| ## |
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 |
|
D |
181 |
52 |
14376 |
◊ |
C |
x,y,z |
1_555 |
185 |
48 |
14408 |
1701.1 |
-37.2 |
0.476 |
8 |
4 |
0 |
1.000 |
2 |
|
B |
177 |
51 |
14184 |
◊ |
A |
x,y,z |
1_555 |
186 |
50 |
13970 |
1647.4 |
-35.6 |
0.496 |
4 |
3 |
0 |
1.000 |
3 |
|
D |
190 |
47 |
14376 |
◊ |
A |
x,y,z |
1_555 |
181 |
51 |
13970 |
1637.8 |
-36.9 |
0.518 |
5 |
4 |
0 |
1.000 |
4 |
|
C |
182 |
52 |
14408 |
◊ |
B |
x,y,z |
1_555 |
184 |
48 |
14184 |
1635.3 |
-36.6 |
0.457 |
5 |
4 |
0 |
1.000 |
| Average: |
1655.4 |
-36.6 |
0.487 |
6 |
4 |
0 |
1.000 |
| 2 |
5 |
|
A |
40 |
14 |
13970 |
◊ |
D |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
39 |
13 |
14376 |
439.1 |
-12.9 |
0.145 |
0 |
0 |
0 |
0.995 |
| 3 |
6 |
|
B |
30 |
11 |
14184 |
◊ |
C |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
31 |
14 |
14408 |
364.0 |
-11.5 |
0.074 |
0 |
0 |
0 |
0.114 |
| 4 |
7 |
|
[LDA]C:357 |
15 |
1 |
514 |
f |
C |
x,y,z |
1_555 |
25 |
7 |
14408 |
212.9 |
0.7 |
0.353 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[LDA]A:359 |
15 |
1 |
512 |
f |
B |
x,y,z |
1_555 |
25 |
7 |
14184 |
209.1 |
1.3 |
0.405 |
1 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[LDA]D:356 |
15 |
1 |
513 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
14376 |
208.8 |
0.4 |
0.315 |
1 |
0 |
0 |
0.100 |
| 7 |
10 |
|
[LDA]D:357 |
14 |
1 |
509 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
13970 |
200.2 |
1.7 |
0.468 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[LDA]A:359 |
12 |
1 |
512 |
◊ |
A |
x,y,z |
1_555 |
27 |
7 |
13970 |
171.0 |
2.4 |
0.583 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[LDA]D:357 |
14 |
1 |
509 |
◊ |
D |
x,y,z |
1_555 |
28 |
8 |
14376 |
169.3 |
1.9 |
0.501 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[LDA]D:356 |
13 |
1 |
513 |
◊ |
C |
x,y,z |
1_555 |
25 |
7 |
14408 |
164.4 |
2.8 |
0.549 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[LDA]C:357 |
12 |
1 |
514 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
14184 |
153.6 |
3.1 |
0.588 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
C |
12 |
9 |
14408 |
◊ |
A |
x,y,z |
1_555 |
11 |
8 |
13970 |
64.6 |
-0.2 |
0.859 |
1 |
0 |
0 |
0.007 |
16 |
|
D |
9 |
8 |
14376 |
◊ |
B |
x,y,z |
1_555 |
9 |
8 |
14184 |
34.4 |
-0.4 |
0.827 |
0 |
0 |
0 |
0.007 |
| Average: |
49.5 |
-0.3 |
0.843 |
1 |
0 |
0 |
0.007 |
| 13 |
17 |
|
[K]A:360 |
1 |
1 |
216 |
f |
[K]A:356 |
x,y,z |
1_555 |
1 |
1 |
216 |
44.3 |
-44.3 |
0.000 |
0 |
0 |
0 |
0.065 |
| 14 |
18 |
|
[K]B:356 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
13970 |
41.7 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.126 |
19 |
|
[K]B:356 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
14184 |
40.2 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.126 |
20 |
|
[K]B:356 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
14408 |
39.7 |
-21.6 |
0.000 |
0 |
0 |
0 |
0.126 |
21 |
|
[K]B:356 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
14376 |
37.1 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.126 |
| Average: |
39.7 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.126 |
| 15 |
22 |
|
[K]A:360 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
14408 |
39.5 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.106 |
23 |
|
[K]A:360 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
14376 |
37.8 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.106 |
24 |
|
[K]A:360 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
13970 |
35.9 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.106 |
25 |
|
[K]A:360 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14184 |
35.3 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.106 |
| Average: |
37.1 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.106 |
| 16 |
26 |
|
[K]A:356 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
14408 |
37.9 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.101 |
27 |
|
[K]A:356 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
14376 |
37.7 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.101 |
28 |
|
[K]A:356 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
13970 |
37.2 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.101 |
29 |
|
[K]A:356 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
14184 |
37.0 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
37.4 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.101 |
| 17 |
30 |
|
[K]A:358 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
13970 |
35.9 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.108 |
31 |
|
[K]A:358 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
14184 |
34.5 |
-18.6 |
0.000 |
0 |
0 |
0 |
0.108 |
32 |
|
[K]A:358 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
14376 |
33.9 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.108 |
33 |
|
[K]A:358 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
14408 |
33.8 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
34.5 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.108 |
| 18 |
34 |
|
[K]A:357 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
13970 |
35.6 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.102 |
35 |
|
[K]A:357 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
14376 |
35.5 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.102 |
36 |
|
[K]A:357 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
14408 |
34.6 |
-17.1 |
0.000 |
0 |
0 |
0 |
0.102 |
37 |
|
[K]A:357 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
14184 |
33.5 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.102 |
| Average: |
34.8 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.102 |
| 19 |
38 |
|
[K]B:356 |
1 |
1 |
216 |
f |
[K]A:358 |
x,y,z |
1_555 |
1 |
1 |
216 |
31.9 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.047 |
| 20 |
39 |
|
[K]A:357 |
1 |
1 |
216 |
f |
[K]A:356 |
x,y,z |
1_555 |
1 |
1 |
216 |
29.6 |
-29.6 |
0.000 |
0 |
0 |
0 |
0.043 |
| 21 |
40 |
|
[K]A:358 |
1 |
1 |
216 |
f |
[K]A:357 |
x,y,z |
1_555 |
1 |
1 |
216 |
28.8 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.042 |
| 22 |
41 |
|
[K]A:360 |
1 |
1 |
216 |
f |
[K]A:357 |
x,y,z |
1_555 |
1 |
1 |
216 |
15.0 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.022 |
| 23 |
42 |
|
[K]B:356 |
1 |
1 |
216 |
f |
[K]A:357 |
x,y,z |
1_555 |
1 |
1 |
216 |
8.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| 24 |
43 |
|
[K]A:358 |
1 |
1 |
216 |
f |
[K]A:356 |
x,y,z |
1_555 |
1 |
1 |
216 |
8.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.012 |
| 25 |
44 |
|
[LDA]D:357 |
1 |
1 |
509 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
14408 |
4.1 |
-0.1 |
0.339 |
0 |
0 |
0 |
0.001 |
| 26 |
45 |
|
[LDA]D:356 |
1 |
1 |
513 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14184 |
0.6 |
-0.0 |
0.417 |
0 |
0 |
0 |
0.000 |
|