## |
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 |
40 |
8 |
2137 |
◊ |
A |
x,y,z |
1_555 |
40 |
8 |
2140 |
370.8 |
-6.3 |
0.425 |
22 |
0 |
0 |
0.709 |
2 |
2 |
|
A |
17 |
3 |
2140 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
12 |
2 |
2137 |
117.4 |
2.5 |
0.758 |
0 |
0 |
0 |
0.000 |
3 |
|
A |
12 |
2 |
2140 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
16 |
3 |
2137 |
115.7 |
2.4 |
0.753 |
0 |
0 |
0 |
0.000 |
Average: |
116.5 |
2.4 |
0.756 |
0 |
0 |
0 |
0.000 |
3 |
4 |
|
[UAR]A:6 |
12 |
1 |
437 |
cf |
A |
x,y,z |
1_555 |
14 |
1 |
2140 |
111.5 |
1.6 |
0.674 |
0 |
0 |
0 |
0.000 |
5 |
|
[UAR]B:16 |
12 |
1 |
435 |
cf |
B |
x,y,z |
1_555 |
14 |
1 |
2137 |
110.8 |
1.5 |
0.674 |
0 |
0 |
0 |
0.000 |
Average: |
111.2 |
1.6 |
0.674 |
0 |
0 |
0 |
0.000 |
4 |
6 |
|
[A2M]A:5 |
16 |
1 |
487 |
cf |
A |
x,y,z |
1_555 |
14 |
1 |
2140 |
109.1 |
1.2 |
0.596 |
1 |
0 |
0 |
0.000 |
7 |
|
[A2M]B:15 |
16 |
1 |
489 |
cf |
B |
x,y,z |
1_555 |
14 |
1 |
2137 |
107.5 |
1.2 |
0.597 |
1 |
0 |
0 |
0.000 |
Average: |
108.3 |
1.2 |
0.596 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
[UAR]A:6 |
12 |
1 |
437 |
cf |
[A2M]A:5 |
x,y,z |
1_555 |
17 |
1 |
487 |
108.6 |
1.4 |
0.575 |
1 |
0 |
0 |
0.000 |
9 |
|
[UAR]B:16 |
12 |
1 |
435 |
cf |
[A2M]B:15 |
x,y,z |
1_555 |
18 |
1 |
489 |
108.3 |
1.4 |
0.584 |
1 |
0 |
0 |
0.000 |
Average: |
108.5 |
1.4 |
0.579 |
1 |
0 |
0 |
0.000 |
6 |
10 |
|
[NCO]B:2212 |
4 |
1 |
269 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
2137 |
92.4 |
-1.5 |
0.279 |
6 |
0 |
0 |
0.186 |
7 |
11 |
|
[NCO]A:2213 |
4 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
2140 |
92.3 |
-1.3 |
0.344 |
6 |
0 |
0 |
1.000 |
8 |
12 |
|
B |
7 |
2 |
2137 |
x |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
15 |
1 |
2137 |
84.3 |
1.8 |
0.694 |
1 |
0 |
0 |
0.000 |
13 |
|
A |
15 |
1 |
2140 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
8 |
2 |
2140 |
83.6 |
1.7 |
0.696 |
1 |
0 |
0 |
0.000 |
Average: |
83.9 |
1.7 |
0.695 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
B |
9 |
1 |
2137 |
◊ |
[A2M]A:5 |
-x+2,y-1/2,-z+1/2 |
3_745 |
7 |
1 |
487 |
72.3 |
1.1 |
0.572 |
0 |
0 |
0 |
0.000 |
15 |
|
[A2M]B:15 |
7 |
1 |
489 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
9 |
1 |
2140 |
72.0 |
1.1 |
0.574 |
0 |
0 |
0 |
0.000 |
Average: |
72.1 |
1.1 |
0.573 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[NCO]A:2211 |
5 |
1 |
269 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
2140 |
71.0 |
-1.7 |
0.220 |
5 |
0 |
0 |
0.174 |
11 |
17 |
|
[NCO]A:2211 |
5 |
1 |
269 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
2137 |
70.3 |
-2.7 |
0.066 |
5 |
0 |
0 |
0.218 |
12 |
18 |
|
[NCO]A:2213 |
5 |
1 |
269 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
2137 |
62.0 |
0.1 |
0.123 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[NCO]B:2212 |
5 |
1 |
269 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
2140 |
61.9 |
-0.0 |
0.121 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
B |
10 |
1 |
2137 |
◊ |
[UAR]A:6 |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
1 |
437 |
60.9 |
0.7 |
0.599 |
0 |
0 |
0 |
0.000 |
21 |
|
[UAR]B:16 |
5 |
1 |
435 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
10 |
1 |
2140 |
60.8 |
0.7 |
0.588 |
0 |
0 |
0 |
0.000 |
Average: |
60.8 |
0.7 |
0.594 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[A2M]B:15 |
9 |
1 |
489 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
9 |
1 |
2137 |
59.6 |
1.2 |
0.612 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
9 |
1 |
2140 |
◊ |
[A2M]A:5 |
-x+2,y-1/2,-z+1/2 |
3_745 |
8 |
1 |
487 |
59.5 |
1.2 |
0.621 |
1 |
0 |
0 |
0.000 |
Average: |
59.6 |
1.2 |
0.616 |
1 |
0 |
0 |
0.000 |
16 |
24 |
|
[NCO]A:2211 |
4 |
1 |
269 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
7 |
2 |
2137 |
57.6 |
-0.1 |
0.168 |
3 |
0 |
0 |
0.000 |
17 |
25 |
|
A |
7 |
2 |
2140 |
◊ |
[NCO]A:2211 |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
1 |
269 |
56.7 |
-0.2 |
0.167 |
3 |
0 |
0 |
0.000 |
18 |
26 |
|
[UAR]A:6 |
5 |
1 |
437 |
◊ |
[A2M]B:15 |
x,y,z |
1_555 |
4 |
1 |
489 |
48.0 |
0.8 |
0.592 |
1 |
0 |
0 |
0.000 |
27 |
|
[UAR]B:16 |
5 |
1 |
435 |
◊ |
[A2M]A:5 |
x,y,z |
1_555 |
4 |
1 |
487 |
47.9 |
0.8 |
0.595 |
1 |
0 |
0 |
0.000 |
Average: |
48.0 |
0.8 |
0.593 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[A2M]B:15 |
7 |
1 |
489 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
2140 |
47.4 |
2.1 |
0.703 |
0 |
0 |
0 |
0.000 |
29 |
|
[A2M]A:5 |
7 |
1 |
487 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
2137 |
46.8 |
2.0 |
0.697 |
0 |
0 |
0 |
0.000 |
Average: |
47.1 |
2.0 |
0.700 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
[NCO]A:2213 |
3 |
1 |
269 |
◊ |
[UAR]B:16 |
x,y,z |
1_555 |
3 |
1 |
435 |
28.1 |
0.0 |
0.243 |
1 |
0 |
0 |
0.019 |
21 |
31 |
|
[NCO]B:2212 |
3 |
1 |
269 |
◊ |
[UAR]A:6 |
x,y,z |
1_555 |
3 |
1 |
437 |
27.5 |
-0.2 |
0.243 |
1 |
0 |
0 |
0.030 |
22 |
32 |
|
[NCO]B:2212 |
3 |
1 |
269 |
◊ |
[CL]A:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.058 |
23 |
33 |
|
[NCO]A:2213 |
3 |
1 |
269 |
◊ |
[CL]A:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.064 |
24 |
34 |
|
[A2M]B:15 |
3 |
1 |
489 |
◊ |
[A2M]A:5 |
x,y,z |
1_555 |
3 |
1 |
487 |
23.2 |
0.9 |
0.589 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[CL]A:101 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
2137 |
22.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.111 |
36 |
|
[CL]A:101 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
2140 |
22.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
22.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.111 |
26 |
37 |
|
[CL]A:101 |
1 |
1 |
125 |
◊ |
[A2M]A:5 |
x,y,z |
1_555 |
2 |
1 |
487 |
19.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.049 |
38 |
|
[CL]A:101 |
1 |
1 |
125 |
◊ |
[A2M]B:15 |
x,y,z |
1_555 |
2 |
1 |
489 |
19.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
19.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.049 |
27 |
39 |
|
[NCO]B:2212 |
2 |
1 |
269 |
◊ |
[NCO]A:2213 |
x,y,z |
1_555 |
2 |
1 |
269 |
18.7 |
0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
28 |
40 |
|
[NCO]A:2213 |
3 |
1 |
269 |
◊ |
[A2M]B:15 |
x,y,z |
1_555 |
3 |
1 |
489 |
17.8 |
0.1 |
0.232 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
[NCO]B:2212 |
3 |
1 |
269 |
◊ |
[A2M]A:5 |
x,y,z |
1_555 |
3 |
1 |
487 |
17.1 |
0.2 |
0.239 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
[UAR]B:16 |
3 |
1 |
435 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
2140 |
16.3 |
-1.0 |
0.391 |
0 |
0 |
0 |
0.084 |
43 |
|
[UAR]A:6 |
3 |
1 |
437 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
2137 |
15.4 |
-0.9 |
0.391 |
0 |
0 |
0 |
0.084 |
Average: |
15.9 |
-1.0 |
0.391 |
0 |
0 |
0 |
0.084 |
31 |
44 |
|
[CL]A:101 |
1 |
1 |
125 |
◊ |
[UAR]B:16 |
x,y,z |
1_555 |
1 |
1 |
435 |
14.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.077 |
45 |
|
[CL]A:101 |
1 |
1 |
125 |
◊ |
[UAR]A:6 |
x,y,z |
1_555 |
1 |
1 |
437 |
13.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
14.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.077 |
32 |
46 |
|
[NCO]B:2212 |
3 |
1 |
269 |
f |
[A2M]B:15 |
x,y,z |
1_555 |
1 |
1 |
489 |
14.3 |
0.3 |
0.860 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[NCO]A:2213 |
3 |
1 |
269 |
f |
[A2M]A:5 |
x,y,z |
1_555 |
2 |
1 |
487 |
14.3 |
0.4 |
0.253 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
B |
1 |
1 |
2137 |
x |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
2137 |
7.3 |
-0.4 |
0.261 |
0 |
0 |
0 |
0.000 |
49 |
|
A |
2 |
1 |
2140 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
2140 |
7.1 |
-0.3 |
0.274 |
0 |
0 |
0 |
0.000 |
Average: |
7.2 |
-0.4 |
0.267 |
0 |
0 |
0 |
0.000 |
35 |
50 |
|
B |
2 |
2 |
2137 |
◊ |
A |
-x+3/2,-y+2,z-1/2 |
2_674 |
2 |
2 |
2140 |
7.3 |
-0.8 |
0.304 |
0 |
0 |
0 |
0.000 |
36 |
51 |
|
[UAR]B:16 |
1 |
1 |
435 |
◊ |
[UAR]A:6 |
x,y,z |
1_555 |
1 |
1 |
437 |
3.4 |
-0.2 |
0.333 |
0 |
0 |
0 |
0.007 |
37 |
52 |
|
B |
2 |
1 |
2137 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
2140 |
3.4 |
0.1 |
0.442 |
0 |
0 |
0 |
0.000 |
53 |
|
B |
1 |
1 |
2137 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
2 |
1 |
2140 |
2.6 |
0.0 |
0.429 |
0 |
0 |
0 |
0.000 |
Average: |
3.0 |
0.1 |
0.435 |
0 |
0 |
0 |
0.000 |
38 |
54 |
|
[NCO]B:2212 |
1 |
1 |
269 |
f |
[NCO]A:2211 |
x,y,z |
1_555 |
1 |
1 |
269 |
1.5 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
|