| ## |
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 |
309 |
85 |
20812 |
◊ |
A |
x,y,z |
1_555 |
308 |
85 |
20922 |
2897.3 |
-21.5 |
0.120 |
48 |
33 |
0 |
0.299 |
| 2 |
2 |
|
A |
116 |
29 |
20922 |
◊ |
B |
-y+1,x-y,z |
2_655 |
114 |
29 |
20812 |
1077.6 |
-4.7 |
0.394 |
22 |
12 |
0 |
0.131 |
| 3 |
3 |
|
B |
67 |
21 |
20812 |
◊ |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
65 |
18 |
20922 |
660.1 |
8.4 |
0.966 |
10 |
16 |
0 |
0.000 |
| 4 |
4 |
|
[NAD]A:1518 |
43 |
1 |
847 |
f |
A |
x,y,z |
1_555 |
84 |
32 |
20922 |
582.4 |
-8.7 |
0.236 |
7 |
0 |
0 |
0.187 |
5 |
|
[NAD]B:1518 |
43 |
1 |
845 |
f |
B |
x,y,z |
1_555 |
82 |
32 |
20812 |
574.1 |
-8.3 |
0.268 |
7 |
0 |
0 |
0.187 |
| Average: |
578.3 |
-8.5 |
0.252 |
7 |
0 |
0 |
0.187 |
| 5 |
6 |
|
B |
36 |
8 |
20812 |
x |
B |
-y+1,x-y,z |
2_655 |
40 |
11 |
20812 |
319.2 |
0.6 |
0.666 |
3 |
6 |
0 |
0.015 |
7 |
|
A |
39 |
10 |
20922 |
x |
A |
-y+1,x-y,z |
2_655 |
36 |
8 |
20922 |
308.5 |
0.4 |
0.636 |
2 |
4 |
0 |
0.015 |
| Average: |
313.8 |
0.5 |
0.651 |
3 |
5 |
0 |
0.015 |
| 6 |
8 |
|
A |
19 |
5 |
20922 |
x |
A |
-y+1,x-y+1,z |
2_665 |
18 |
4 |
20922 |
150.8 |
2.6 |
0.874 |
2 |
5 |
0 |
0.000 |
| 7 |
9 |
|
[MPD]B:1525 |
7 |
1 |
280 |
f |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
26 |
8 |
20922 |
143.7 |
-8.8 |
0.696 |
0 |
0 |
0 |
0.071 |
| 8 |
10 |
|
[MPD]A:1523 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
20922 |
139.2 |
-8.2 |
0.797 |
3 |
0 |
0 |
0.077 |
| 9 |
11 |
|
[MRD]B:1522 |
7 |
1 |
274 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
20812 |
136.7 |
2.0 |
0.391 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[MPD]B:1521 |
7 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
20812 |
134.6 |
-8.3 |
0.774 |
0 |
0 |
0 |
0.066 |
| 11 |
13 |
|
[MPD]A:1522 |
7 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
20922 |
130.0 |
-8.9 |
0.623 |
0 |
0 |
0 |
0.071 |
| 12 |
14 |
|
[MPD]B:1524 |
6 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
20812 |
126.5 |
-8.8 |
0.516 |
2 |
0 |
0 |
0.078 |
| 13 |
15 |
|
[MPD]A:1524 |
6 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
20922 |
120.5 |
-7.4 |
0.759 |
2 |
0 |
0 |
0.066 |
| 14 |
16 |
|
[ACT]A:1519 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
20922 |
104.9 |
-1.4 |
0.449 |
0 |
0 |
0 |
0.011 |
| 15 |
17 |
|
[ACT]B:1519 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
20812 |
104.9 |
-1.4 |
0.463 |
0 |
0 |
0 |
0.011 |
| 16 |
18 |
|
[MPD]B:1525 |
6 |
1 |
280 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
20812 |
99.8 |
-5.4 |
0.685 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[ACT]A:1520 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
20922 |
86.7 |
1.0 |
0.820 |
1 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[MRD]A:1521 |
5 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
20812 |
85.8 |
0.2 |
0.170 |
0 |
0 |
0 |
0.000 |
21 |
|
[MRD]B:1523 |
6 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
20922 |
84.0 |
0.3 |
0.118 |
0 |
0 |
0 |
0.000 |
| Average: |
84.9 |
0.3 |
0.144 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[ACT]B:1520 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
20812 |
85.4 |
0.9 |
0.828 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[MRD]A:1521 |
5 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20922 |
83.5 |
-0.5 |
0.198 |
2 |
0 |
0 |
0.021 |
24 |
|
[MRD]B:1523 |
4 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
20812 |
82.5 |
-0.4 |
0.209 |
2 |
0 |
0 |
0.021 |
| Average: |
83.0 |
-0.4 |
0.203 |
2 |
0 |
0 |
0.021 |
| 21 |
25 |
|
[NA]B:1526 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
20812 |
72.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.192 |
26 |
|
[NA]A:1525 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
20922 |
72.3 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.192 |
| Average: |
72.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.192 |
| 22 |
27 |
|
[MRD]B:1522 |
5 |
1 |
274 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
20922 |
72.1 |
-0.0 |
0.284 |
1 |
0 |
0 |
0.004 |
| 23 |
28 |
|
[MPD]A:1522 |
5 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
20812 |
70.9 |
-3.5 |
0.727 |
1 |
0 |
0 |
0.025 |
| 24 |
29 |
|
[ACT]B:1520 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20922 |
70.1 |
-0.5 |
0.642 |
1 |
0 |
0 |
0.007 |
| 25 |
30 |
|
[ACT]A:1520 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20812 |
70.1 |
-0.5 |
0.652 |
1 |
0 |
0 |
0.007 |
| 26 |
31 |
|
B |
7 |
3 |
20812 |
x |
B |
-y,x-y,z |
2_555 |
9 |
4 |
20812 |
66.9 |
1.5 |
0.848 |
1 |
0 |
0 |
0.000 |
| 27 |
32 |
|
B |
5 |
1 |
20812 |
x |
B |
-y+1,x-y+1,z |
2_665 |
5 |
2 |
20812 |
51.5 |
0.2 |
0.685 |
1 |
2 |
0 |
0.000 |
| 28 |
33 |
|
[ACT]A:1519 |
3 |
1 |
183 |
f |
[NAD]A:1518 |
x,y,z |
1_555 |
4 |
1 |
847 |
41.6 |
1.0 |
0.818 |
2 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[ACT]B:1519 |
3 |
1 |
182 |
f |
[NAD]B:1518 |
x,y,z |
1_555 |
3 |
1 |
845 |
41.6 |
1.0 |
0.822 |
2 |
0 |
0 |
0.000 |
| 30 |
35 |
|
[MPD]B:1521 |
3 |
1 |
279 |
◊ |
[MPD]A:1523 |
x,y,z |
1_555 |
3 |
1 |
277 |
35.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.021 |
| 31 |
36 |
|
[MPD]B:1521 |
2 |
1 |
279 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20922 |
7.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 32 |
37 |
|
[MPD]A:1523 |
2 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20812 |
2.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|