| ## |
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 |
434 |
110 |
18301 |
◊ |
A |
x,y,z |
1_555 |
450 |
114 |
17724 |
4438.3 |
-72.4 |
0.029 |
32 |
21 |
0 |
0.847 |
2 |
|
D |
431 |
109 |
18465 |
◊ |
C |
x,y,z |
1_555 |
426 |
111 |
17675 |
4341.6 |
-69.4 |
0.031 |
35 |
22 |
0 |
0.847 |
| Average: |
4389.9 |
-70.9 |
0.030 |
34 |
22 |
0 |
0.847 |
| 2 |
3 |
|
D |
48 |
14 |
18465 |
◊ |
A |
x,y,z |
1_555 |
64 |
21 |
17724 |
534.4 |
-8.0 |
0.296 |
5 |
1 |
0 |
0.084 |
4 |
|
C |
62 |
22 |
17675 |
◊ |
B |
x,y,z |
1_555 |
39 |
14 |
18301 |
497.0 |
-7.3 |
0.246 |
5 |
2 |
0 |
0.084 |
| Average: |
515.7 |
-7.6 |
0.271 |
5 |
2 |
0 |
0.084 |
| 3 |
5 |
|
D |
61 |
21 |
18465 |
◊ |
B |
x,y,z |
1_555 |
57 |
19 |
18301 |
522.8 |
-4.7 |
0.660 |
4 |
0 |
0 |
0.027 |
| 4 |
6 |
|
D |
45 |
19 |
18465 |
◊ |
A |
-x+3,y-1/2,-z+2 |
2_847 |
47 |
19 |
17724 |
388.0 |
-2.3 |
0.659 |
4 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
39 |
12 |
18301 |
◊ |
A |
x-1,y,z |
1_455 |
35 |
14 |
17724 |
310.1 |
-3.5 |
0.543 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
32 |
7 |
17675 |
x |
C |
x,y,z-1 |
1_554 |
30 |
12 |
17675 |
276.7 |
-3.3 |
0.507 |
1 |
0 |
0 |
0.000 |
9 |
|
A |
25 |
11 |
17724 |
x |
A |
x,y,z-1 |
1_554 |
27 |
7 |
17724 |
246.5 |
-3.5 |
0.406 |
0 |
0 |
0 |
0.000 |
| Average: |
261.6 |
-3.4 |
0.456 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[55B]A:401 |
15 |
1 |
407 |
f |
A |
x,y,z |
1_555 |
40 |
17 |
17724 |
273.6 |
-6.7 |
0.367 |
4 |
0 |
0 |
0.159 |
11 |
|
[55B]B:401 |
15 |
1 |
409 |
f |
B |
x,y,z |
1_555 |
41 |
17 |
18301 |
267.8 |
-6.6 |
0.439 |
4 |
0 |
0 |
0.159 |
| Average: |
270.7 |
-6.6 |
0.403 |
4 |
0 |
0 |
0.159 |
| 8 |
12 |
|
[55B]D:401 |
15 |
1 |
395 |
f |
D |
x,y,z |
1_555 |
35 |
17 |
18465 |
265.8 |
-6.6 |
0.345 |
4 |
0 |
0 |
0.155 |
13 |
|
[55B]C:401 |
15 |
1 |
401 |
f |
C |
x,y,z |
1_555 |
32 |
17 |
17675 |
260.1 |
-6.1 |
0.368 |
4 |
0 |
0 |
0.155 |
| Average: |
263.0 |
-6.4 |
0.356 |
4 |
0 |
0 |
0.155 |
| 9 |
14 |
|
D |
30 |
10 |
18465 |
◊ |
C |
x-1,y,z |
1_455 |
25 |
10 |
17675 |
236.7 |
0.3 |
0.846 |
3 |
0 |
0 |
0.000 |
| 10 |
15 |
|
B |
17 |
6 |
18301 |
x |
B |
x,y,z-1 |
1_554 |
25 |
8 |
18301 |
199.8 |
-1.0 |
0.511 |
6 |
0 |
0 |
0.000 |
16 |
|
D |
16 |
6 |
18465 |
x |
D |
x,y,z-1 |
1_554 |
21 |
7 |
18465 |
158.9 |
0.3 |
0.756 |
2 |
0 |
0 |
0.000 |
| Average: |
179.3 |
-0.3 |
0.634 |
4 |
0 |
0 |
0.000 |
| 11 |
17 |
|
C |
21 |
7 |
17675 |
◊ |
B |
-x+3,y-1/2,-z+3 |
2_848 |
26 |
7 |
18301 |
199.3 |
0.5 |
0.849 |
1 |
0 |
0 |
0.000 |
| 12 |
18 |
|
C |
15 |
4 |
17675 |
◊ |
A |
-x+3,y-1/2,-z+2 |
2_847 |
22 |
6 |
17724 |
178.1 |
-3.0 |
0.326 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
C |
18 |
5 |
17675 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
17724 |
167.0 |
-4.3 |
0.148 |
0 |
0 |
0 |
0.018 |
| 14 |
20 |
|
B |
25 |
10 |
18301 |
◊ |
A |
x-1,y,z+1 |
1_456 |
15 |
6 |
17724 |
136.1 |
-1.2 |
0.654 |
1 |
0 |
0 |
0.000 |
| 15 |
21 |
|
C |
22 |
7 |
17675 |
◊ |
A |
-x+3,y-1/2,-z+3 |
2_848 |
11 |
4 |
17724 |
132.0 |
-1.3 |
0.458 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
D |
14 |
7 |
18465 |
◊ |
C |
x-1,y,z-1 |
1_454 |
18 |
7 |
17675 |
131.3 |
0.6 |
0.812 |
1 |
2 |
0 |
0.000 |
| 17 |
23 |
|
D |
12 |
4 |
18465 |
◊ |
B |
-x+2,y-1/2,-z+3 |
2_748 |
16 |
5 |
18301 |
120.5 |
0.5 |
0.803 |
1 |
2 |
0 |
0.000 |
| 18 |
24 |
|
[NO3]D:404 |
4 |
1 |
164 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
18465 |
103.5 |
1.8 |
0.672 |
4 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[NO3]C:403 |
4 |
1 |
165 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
17675 |
103.4 |
1.7 |
0.659 |
3 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[NO3]A:405 |
4 |
1 |
166 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
17724 |
102.0 |
1.9 |
0.678 |
3 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[NO3]C:404 |
4 |
1 |
166 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
17675 |
99.7 |
1.8 |
0.690 |
3 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[NO3]B:403 |
4 |
1 |
163 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
18301 |
99.6 |
1.8 |
0.670 |
4 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[NO3]A:404 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
17724 |
97.8 |
1.9 |
0.695 |
4 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[NO3]D:403 |
4 |
1 |
164 |
f |
A |
-x+3,y-1/2,-z+2 |
2_847 |
19 |
8 |
17724 |
72.8 |
0.5 |
0.479 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[NO3]C:405 |
4 |
1 |
165 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
17675 |
69.3 |
0.5 |
0.413 |
0 |
0 |
0 |
0.000 |
| 26 |
32 |
|
A |
7 |
3 |
17724 |
◊ |
[NO3]A:403 |
x,y,z-1 |
1_554 |
4 |
1 |
165 |
68.4 |
0.5 |
0.409 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[NO3]A:403 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
17724 |
63.1 |
0.2 |
0.409 |
1 |
0 |
0 |
0.003 |
| 28 |
34 |
|
C |
10 |
3 |
17675 |
f |
[NO3]C:405 |
x,y,z-1 |
1_554 |
4 |
1 |
165 |
62.8 |
0.2 |
0.409 |
1 |
0 |
0 |
0.003 |
| 29 |
35 |
|
[NO3]D:403 |
4 |
1 |
164 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
18465 |
61.0 |
1.0 |
0.504 |
1 |
0 |
0 |
0.000 |
| 30 |
36 |
|
B |
6 |
2 |
18301 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
2 |
17675 |
47.2 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
D |
5 |
1 |
18465 |
◊ |
A |
x,y,z-1 |
1_554 |
8 |
4 |
17724 |
35.5 |
0.4 |
0.795 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[55B]B:401 |
2 |
1 |
409 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17724 |
19.2 |
-0.2 |
0.636 |
0 |
0 |
0 |
0.003 |
39 |
|
[55B]A:401 |
2 |
1 |
407 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
18301 |
15.5 |
-0.1 |
0.588 |
0 |
0 |
0 |
0.003 |
| Average: |
17.3 |
-0.2 |
0.612 |
0 |
0 |
0 |
0.003 |
| 33 |
40 |
|
[55B]C:401 |
2 |
1 |
401 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
18465 |
13.0 |
-0.1 |
0.605 |
0 |
0 |
0 |
0.005 |
41 |
|
[55B]D:401 |
3 |
1 |
395 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
17675 |
12.3 |
-0.4 |
0.579 |
0 |
0 |
0 |
0.005 |
| Average: |
12.7 |
-0.3 |
0.592 |
0 |
0 |
0 |
0.005 |
| 34 |
42 |
|
C |
1 |
1 |
17675 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
18465 |
7.1 |
0.3 |
0.881 |
0 |
0 |
0 |
0.000 |
43 |
|
B |
1 |
1 |
18301 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
17724 |
0.6 |
-0.0 |
0.653 |
0 |
0 |
0 |
0.000 |
| Average: |
3.9 |
0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
| 35 |
44 |
|
B |
1 |
1 |
18301 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
18301 |
2.4 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
| 36 |
45 |
|
D |
2 |
2 |
18465 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
2 |
17724 |
1.7 |
-0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
| 37 |
46 |
|
[NO3]C:404 |
1 |
1 |
166 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
18301 |
0.8 |
-0.0 |
0.766 |
0 |
0 |
0 |
0.000 |
|