## |
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 |
|
L |
77 |
25 |
6116 |
◊ |
E |
x,y,z |
1_555 |
70 |
26 |
5853 |
760.0 |
-8.9 |
0.154 |
7 |
0 |
0 |
1.000 |
2 |
|
K |
70 |
23 |
6287 |
◊ |
F |
x,y,z |
1_555 |
69 |
26 |
5814 |
722.0 |
-8.8 |
0.151 |
7 |
0 |
0 |
1.000 |
3 |
|
G |
73 |
24 |
5937 |
◊ |
C |
x,y,z |
1_555 |
66 |
25 |
5883 |
721.7 |
-9.6 |
0.116 |
7 |
0 |
0 |
1.000 |
4 |
|
J |
74 |
24 |
6058 |
◊ |
A |
x,y,z |
1_555 |
66 |
25 |
5791 |
709.8 |
-10.0 |
0.107 |
6 |
0 |
0 |
1.000 |
5 |
|
H |
73 |
24 |
6000 |
◊ |
D |
x,y,z |
1_555 |
68 |
26 |
5873 |
708.6 |
-10.4 |
0.094 |
7 |
0 |
0 |
1.000 |
6 |
|
I |
70 |
22 |
6018 |
◊ |
B |
x,y,z |
1_555 |
67 |
25 |
5882 |
703.1 |
-9.1 |
0.119 |
5 |
0 |
0 |
1.000 |
Average: |
720.9 |
-9.5 |
0.123 |
7 |
0 |
0 |
1.000 |
2 |
7 |
|
K |
45 |
14 |
6287 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
49 |
15 |
6116 |
456.5 |
3.0 |
0.833 |
11 |
0 |
0 |
0.000 |
8 |
|
J |
41 |
12 |
6058 |
◊ |
G |
-x,y-1/2,-z-1/2 |
3_544 |
42 |
14 |
5937 |
406.4 |
1.3 |
0.740 |
7 |
0 |
0 |
0.000 |
9 |
|
H |
40 |
13 |
6000 |
◊ |
I |
-x,y-1/2,-z-1/2 |
3_544 |
46 |
15 |
6018 |
402.3 |
0.2 |
0.646 |
8 |
0 |
0 |
0.000 |
Average: |
421.7 |
1.5 |
0.740 |
9 |
0 |
0 |
0.000 |
3 |
10 |
|
E |
36 |
10 |
5853 |
◊ |
D |
x,y,z |
1_555 |
37 |
8 |
5873 |
312.7 |
-0.8 |
0.638 |
4 |
2 |
0 |
0.000 |
11 |
|
D |
30 |
10 |
5873 |
◊ |
A |
x,y,z |
1_555 |
36 |
7 |
5791 |
286.2 |
-0.8 |
0.643 |
4 |
1 |
0 |
0.000 |
12 |
|
C |
29 |
10 |
5883 |
◊ |
B |
x,y,z |
1_555 |
33 |
6 |
5882 |
281.7 |
-0.8 |
0.610 |
4 |
3 |
0 |
0.000 |
Average: |
293.5 |
-0.8 |
0.630 |
4 |
2 |
0 |
0.000 |
4 |
13 |
|
I |
36 |
12 |
6018 |
◊ |
C |
x-1/2,-y+1/2,-z-1 |
4_454 |
40 |
16 |
5883 |
310.6 |
1.5 |
0.782 |
4 |
0 |
0 |
0.000 |
14 |
|
J |
34 |
14 |
6058 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
30 |
12 |
5873 |
257.0 |
1.2 |
0.742 |
2 |
0 |
0 |
0.000 |
Average: |
283.8 |
1.3 |
0.762 |
3 |
0 |
0 |
0.000 |
5 |
15 |
|
C |
36 |
8 |
5883 |
◊ |
F |
x-1/2,-y+1/2,-z-1 |
4_454 |
34 |
10 |
5814 |
306.0 |
-1.0 |
0.611 |
4 |
1 |
0 |
0.000 |
16 |
|
B |
33 |
11 |
5882 |
◊ |
F |
x-1/2,-y+1/2,-z-1 |
4_454 |
37 |
7 |
5814 |
304.4 |
-0.6 |
0.647 |
4 |
3 |
0 |
0.000 |
17 |
|
E |
35 |
7 |
5853 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
5791 |
286.5 |
-1.3 |
0.587 |
3 |
0 |
0 |
0.000 |
Average: |
299.0 |
-1.0 |
0.615 |
4 |
1 |
0 |
0.000 |
6 |
18 |
|
I |
24 |
8 |
6018 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
26 |
10 |
6116 |
261.3 |
-0.9 |
0.497 |
2 |
4 |
0 |
0.000 |
7 |
19 |
|
B |
26 |
9 |
5882 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
5791 |
209.7 |
-1.4 |
0.446 |
1 |
0 |
0 |
0.000 |
8 |
20 |
|
E |
22 |
8 |
5853 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
21 |
6 |
6000 |
201.1 |
-1.5 |
0.440 |
2 |
4 |
0 |
0.000 |
21 |
|
G |
19 |
6 |
5937 |
◊ |
F |
x,y,z |
1_555 |
23 |
7 |
5814 |
194.6 |
-1.2 |
0.464 |
2 |
4 |
0 |
0.000 |
Average: |
197.9 |
-1.3 |
0.452 |
2 |
4 |
0 |
0.000 |
9 |
22 |
|
H |
18 |
5 |
6000 |
◊ |
G |
-x,y-1/2,-z-1/2 |
3_544 |
20 |
8 |
5937 |
163.4 |
1.4 |
0.773 |
0 |
5 |
0 |
0.000 |
10 |
23 |
|
H |
22 |
7 |
6000 |
◊ |
F |
x,y,z |
1_555 |
14 |
4 |
5814 |
158.6 |
-2.0 |
0.248 |
0 |
0 |
0 |
0.000 |
11 |
24 |
|
G |
17 |
5 |
5937 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
5791 |
149.2 |
1.2 |
0.761 |
1 |
0 |
0 |
0.000 |
12 |
25 |
|
K |
16 |
5 |
6287 |
◊ |
J |
-x+1/2,-y,z-1/2 |
2_554 |
17 |
5 |
6058 |
144.6 |
-1.3 |
0.388 |
1 |
2 |
0 |
0.000 |
26 |
|
L |
17 |
4 |
6116 |
◊ |
I |
-x,y-1/2,-z-1/2 |
3_544 |
11 |
3 |
6018 |
110.4 |
0.9 |
0.733 |
1 |
5 |
0 |
0.000 |
Average: |
127.5 |
-0.2 |
0.561 |
1 |
4 |
0 |
0.000 |
13 |
27 |
|
E |
12 |
6 |
5853 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
15 |
4 |
5873 |
132.9 |
-2.1 |
0.225 |
0 |
0 |
0 |
0.000 |
28 |
|
F |
10 |
5 |
5814 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
5883 |
121.7 |
-1.4 |
0.331 |
1 |
0 |
0 |
0.000 |
Average: |
127.3 |
-1.8 |
0.278 |
1 |
0 |
0 |
0.000 |
14 |
29 |
|
E |
17 |
8 |
5853 |
◊ |
K |
x-1/2,-y+1/2,-z |
4_455 |
14 |
6 |
6287 |
124.7 |
-0.7 |
0.499 |
1 |
0 |
0 |
0.000 |
15 |
30 |
|
C |
10 |
4 |
5883 |
◊ |
K |
x-1/2,-y+1/2,-z-1 |
4_454 |
18 |
7 |
6287 |
122.9 |
1.5 |
0.817 |
1 |
0 |
0 |
0.000 |
31 |
|
L |
9 |
3 |
6116 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
5873 |
69.5 |
1.4 |
0.809 |
0 |
0 |
0 |
0.000 |
32 |
|
I |
8 |
3 |
6018 |
◊ |
F |
x-1/2,-y+1/2,-z-1 |
4_454 |
9 |
4 |
5814 |
57.0 |
1.5 |
0.847 |
0 |
1 |
0 |
0.000 |
33 |
|
J |
6 |
2 |
6058 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
5853 |
54.3 |
1.5 |
0.839 |
0 |
0 |
0 |
0.000 |
Average: |
75.9 |
1.5 |
0.828 |
0 |
0 |
0 |
0.000 |
16 |
34 |
|
K |
11 |
6 |
6287 |
◊ |
H |
x,y,z |
1_555 |
10 |
5 |
6000 |
71.2 |
1.1 |
0.770 |
0 |
0 |
0 |
0.000 |
17 |
35 |
|
H |
10 |
2 |
6000 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
4 |
6116 |
69.6 |
-0.4 |
0.483 |
0 |
1 |
0 |
0.000 |
18 |
36 |
|
H |
7 |
2 |
6000 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
5791 |
62.6 |
1.3 |
0.836 |
0 |
0 |
0 |
0.000 |
37 |
|
G |
5 |
1 |
5937 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5882 |
20.1 |
0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
Average: |
41.3 |
0.7 |
0.733 |
0 |
0 |
0 |
0.000 |
19 |
38 |
|
L |
5 |
2 |
6116 |
◊ |
K |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
6287 |
62.1 |
0.3 |
0.566 |
1 |
0 |
0 |
0.000 |
20 |
39 |
|
B |
7 |
4 |
5882 |
◊ |
L |
x-1/2,-y+1/2,-z |
4_455 |
9 |
5 |
6116 |
57.5 |
-1.0 |
0.309 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
B |
8 |
3 |
5882 |
◊ |
C |
x-1/2,-y+1/2,-z-1 |
4_454 |
6 |
2 |
5883 |
55.9 |
0.7 |
0.748 |
0 |
0 |
0 |
0.000 |
41 |
|
A |
6 |
3 |
5791 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
5873 |
31.3 |
1.0 |
0.834 |
0 |
0 |
0 |
0.000 |
Average: |
43.6 |
0.9 |
0.791 |
0 |
0 |
0 |
0.000 |
22 |
42 |
|
D |
7 |
3 |
5873 |
◊ |
I |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
3 |
6018 |
53.0 |
-0.5 |
0.451 |
0 |
0 |
0 |
0.000 |
43 |
|
J |
4 |
1 |
6058 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
5883 |
31.6 |
-0.2 |
0.486 |
0 |
0 |
0 |
0.000 |
44 |
|
F |
4 |
2 |
5814 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
6116 |
25.1 |
-0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
45 |
|
K |
3 |
1 |
6287 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
5853 |
17.1 |
-0.2 |
0.407 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
1 |
1 |
5791 |
◊ |
G |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
5937 |
0.2 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
Average: |
25.4 |
-0.2 |
0.495 |
0 |
0 |
0 |
0.000 |
23 |
47 |
|
[NI]A:202 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
5791 |
42.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.263 |
24 |
48 |
|
[NI]B:201 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
5882 |
32.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[NI]A:201 |
1 |
1 |
115 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
5853 |
32.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[NI]A:201 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
5791 |
31.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[NI]A:201 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
5873 |
31.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
|
[NI]B:201 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
5883 |
31.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[NI]B:201 |
1 |
1 |
115 |
◊ |
F |
x-1/2,-y+1/2,-z-1 |
4_454 |
7 |
4 |
5814 |
31.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
31.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
54 |
|
[NI]A:202 |
1 |
1 |
115 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
6000 |
23.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
55 |
|
H |
1 |
1 |
6000 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
5882 |
1.4 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
|