| ## |
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 |
204 |
55 |
14959 |
◊ |
C |
x,y,z |
1_555 |
202 |
56 |
14855 |
2010.2 |
-28.5 |
0.023 |
30 |
15 |
0 |
0.717 |
2 |
|
B |
199 |
55 |
15200 |
◊ |
A |
x,y,z |
1_555 |
200 |
57 |
14921 |
2003.1 |
-29.4 |
0.012 |
31 |
16 |
0 |
0.717 |
| Average: |
2006.7 |
-28.9 |
0.017 |
31 |
16 |
0 |
0.717 |
| 2 |
3 |
|
D |
116 |
36 |
14959 |
◊ |
A |
x,y,z |
1_555 |
117 |
37 |
14921 |
1214.7 |
-20.0 |
0.017 |
14 |
0 |
0 |
0.556 |
4 |
|
C |
119 |
36 |
14855 |
◊ |
B |
x,y,z |
1_555 |
118 |
38 |
15200 |
1208.8 |
-19.8 |
0.021 |
13 |
0 |
0 |
0.556 |
| Average: |
1211.8 |
-19.9 |
0.019 |
14 |
0 |
0 |
0.556 |
| 3 |
5 |
|
F |
72 |
14 |
5732 |
◊ |
B |
x,y,z |
1_555 |
92 |
28 |
15200 |
724.8 |
-6.0 |
0.351 |
13 |
7 |
0 |
0.506 |
| 4 |
6 |
|
E |
71 |
12 |
2105 |
◊ |
A |
x,y,z |
1_555 |
87 |
26 |
14921 |
719.4 |
-5.2 |
0.416 |
14 |
11 |
0 |
0.506 |
| 5 |
7 |
|
[NAD]C:1001 |
41 |
1 |
833 |
f |
C |
x,y,z |
1_555 |
79 |
31 |
14855 |
540.9 |
-4.1 |
0.597 |
7 |
0 |
0 |
0.352 |
8 |
|
[NAD]D:1001 |
40 |
1 |
833 |
f |
D |
x,y,z |
1_555 |
74 |
30 |
14959 |
538.3 |
-4.4 |
0.531 |
7 |
0 |
0 |
0.352 |
9 |
|
[NAD]B:1001 |
40 |
1 |
831 |
f |
B |
x,y,z |
1_555 |
75 |
28 |
15200 |
531.6 |
-5.3 |
0.430 |
8 |
0 |
0 |
0.352 |
10 |
|
[NAD]A:1001 |
41 |
1 |
830 |
f |
A |
x,y,z |
1_555 |
78 |
29 |
14921 |
522.0 |
-5.5 |
0.449 |
8 |
0 |
0 |
0.352 |
| Average: |
533.2 |
-4.8 |
0.502 |
8 |
0 |
0 |
0.352 |
| 6 |
11 |
|
D |
53 |
17 |
14959 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
62 |
19 |
15200 |
517.3 |
-0.8 |
0.674 |
7 |
1 |
0 |
0.000 |
| 7 |
12 |
|
C |
49 |
15 |
14855 |
◊ |
A |
x,y,z |
1_555 |
52 |
15 |
14921 |
476.1 |
-3.5 |
0.445 |
2 |
0 |
0 |
0.030 |
13 |
|
D |
49 |
14 |
14959 |
◊ |
B |
x,y,z |
1_555 |
50 |
14 |
15200 |
459.4 |
-1.1 |
0.640 |
2 |
0 |
0 |
0.030 |
| Average: |
467.7 |
-2.3 |
0.543 |
2 |
0 |
0 |
0.030 |
| 8 |
14 |
|
D |
31 |
11 |
14959 |
◊ |
F |
-x+1/2,y-1/2,-z+2 |
3_547 |
40 |
11 |
5732 |
310.3 |
-2.2 |
0.465 |
4 |
1 |
0 |
0.000 |
| 9 |
15 |
|
C |
34 |
13 |
14855 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
34 |
11 |
15200 |
270.7 |
-2.3 |
0.340 |
1 |
1 |
0 |
0.000 |
| 10 |
16 |
|
E |
28 |
6 |
2105 |
◊ |
D |
x,y,z |
1_555 |
29 |
8 |
14959 |
221.6 |
-3.2 |
0.259 |
2 |
0 |
0 |
0.060 |
| 11 |
17 |
|
B |
24 |
8 |
15200 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
26 |
10 |
14959 |
208.4 |
-1.8 |
0.437 |
2 |
0 |
0 |
0.000 |
| 12 |
18 |
|
F |
27 |
6 |
5732 |
◊ |
C |
x,y,z |
1_555 |
25 |
7 |
14855 |
206.5 |
-3.6 |
0.218 |
0 |
0 |
0 |
0.040 |
| 13 |
19 |
|
D |
24 |
9 |
14959 |
◊ |
C |
x-1/2,-y+1/2,-z+2 |
4_457 |
21 |
7 |
14855 |
187.5 |
-1.2 |
0.516 |
2 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[NAD]A:1001 |
25 |
1 |
830 |
◊ |
E |
x,y,z |
1_555 |
20 |
5 |
2105 |
162.0 |
-2.8 |
0.516 |
2 |
0 |
0 |
0.143 |
| 15 |
21 |
|
[NAD]B:1001 |
22 |
1 |
831 |
◊ |
F |
x,y,z |
1_555 |
21 |
6 |
5732 |
150.9 |
-2.7 |
0.529 |
2 |
0 |
0 |
0.142 |
| 16 |
22 |
|
A |
19 |
5 |
14921 |
◊ |
C |
x-1/2,-y+1/2,-z+3 |
4_458 |
16 |
6 |
14855 |
146.3 |
-0.9 |
0.517 |
1 |
1 |
0 |
0.000 |
| 17 |
23 |
|
A |
14 |
4 |
14921 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
13 |
6 |
15200 |
122.8 |
-0.9 |
0.466 |
2 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[SO4]C:1002 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
11 |
14855 |
111.3 |
-19.6 |
0.521 |
10 |
0 |
0 |
0.342 |
| 19 |
25 |
|
[NAD]C:1001 |
8 |
1 |
833 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
15200 |
56.4 |
-2.7 |
0.342 |
0 |
0 |
0 |
0.092 |
26 |
|
[NAD]D:1001 |
7 |
1 |
833 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
14921 |
51.7 |
-2.6 |
0.313 |
0 |
0 |
0 |
0.092 |
27 |
|
[NAD]A:1001 |
7 |
1 |
830 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
14959 |
37.5 |
-1.7 |
0.420 |
0 |
0 |
0 |
0.092 |
28 |
|
[NAD]B:1001 |
8 |
1 |
831 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
14855 |
32.6 |
-1.2 |
0.512 |
0 |
0 |
0 |
0.092 |
| Average: |
44.6 |
-2.1 |
0.397 |
0 |
0 |
0 |
0.092 |
| 20 |
29 |
|
A |
6 |
3 |
14921 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
6 |
5 |
15200 |
50.4 |
0.5 |
0.731 |
1 |
1 |
0 |
0.000 |
| 21 |
30 |
|
A |
6 |
2 |
14921 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
7 |
3 |
14959 |
43.7 |
0.4 |
0.714 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
C |
7 |
3 |
14855 |
◊ |
F |
-x+1/2,y-1/2,-z+3 |
3_548 |
3 |
2 |
5732 |
42.4 |
0.5 |
0.749 |
1 |
0 |
0 |
0.000 |
| 23 |
32 |
|
E |
7 |
3 |
2105 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
4 |
1 |
15200 |
27.9 |
0.3 |
0.709 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
A |
3 |
1 |
14921 |
◊ |
A |
-x,-y,z |
2_555 |
3 |
1 |
14921 |
19.4 |
-0.6 |
0.284 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[NAD]C:1001 |
3 |
1 |
833 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
5732 |
17.6 |
-0.5 |
0.488 |
0 |
0 |
0 |
0.006 |
| 26 |
35 |
|
[NAD]D:1001 |
2 |
1 |
833 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
2105 |
14.5 |
-0.5 |
0.420 |
0 |
0 |
0 |
0.007 |
| 27 |
36 |
|
B |
3 |
1 |
15200 |
◊ |
C |
x-1/2,-y+1/2,-z+2 |
4_457 |
1 |
1 |
14855 |
7.0 |
0.2 |
0.733 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
[SO4]C:1002 |
2 |
1 |
185 |
f |
[NAD]C:1001 |
x,y,z |
1_555 |
2 |
1 |
833 |
4.4 |
-0.6 |
0.720 |
0 |
0 |
0 |
0.008 |
|