| ## |
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 |
177 |
52 |
18137 |
◊ |
A |
x,y,z |
1_555 |
175 |
49 |
18287 |
1593.8 |
-16.5 |
0.094 |
5 |
0 |
0 |
0.023 |
| 2 |
2 |
|
A |
74 |
24 |
18287 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
86 |
22 |
18287 |
763.0 |
-3.7 |
0.457 |
0 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
78 |
23 |
18137 |
◊ |
A |
-x,-y+1/2,z-1/2 |
4_554 |
75 |
20 |
18287 |
655.3 |
-1.8 |
0.604 |
2 |
1 |
0 |
0.000 |
| 4 |
4 |
|
[NAD]B:501 |
42 |
1 |
850 |
f |
B |
x,y,z |
1_555 |
92 |
38 |
18137 |
618.5 |
-8.5 |
0.335 |
8 |
0 |
0 |
0.053 |
5 |
|
[NAD]A:501 |
43 |
1 |
851 |
f |
A |
x,y,z |
1_555 |
94 |
39 |
18287 |
615.0 |
-8.3 |
0.344 |
8 |
0 |
0 |
0.053 |
| Average: |
616.8 |
-8.4 |
0.339 |
8 |
0 |
0 |
0.053 |
| 5 |
6 |
|
B |
43 |
16 |
18137 |
◊ |
A |
-x+1,-y+1/2,z-1/2 |
4_654 |
34 |
11 |
18287 |
319.8 |
-1.0 |
0.558 |
2 |
2 |
0 |
0.000 |
| 6 |
7 |
|
B |
34 |
12 |
18137 |
x |
B |
x-1,y,z |
1_455 |
33 |
12 |
18137 |
277.7 |
1.3 |
0.759 |
0 |
6 |
0 |
0.000 |
| 7 |
8 |
|
A |
34 |
9 |
18287 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
13 |
18137 |
247.8 |
-0.4 |
0.592 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[1PS]B:509 |
13 |
1 |
356 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
18137 |
188.6 |
5.2 |
0.127 |
0 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[AG2]B:511 |
9 |
1 |
317 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
18137 |
171.7 |
1.3 |
0.563 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[1PS]B:507 |
13 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
18137 |
170.8 |
4.8 |
0.059 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[1PS]A:508 |
13 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
18287 |
168.3 |
4.3 |
0.054 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[AG2]A:509 |
9 |
1 |
316 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
18287 |
153.4 |
0.4 |
0.482 |
2 |
0 |
0 |
0.000 |
| 13 |
14 |
|
A |
18 |
7 |
18287 |
◊ |
[AG2]B:510 |
x-1,y,z |
1_455 |
9 |
1 |
325 |
125.7 |
0.9 |
0.470 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
A |
15 |
6 |
18287 |
◊ |
[1PS]B:506 |
x-1,y,z |
1_455 |
11 |
1 |
359 |
123.4 |
2.5 |
0.033 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[1PS]B:506 |
12 |
1 |
359 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
18137 |
120.4 |
3.9 |
0.035 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[ACT]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
18287 |
118.2 |
-1.5 |
0.509 |
0 |
0 |
0 |
0.003 |
| 17 |
18 |
|
[ACT]B:508 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
18137 |
115.4 |
-1.5 |
0.498 |
0 |
0 |
0 |
0.007 |
| 18 |
19 |
|
[AG2]B:510 |
8 |
1 |
325 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
18137 |
113.4 |
0.4 |
0.536 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[ACT]B:512 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
18137 |
105.2 |
-0.8 |
0.589 |
1 |
0 |
0 |
0.005 |
| 20 |
21 |
|
[ACT]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
18137 |
98.2 |
-0.6 |
0.611 |
1 |
0 |
0 |
0.005 |
| 21 |
22 |
|
[ACT]A:503 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
18287 |
92.8 |
-0.1 |
0.665 |
1 |
0 |
0 |
0.001 |
| 22 |
23 |
|
A |
11 |
4 |
18287 |
x |
A |
x-1,y,z |
1_455 |
10 |
3 |
18287 |
91.1 |
-0.1 |
0.598 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[SO4]A:507 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
18287 |
90.8 |
-13.7 |
0.823 |
4 |
0 |
0 |
0.033 |
| 24 |
25 |
|
[SO4]B:505 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
18137 |
89.9 |
-13.4 |
0.862 |
5 |
0 |
0 |
0.069 |
| 25 |
26 |
|
[SO4]A:505 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
18287 |
79.4 |
-10.5 |
0.889 |
3 |
0 |
0 |
0.025 |
| 26 |
27 |
|
[SO4]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
18287 |
65.0 |
-8.7 |
0.878 |
2 |
0 |
0 |
0.020 |
| 27 |
28 |
|
B |
8 |
3 |
18137 |
◊ |
[SO4]A:506 |
-x,-y+1/2,z-1/2 |
4_554 |
5 |
1 |
184 |
63.2 |
-9.1 |
0.561 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[ACT]B:503 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18287 |
57.9 |
-0.4 |
0.501 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[ACT]A:504 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
18137 |
50.2 |
-0.3 |
0.504 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
[ACT]B:502 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
18137 |
46.2 |
0.9 |
0.866 |
2 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[1PS]B:507 |
6 |
1 |
364 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
18137 |
44.3 |
2.1 |
0.081 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[ACT]A:504 |
1 |
1 |
183 |
f |
B |
x-1,y,z |
1_455 |
5 |
4 |
18137 |
42.9 |
-0.9 |
0.370 |
0 |
0 |
0 |
0.004 |
| 33 |
34 |
|
[1PS]B:506 |
4 |
1 |
359 |
◊ |
[ACT]B:502 |
x,y,z |
1_555 |
4 |
1 |
183 |
41.9 |
1.2 |
0.236 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[AG2]B:511 |
4 |
1 |
317 |
f |
A |
-x,-y+1/2,z-1/2 |
4_554 |
5 |
1 |
18287 |
41.5 |
-0.1 |
0.458 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[ACT]B:503 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18137 |
40.5 |
1.3 |
0.918 |
1 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[ACT]A:504 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
18287 |
38.1 |
1.2 |
0.914 |
1 |
0 |
0 |
0.000 |
| 37 |
38 |
|
A |
3 |
1 |
18287 |
◊ |
[ACT]B:504 |
x-1,y,z |
1_455 |
2 |
1 |
184 |
23.8 |
0.2 |
0.617 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
[AG2]B:510 |
2 |
1 |
325 |
f |
[ACT]B:504 |
x,y,z |
1_555 |
3 |
1 |
184 |
20.8 |
-0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[1PS]B:509 |
2 |
1 |
356 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
18287 |
20.6 |
0.3 |
0.160 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[AG2]B:510 |
2 |
1 |
325 |
f |
[1PS]B:506 |
x,y,z |
1_555 |
2 |
1 |
359 |
18.0 |
0.7 |
0.202 |
0 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[1PS]A:508 |
1 |
1 |
365 |
f |
[NAD]A:501 |
x,y,z |
1_555 |
1 |
1 |
851 |
2.4 |
-0.1 |
0.254 |
0 |
0 |
0 |
0.000 |
| 42 |
43 |
|
A |
1 |
1 |
18287 |
f |
[ACT]B:502 |
x-1,y,z |
1_455 |
1 |
1 |
183 |
1.6 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
| 43 |
44 |
|
[1PS]B:507 |
1 |
1 |
364 |
f |
[NAD]B:501 |
x,y,z |
1_555 |
1 |
1 |
850 |
1.5 |
-0.0 |
0.271 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
B |
2 |
2 |
18137 |
◊ |
B |
x,-y,-z |
2_555 |
2 |
2 |
18137 |
1.0 |
0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
|