## |
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 |
468 |
118 |
20466 |
◊ |
A |
x,y,z |
1_555 |
445 |
116 |
20092 |
4650.1 |
-92.7 |
0.520 |
31 |
5 |
1 |
0.337 |
2 |
2 |
|
[Q6F]B:904 |
23 |
1 |
564 |
f |
B |
x,y,z |
1_555 |
67 |
25 |
20466 |
417.8 |
-14.3 |
0.669 |
2 |
0 |
0 |
0.068 |
3 |
3 |
|
[Q6F]A:406 |
23 |
1 |
562 |
f |
A |
x,y,z |
1_555 |
68 |
22 |
20092 |
412.6 |
-15.6 |
0.658 |
2 |
0 |
0 |
0.074 |
4 |
4 |
|
A |
24 |
8 |
20092 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
20 |
5 |
20092 |
211.6 |
-3.8 |
0.484 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
29 |
9 |
20092 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
19 |
9 |
20466 |
189.9 |
-0.4 |
0.905 |
1 |
1 |
0 |
0.000 |
6 |
6 |
|
B |
22 |
5 |
20466 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
18 |
5 |
20092 |
174.0 |
-2.6 |
0.698 |
0 |
2 |
0 |
0.013 |
7 |
7 |
|
B |
14 |
6 |
20466 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
16 |
6 |
20466 |
163.9 |
-2.5 |
0.618 |
0 |
1 |
0 |
0.000 |
8 |
8 |
|
[D12]A:404 |
10 |
1 |
425 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
20092 |
147.0 |
0.6 |
0.137 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[R2R]A:401 |
12 |
1 |
451 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
20466 |
144.4 |
1.0 |
0.082 |
4 |
0 |
0 |
0.000 |
10 |
10 |
|
[R2R]A:401 |
9 |
1 |
451 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
20092 |
139.6 |
1.8 |
0.251 |
5 |
0 |
0 |
0.000 |
11 |
11 |
|
[D12]A:403 |
10 |
1 |
415 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
20092 |
133.8 |
0.9 |
0.154 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
A |
19 |
4 |
20092 |
x |
A |
x-1,y,z |
1_455 |
12 |
3 |
20092 |
131.4 |
-0.8 |
0.780 |
2 |
1 |
0 |
0.000 |
13 |
13 |
|
[D12]B:903 |
10 |
1 |
403 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
20466 |
130.6 |
1.5 |
0.199 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[D12]A:405 |
10 |
1 |
430 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
20092 |
130.1 |
0.2 |
0.100 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[HEX]B:901 |
6 |
1 |
269 |
◊ |
B |
x,y,z |
1_555 |
13 |
9 |
20466 |
113.4 |
1.4 |
0.419 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[D12]A:404 |
7 |
1 |
425 |
f |
[D12]A:403 |
x,y,z |
1_555 |
11 |
1 |
415 |
89.8 |
3.7 |
0.033 |
0 |
0 |
0 |
0.000 |
17 |
17 |
|
[K]A:409 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20092 |
67.7 |
-42.7 |
0.000 |
0 |
0 |
0 |
0.192 |
18 |
18 |
|
[K]A:410 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
20466 |
61.8 |
-39.2 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
|
[K]A:410 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
7 |
20092 |
61.7 |
-38.7 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
|
[K]A:407 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
14 |
9 |
20092 |
52.2 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
|
[K]A:408 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
20466 |
51.5 |
-33.5 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
|
[K]A:408 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
20092 |
51.2 |
-33.9 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[K]A:407 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
9 |
20466 |
51.1 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
54.9 |
-35.4 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[D12]A:405 |
6 |
1 |
430 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
20466 |
60.6 |
0.5 |
0.189 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[K]B:905 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
20466 |
55.3 |
-36.0 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[K]B:905 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
20092 |
53.9 |
-35.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
54.6 |
-35.6 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[D12]A:404 |
7 |
1 |
425 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
20466 |
52.2 |
0.8 |
0.158 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
B |
8 |
3 |
20466 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
20092 |
51.9 |
-0.9 |
0.608 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[HEX]B:901 |
4 |
1 |
269 |
f |
[D12]A:405 |
x,y,z |
1_555 |
7 |
1 |
430 |
51.4 |
3.3 |
0.240 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[CD]B:902 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
20466 |
42.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.058 |
31 |
|
[CD]A:402 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
20092 |
40.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.058 |
32 |
|
[CD]B:902 |
1 |
1 |
112 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
3 |
20092 |
39.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
40.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.058 |
25 |
33 |
|
[K]A:410 |
1 |
1 |
216 |
f |
[K]A:407 |
x,y,z |
1_555 |
1 |
1 |
216 |
35.9 |
-35.9 |
0.000 |
0 |
0 |
0 |
0.162 |
26 |
34 |
|
[K]A:408 |
1 |
1 |
216 |
f |
[K]A:407 |
x,y,z |
1_555 |
1 |
1 |
216 |
35.1 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.158 |
27 |
35 |
|
[R2R]A:401 |
3 |
1 |
451 |
f |
B |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
20466 |
34.4 |
-0.2 |
0.246 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[K]B:905 |
1 |
1 |
216 |
f |
[K]A:408 |
x,y,z |
1_555 |
1 |
1 |
216 |
34.1 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.154 |
29 |
37 |
|
[K]A:409 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20466 |
33.5 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.061 |
30 |
38 |
|
[K]B:905 |
1 |
1 |
216 |
◊ |
[K]A:409 |
x,y,z |
1_555 |
1 |
1 |
216 |
31.3 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
B |
4 |
2 |
20466 |
◊ |
[CD]A:402 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
112 |
28.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.009 |
32 |
40 |
|
[HEX]B:901 |
3 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
20092 |
26.4 |
0.4 |
0.626 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[CD]B:902 |
1 |
1 |
112 |
f |
[CD]A:402 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
112 |
19.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.100 |
34 |
42 |
|
[K]A:410 |
1 |
1 |
216 |
f |
[K]A:408 |
x,y,z |
1_555 |
1 |
1 |
216 |
15.9 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.072 |
35 |
43 |
|
[K]B:905 |
1 |
1 |
216 |
f |
[K]A:407 |
x,y,z |
1_555 |
1 |
1 |
216 |
14.5 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.065 |
36 |
44 |
|
B |
2 |
1 |
20466 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
20092 |
12.0 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
37 |
45 |
|
[K]A:410 |
1 |
1 |
216 |
f |
[R2R]A:401 |
x,y,z |
1_555 |
2 |
1 |
451 |
4.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.008 |
38 |
46 |
|
A |
1 |
1 |
20092 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
20466 |
0.6 |
0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
|