## |
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 |
133 |
34 |
12850 |
◊ |
A |
x,y,z |
1_555 |
133 |
34 |
13203 |
1246.7 |
-15.1 |
0.171 |
9 |
2 |
0 |
0.192 |
2 |
2 |
|
A |
36 |
13 |
13203 |
◊ |
A |
-x,-y,z |
2_555 |
36 |
13 |
13203 |
391.7 |
0.4 |
0.776 |
4 |
4 |
0 |
0.000 |
3 |
3 |
|
A |
28 |
7 |
13203 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
36 |
16 |
13203 |
297.6 |
-1.6 |
0.537 |
2 |
3 |
0 |
0.000 |
4 |
4 |
|
B |
22 |
9 |
12850 |
◊ |
B |
-x,-y+1,z |
2_565 |
22 |
9 |
12850 |
239.9 |
1.4 |
0.838 |
0 |
2 |
0 |
0.000 |
5 |
5 |
|
B |
26 |
7 |
12850 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
29 |
10 |
13203 |
237.6 |
1.3 |
0.846 |
2 |
2 |
0 |
0.000 |
6 |
6 |
|
B |
25 |
11 |
12850 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
22 |
8 |
13203 |
220.1 |
-1.8 |
0.430 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
22 |
8 |
13203 |
◊ |
B |
-x+1/2,y-1/2,-z |
3_545 |
24 |
5 |
12850 |
200.8 |
-0.7 |
0.484 |
1 |
3 |
0 |
0.000 |
8 |
|
A |
27 |
7 |
13203 |
◊ |
B |
-x+1/2,y-1/2,-z-1 |
3_544 |
21 |
8 |
12850 |
189.6 |
-0.5 |
0.546 |
1 |
0 |
0 |
0.000 |
Average: |
195.2 |
-0.6 |
0.515 |
1 |
2 |
0 |
0.000 |
8 |
9 |
|
A |
24 |
7 |
13203 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
23 |
11 |
12850 |
200.5 |
2.2 |
0.889 |
4 |
2 |
0 |
0.000 |
9 |
10 |
|
[TRS]A:403 |
7 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
37 |
15 |
13203 |
147.6 |
3.9 |
0.542 |
8 |
0 |
0 |
0.000 |
11 |
|
[TRS]B:410 |
7 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
35 |
15 |
12850 |
147.5 |
3.9 |
0.555 |
8 |
0 |
0 |
0.000 |
Average: |
147.6 |
3.9 |
0.549 |
8 |
0 |
0 |
0.000 |
10 |
12 |
|
B |
17 |
6 |
12850 |
x |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
16 |
8 |
12850 |
128.4 |
-0.2 |
0.600 |
1 |
1 |
0 |
0.000 |
11 |
13 |
|
A |
13 |
7 |
13203 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
10 |
6 |
12850 |
99.4 |
0.1 |
0.579 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
B |
10 |
3 |
12850 |
◊ |
A |
x,y,z-1 |
1_554 |
13 |
5 |
13203 |
96.9 |
-1.8 |
0.296 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[TRS]B:403 |
7 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
14 |
3 |
12850 |
80.2 |
1.5 |
0.810 |
3 |
0 |
0 |
0.000 |
14 |
16 |
|
[TRS]B:401 |
6 |
1 |
251 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
12850 |
76.6 |
2.0 |
0.886 |
3 |
0 |
0 |
0.000 |
15 |
17 |
|
[TRS]B:401 |
5 |
1 |
251 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
13203 |
69.9 |
0.8 |
0.119 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[TRS]B:402 |
6 |
1 |
256 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
9 |
3 |
13203 |
69.4 |
1.8 |
0.877 |
3 |
0 |
0 |
0.000 |
17 |
19 |
|
[TRS]B:402 |
6 |
1 |
256 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
9 |
3 |
12850 |
66.5 |
1.0 |
0.647 |
2 |
0 |
0 |
0.000 |
18 |
20 |
|
A |
7 |
4 |
13203 |
◊ |
[TRS]B:401 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
251 |
66.3 |
1.1 |
0.802 |
1 |
0 |
0 |
0.000 |
19 |
21 |
|
[TRS]B:403 |
5 |
1 |
252 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
9 |
3 |
13203 |
61.6 |
0.7 |
0.711 |
2 |
0 |
0 |
0.000 |
20 |
22 |
|
[TRS]B:402 |
5 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
12850 |
55.9 |
0.7 |
0.769 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[NI]B:409 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
12850 |
46.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.116 |
24 |
|
[NI]A:402 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
13203 |
46.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.116 |
Average: |
46.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.116 |
22 |
25 |
|
[NI]B:407 |
1 |
1 |
115 |
f |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
4 |
13203 |
46.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.054 |
23 |
26 |
|
[NI]A:405 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
13203 |
45.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.100 |
27 |
|
[NI]B:406 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
12850 |
43.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
44.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.100 |
24 |
28 |
|
[NI]B:407 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12850 |
44.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[NI]A:406 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13203 |
43.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
43.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[NI]A:404 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13203 |
41.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.076 |
26 |
31 |
|
[NI]A:404 |
1 |
1 |
115 |
◊ |
A |
-x,-y,z |
2_555 |
7 |
3 |
13203 |
40.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[TRS]B:410 |
3 |
1 |
255 |
f |
[NI]B:409 |
x,y,z |
1_555 |
1 |
1 |
115 |
36.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.131 |
33 |
|
[TRS]A:403 |
3 |
1 |
254 |
f |
[NI]A:402 |
x,y,z |
1_555 |
1 |
1 |
115 |
36.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.131 |
34 |
|
[TRS]B:401 |
3 |
1 |
251 |
f |
[NI]B:405 |
x,y,z |
1_555 |
1 |
1 |
115 |
36.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
36.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.131 |
28 |
35 |
|
[TRS]B:403 |
5 |
1 |
252 |
f |
[TRS]B:402 |
x,y,z |
1_555 |
5 |
1 |
256 |
36.5 |
1.2 |
1.000 |
3 |
0 |
0 |
0.001 |
29 |
36 |
|
[NI]B:405 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
12850 |
32.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.050 |
37 |
|
[NI]B:404 |
1 |
1 |
115 |
cf |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
5 |
2 |
13203 |
28.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
30.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.050 |
30 |
38 |
|
[TRS]B:403 |
2 |
1 |
252 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
3 |
2 |
12850 |
32.1 |
0.2 |
0.201 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[CA]B:408 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
12850 |
31.7 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.170 |
40 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
13203 |
31.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.170 |
Average: |
31.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.170 |
32 |
41 |
|
A |
6 |
3 |
13203 |
◊ |
[NI]B:405 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
115 |
31.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[NI]B:404 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12850 |
22.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
26.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[TRS]B:402 |
3 |
1 |
256 |
◊ |
[NI]B:404 |
x,y,z |
1_555 |
1 |
1 |
115 |
28.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[TRS]B:403 |
3 |
1 |
252 |
c |
[NI]B:404 |
x,y,z |
1_555 |
1 |
1 |
115 |
28.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[NI]A:406 |
1 |
1 |
115 |
f |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
4 |
1 |
12850 |
28.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.034 |
36 |
46 |
|
[TRS]A:403 |
2 |
1 |
254 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
15.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.042 |
47 |
|
[TRS]B:410 |
2 |
1 |
255 |
f |
[CA]B:408 |
x,y,z |
1_555 |
1 |
1 |
85 |
15.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.042 |
Average: |
15.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.042 |
37 |
48 |
|
[NI]B:409 |
1 |
1 |
115 |
f |
[CA]B:408 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.028 |
38 |
49 |
|
[NI]B:406 |
1 |
1 |
115 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
3 |
2 |
13203 |
10.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[NI]A:405 |
1 |
1 |
115 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
12850 |
8.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
9.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
51 |
|
[NI]A:402 |
1 |
1 |
115 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.027 |
40 |
52 |
|
[NI]B:405 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13203 |
5.6 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
53 |
|
[NI]B:404 |
1 |
1 |
115 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
12850 |
2.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
4.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
|