
| Average: |
17.7 |
0.2 |
0.869 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
B |
3 |
2 |
6419 |
x |
B |
-y-1/2,x+1/2,z-1/2 |
7_454 |
2 |
2 |
6419 |
6.7 |
-0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[MPD]B:503 |
1 |
1 |
279 |
f |
[MPD]B:502 |
x,y,z |
1_555 |
2 |
1 |
278 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
|