| ## |
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 |
293 |
72 |
16653 |
◊ |
A |
x,y,z |
1_555 |
292 |
73 |
16759 |
3019.8 |
-42.9 |
0.018 |
40 |
12 |
0 |
0.421 |
| 2 |
2 |
|
B |
34 |
13 |
16653 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
34 |
14 |
16759 |
324.4 |
1.5 |
0.843 |
6 |
1 |
0 |
0.000 |
3 |
|
B |
35 |
16 |
16653 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
38 |
14 |
16759 |
279.3 |
-0.8 |
0.687 |
5 |
1 |
0 |
0.000 |
| Average: |
301.8 |
0.3 |
0.765 |
6 |
1 |
0 |
0.000 |
| 3 |
4 |
|
[SUF]B:4001 |
13 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
44 |
21 |
16653 |
237.6 |
4.5 |
0.697 |
8 |
0 |
0 |
0.000 |
5 |
|
[SUF]A:3001 |
13 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
42 |
20 |
16759 |
230.4 |
4.1 |
0.690 |
7 |
0 |
0 |
0.000 |
| Average: |
234.0 |
4.3 |
0.693 |
8 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
29 |
9 |
16653 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
29 |
9 |
16653 |
225.9 |
-3.6 |
0.319 |
0 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[MPD]A:7001 |
7 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
16759 |
159.3 |
-9.6 |
0.761 |
2 |
0 |
0 |
0.071 |
| 6 |
8 |
|
[ACT]A:8003 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
16759 |
113.6 |
1.0 |
0.735 |
5 |
0 |
0 |
0.008 |
| 7 |
9 |
|
[ACT]B:8002 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
16653 |
112.3 |
-0.2 |
0.678 |
2 |
0 |
0 |
0.007 |
| 8 |
10 |
|
[ACT]B:8001 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
13 |
16653 |
112.2 |
-0.6 |
0.509 |
3 |
0 |
0 |
0.013 |
| 9 |
11 |
|
[ACT]A:8004 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
16759 |
108.5 |
1.6 |
0.756 |
4 |
0 |
0 |
0.001 |
| 10 |
12 |
|
[BME]A:9001 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
16759 |
98.7 |
-2.4 |
0.255 |
2 |
0 |
0 |
0.022 |
| 11 |
13 |
|
[BME]B:9002 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
16653 |
90.8 |
-2.6 |
0.252 |
2 |
0 |
0 |
0.024 |
| 12 |
14 |
|
[BME]B:9003 |
4 |
1 |
207 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
9 |
4 |
16653 |
70.8 |
-0.7 |
0.432 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[MPD]A:7001 |
3 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
16653 |
55.6 |
-3.5 |
0.637 |
0 |
0 |
0 |
0.023 |
| 14 |
16 |
|
[BME]B:9003 |
3 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
16653 |
51.1 |
-2.6 |
0.100 |
0 |
0 |
0 |
0.018 |
| 15 |
17 |
|
[MG]B:4003 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
16653 |
42.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.067 |
18 |
|
[MG]A:3003 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16759 |
41.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
42.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.067 |
| 16 |
19 |
|
[MG]B:4004 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
16653 |
39.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.073 |
20 |
|
[MG]A:3004 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16759 |
38.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
39.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.073 |
| 17 |
21 |
|
[ACT]B:8002 |
4 |
1 |
187 |
f |
[ACT]B:8001 |
x,y,z |
1_555 |
4 |
1 |
187 |
39.4 |
-0.4 |
0.594 |
0 |
0 |
0 |
0.003 |
| 18 |
22 |
|
B |
4 |
1 |
16653 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
7 |
2 |
16759 |
38.4 |
-0.4 |
0.498 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[ACT]A:8004 |
4 |
1 |
187 |
f |
[ACT]A:8003 |
x,y,z |
1_555 |
4 |
1 |
188 |
34.9 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[MG]B:4002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
16653 |
32.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.058 |
25 |
|
[MG]A:3002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
16759 |
32.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.058 |
| Average: |
32.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.058 |
| 21 |
26 |
|
[SUF]B:4001 |
3 |
1 |
363 |
f |
[MG]B:4003 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.057 |
27 |
|
[SUF]A:3001 |
3 |
1 |
365 |
f |
[MG]A:3003 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
32.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.057 |
| 22 |
28 |
|
[SUF]B:4001 |
5 |
1 |
363 |
f |
[MG]B:4002 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.055 |
29 |
|
[SUF]A:3001 |
4 |
1 |
365 |
f |
[MG]A:3002 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
29.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.055 |
| 23 |
30 |
|
[SUF]B:4001 |
4 |
1 |
363 |
f |
[MG]B:4004 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.034 |
31 |
|
[SUF]A:3001 |
4 |
1 |
365 |
f |
[MG]A:3004 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
25.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.034 |
| 24 |
32 |
|
[SUF]A:3001 |
6 |
1 |
365 |
f |
[ACT]A:8004 |
x,y,z |
1_555 |
1 |
1 |
187 |
24.9 |
-0.1 |
0.294 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[BME]B:9003 |
1 |
1 |
207 |
◊ |
[BME]B:9003 |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
207 |
23.7 |
-1.9 |
0.250 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
A |
3 |
1 |
16759 |
◊ |
A |
-x,y,-z |
2_555 |
3 |
1 |
16759 |
15.2 |
0.4 |
0.783 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[MG]A:3004 |
1 |
1 |
98 |
f |
[MG]A:3002 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.019 |
| 28 |
36 |
|
[MG]B:4004 |
1 |
1 |
98 |
f |
[MG]B:4002 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.019 |
| 29 |
37 |
|
[BME]B:9002 |
2 |
1 |
207 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16759 |
12.9 |
-0.4 |
0.412 |
0 |
0 |
0 |
0.003 |
| 30 |
38 |
|
[BME]A:9001 |
2 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
16653 |
12.0 |
-0.6 |
0.409 |
0 |
0 |
0 |
0.004 |
| 31 |
39 |
|
[SUF]B:4001 |
1 |
1 |
363 |
f |
[ACT]B:8001 |
x,y,z |
1_555 |
2 |
1 |
187 |
7.2 |
0.1 |
0.480 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[MPD]A:7001 |
1 |
1 |
279 |
f |
[BME]A:9001 |
x,y,z |
1_555 |
1 |
1 |
206 |
4.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
| 33 |
41 |
|
[MG]A:3003 |
1 |
1 |
98 |
f |
[MG]A:3002 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
| 34 |
42 |
|
[MG]B:4003 |
1 |
1 |
98 |
f |
[MG]B:4002 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
| 35 |
43 |
|
A |
1 |
1 |
16759 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
16759 |
1.6 |
-0.1 |
0.485 |
0 |
0 |
0 |
0.000 |
|