| ## |
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 |
312 |
86 |
20836 |
◊ |
A |
x,y,z |
1_555 |
308 |
84 |
20867 |
2912.8 |
-21.5 |
0.123 |
49 |
35 |
0 |
0.246 |
| 2 |
2 |
|
A |
118 |
29 |
20867 |
◊ |
B |
-y+1,x-y,z |
2_655 |
122 |
29 |
20836 |
1078.1 |
-5.1 |
0.383 |
21 |
12 |
0 |
0.114 |
| 3 |
3 |
|
B |
69 |
22 |
20836 |
◊ |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
67 |
19 |
20867 |
659.1 |
8.5 |
0.964 |
11 |
17 |
0 |
0.000 |
| 4 |
4 |
|
[NAD]B:2518 |
43 |
1 |
847 |
f |
B |
x,y,z |
1_555 |
78 |
32 |
20836 |
582.1 |
-8.6 |
0.253 |
7 |
0 |
0 |
0.163 |
5 |
|
[NAD]A:1518 |
43 |
1 |
847 |
f |
A |
x,y,z |
1_555 |
82 |
32 |
20867 |
580.3 |
-8.5 |
0.259 |
7 |
0 |
0 |
0.163 |
| Average: |
581.2 |
-8.5 |
0.256 |
7 |
0 |
0 |
0.163 |
| 5 |
6 |
|
B |
35 |
7 |
20836 |
x |
B |
-y+1,x-y,z |
2_655 |
40 |
10 |
20836 |
318.6 |
0.5 |
0.669 |
4 |
6 |
0 |
0.020 |
7 |
|
A |
41 |
11 |
20867 |
x |
A |
-y+1,x-y,z |
2_655 |
37 |
8 |
20867 |
315.7 |
0.5 |
0.643 |
4 |
6 |
0 |
0.020 |
| Average: |
317.1 |
0.5 |
0.656 |
4 |
6 |
0 |
0.020 |
| 6 |
8 |
|
A |
21 |
6 |
20867 |
x |
A |
-y+1,x-y+1,z |
2_665 |
22 |
8 |
20867 |
165.0 |
1.7 |
0.781 |
2 |
4 |
0 |
0.000 |
| 7 |
9 |
|
[MPD]A:1531 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
20867 |
151.0 |
-9.5 |
0.620 |
0 |
0 |
0 |
0.066 |
| 8 |
10 |
|
[MPD]B:2532 |
7 |
1 |
280 |
f |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
26 |
8 |
20867 |
143.6 |
-8.7 |
0.700 |
0 |
0 |
0 |
0.061 |
| 9 |
11 |
|
[MPD]A:1533 |
7 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
20867 |
137.3 |
-8.2 |
0.799 |
2 |
0 |
0 |
0.064 |
| 10 |
12 |
|
[MPD]B:2534 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
20836 |
136.6 |
-8.5 |
0.776 |
0 |
0 |
0 |
0.059 |
| 11 |
13 |
|
[MPD]A:2530 |
7 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
22 |
6 |
20867 |
134.5 |
-9.2 |
0.612 |
0 |
0 |
0 |
0.065 |
| 12 |
14 |
|
[MPD]A:1530 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
20836 |
129.9 |
-8.9 |
0.624 |
0 |
0 |
0 |
0.062 |
| 13 |
15 |
|
[MPD]B:2531 |
7 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
20836 |
125.7 |
-8.4 |
0.604 |
1 |
0 |
0 |
0.062 |
| 14 |
16 |
|
[ACT]A:1519 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
20867 |
105.5 |
-1.4 |
0.462 |
0 |
0 |
0 |
0.010 |
| 15 |
17 |
|
[ACT]B:2519 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
20836 |
104.2 |
-1.3 |
0.488 |
0 |
0 |
0 |
0.009 |
| 16 |
18 |
|
B |
9 |
4 |
20836 |
x |
B |
-y,x-y,z |
2_555 |
14 |
5 |
20836 |
103.3 |
1.6 |
0.830 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[MPD]B:2532 |
6 |
1 |
280 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
20836 |
100.7 |
-5.4 |
0.692 |
2 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[ACT]A:1520 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
20867 |
86.6 |
0.9 |
0.818 |
1 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[ACT]B:2520 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
20836 |
86.2 |
0.9 |
0.825 |
1 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[MPD]B:2533 |
5 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
6 |
5 |
20867 |
83.4 |
-5.6 |
0.178 |
0 |
0 |
0 |
0.028 |
| 21 |
23 |
|
[MPD]B:2533 |
4 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20836 |
82.2 |
-5.3 |
0.464 |
2 |
0 |
0 |
0.043 |
| 22 |
24 |
|
[MPD]A:2535 |
4 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20867 |
80.7 |
-5.2 |
0.442 |
2 |
0 |
0 |
0.043 |
| 23 |
25 |
|
[MPD]A:2535 |
7 |
1 |
280 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
20836 |
79.0 |
-5.3 |
0.246 |
0 |
0 |
0 |
0.027 |
| 24 |
26 |
|
[NA]B:2521 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
20836 |
73.0 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.167 |
27 |
|
[NA]A:1521 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
20867 |
71.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.167 |
| Average: |
72.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.167 |
| 25 |
28 |
|
[MPD]A:2530 |
5 |
1 |
273 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
20836 |
71.4 |
-3.9 |
0.000 |
1 |
0 |
0 |
0.022 |
| 26 |
29 |
|
[MPD]A:1530 |
5 |
1 |
277 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
20867 |
70.6 |
-3.5 |
0.726 |
1 |
0 |
0 |
0.020 |
| 27 |
30 |
|
[ACT]B:2520 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20867 |
69.6 |
-0.4 |
0.653 |
1 |
0 |
0 |
0.006 |
| 28 |
31 |
|
[ACT]A:1520 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
20836 |
68.3 |
-0.5 |
0.641 |
1 |
0 |
0 |
0.007 |
| 29 |
32 |
|
B |
5 |
1 |
20836 |
x |
B |
-y+1,x-y+1,z |
2_665 |
6 |
2 |
20836 |
52.9 |
-0.2 |
0.509 |
1 |
2 |
0 |
0.000 |
| 30 |
33 |
|
[NAD]A:1518 |
3 |
1 |
847 |
f |
[ACT]A:1519 |
x,y,z |
1_555 |
3 |
1 |
183 |
42.5 |
1.0 |
0.830 |
2 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[NAD]B:2518 |
3 |
1 |
847 |
f |
[ACT]B:2519 |
x,y,z |
1_555 |
3 |
1 |
183 |
41.5 |
1.0 |
0.829 |
2 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[MPD]B:2534 |
3 |
1 |
278 |
◊ |
[MPD]A:1533 |
x,y,z |
1_555 |
3 |
1 |
278 |
37.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.018 |
| 33 |
36 |
|
[MPD]B:2534 |
2 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20867 |
8.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 34 |
37 |
|
[MPD]A:1533 |
2 |
1 |
278 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
20836 |
3.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|