## |
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 |
|
G |
97 |
20 |
4657 |
◊ |
H |
x,y,z |
1_555 |
102 |
20 |
4673 |
933.3 |
-5.6 |
0.850 |
49 |
0 |
0 |
1.000 |
2 |
|
D |
97 |
20 |
4668 |
◊ |
C |
x,y,z |
1_555 |
97 |
20 |
4661 |
932.9 |
-5.0 |
0.854 |
47 |
0 |
0 |
1.000 |
Average: |
933.1 |
-5.3 |
0.852 |
48 |
0 |
0 |
1.000 |
2 |
3 |
|
B |
46 |
15 |
4433 |
◊ |
A |
x,y,z |
1_555 |
43 |
16 |
4386 |
408.0 |
-4.3 |
0.247 |
0 |
0 |
0 |
0.037 |
4 |
|
F |
44 |
16 |
4388 |
◊ |
E |
x,y,z |
1_555 |
42 |
15 |
4440 |
401.7 |
-5.9 |
0.154 |
0 |
0 |
0 |
0.037 |
Average: |
404.9 |
-5.1 |
0.201 |
0 |
0 |
0 |
0.037 |
3 |
5 |
|
H |
44 |
7 |
4673 |
◊ |
E |
x,y,z |
1_555 |
37 |
13 |
4440 |
381.2 |
-11.7 |
0.119 |
9 |
0 |
0 |
0.178 |
6 |
|
C |
40 |
7 |
4661 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
4433 |
370.8 |
-11.3 |
0.117 |
9 |
0 |
0 |
0.178 |
Average: |
376.0 |
-11.5 |
0.118 |
9 |
0 |
0 |
0.178 |
4 |
7 |
|
H |
41 |
6 |
4673 |
◊ |
F |
x,y,z |
1_555 |
44 |
14 |
4388 |
376.9 |
-10.2 |
0.268 |
6 |
0 |
0 |
0.142 |
8 |
|
C |
40 |
6 |
4661 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
4386 |
363.9 |
-11.0 |
0.230 |
5 |
0 |
0 |
0.142 |
Average: |
370.4 |
-10.6 |
0.249 |
6 |
0 |
0 |
0.142 |
5 |
9 |
|
D |
42 |
6 |
4668 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
4386 |
374.8 |
-11.7 |
0.105 |
8 |
0 |
0 |
0.172 |
10 |
|
G |
42 |
6 |
4657 |
◊ |
F |
x,y,z |
1_555 |
40 |
13 |
4388 |
371.9 |
-11.2 |
0.119 |
10 |
0 |
0 |
0.172 |
Average: |
373.3 |
-11.5 |
0.112 |
9 |
0 |
0 |
0.172 |
6 |
11 |
|
D |
42 |
6 |
4668 |
◊ |
B |
x,y,z |
1_555 |
42 |
14 |
4433 |
374.3 |
-9.6 |
0.257 |
5 |
0 |
0 |
0.130 |
12 |
|
G |
41 |
6 |
4657 |
◊ |
E |
x,y,z |
1_555 |
42 |
14 |
4440 |
368.5 |
-9.2 |
0.275 |
5 |
0 |
0 |
0.130 |
Average: |
371.4 |
-9.4 |
0.266 |
5 |
0 |
0 |
0.130 |
7 |
13 |
|
B |
19 |
5 |
4433 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
16 |
2 |
4668 |
157.6 |
0.5 |
0.467 |
2 |
0 |
0 |
0.000 |
14 |
|
G |
19 |
2 |
4657 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
5 |
4440 |
145.1 |
0.2 |
0.417 |
2 |
0 |
0 |
0.000 |
Average: |
151.4 |
0.4 |
0.442 |
2 |
0 |
0 |
0.000 |
8 |
15 |
|
F |
17 |
6 |
4388 |
◊ |
H |
-x+2,y-1/2,-z+1 |
2_746 |
17 |
2 |
4673 |
153.7 |
1.2 |
0.568 |
2 |
0 |
0 |
0.000 |
16 |
|
C |
18 |
2 |
4661 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
22 |
6 |
4386 |
152.9 |
0.7 |
0.527 |
2 |
0 |
0 |
0.000 |
Average: |
153.3 |
1.0 |
0.547 |
2 |
0 |
0 |
0.000 |
9 |
17 |
|
B |
14 |
3 |
4433 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
3 |
4388 |
130.3 |
1.8 |
0.721 |
3 |
2 |
0 |
0.000 |
18 |
|
A |
17 |
3 |
4386 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
4440 |
94.4 |
0.9 |
0.689 |
1 |
2 |
0 |
0.000 |
Average: |
112.3 |
1.3 |
0.705 |
2 |
2 |
0 |
0.000 |
10 |
19 |
|
A |
13 |
4 |
4386 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
4388 |
124.8 |
3.4 |
0.849 |
4 |
0 |
0 |
0.000 |
11 |
20 |
|
B |
17 |
3 |
4433 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
13 |
1 |
4661 |
117.9 |
0.4 |
0.509 |
0 |
0 |
0 |
0.000 |
21 |
|
H |
14 |
2 |
4673 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
3 |
4440 |
115.7 |
0.7 |
0.535 |
1 |
0 |
0 |
0.000 |
Average: |
116.8 |
0.6 |
0.522 |
1 |
0 |
0 |
0.000 |
12 |
22 |
|
D |
13 |
1 |
4668 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
17 |
3 |
4386 |
115.8 |
0.1 |
0.511 |
0 |
0 |
0 |
0.000 |
23 |
|
F |
18 |
3 |
4388 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
14 |
1 |
4657 |
115.5 |
0.4 |
0.534 |
1 |
0 |
0 |
0.000 |
Average: |
115.7 |
0.3 |
0.523 |
1 |
0 |
0 |
0.000 |
13 |
24 |
|
[SO4]F:308 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
4388 |
81.6 |
-10.4 |
0.848 |
3 |
0 |
0 |
0.130 |
14 |
25 |
|
[SO4]A:305 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
4386 |
80.6 |
-10.1 |
0.867 |
2 |
0 |
0 |
0.108 |
15 |
26 |
|
[SO4]B:306 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
4433 |
79.1 |
-10.0 |
0.867 |
2 |
0 |
0 |
0.116 |
16 |
27 |
|
[SO4]E:307 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
4440 |
78.0 |
-9.7 |
0.859 |
2 |
0 |
0 |
0.121 |
17 |
28 |
|
[SO4]H:303 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
4673 |
69.3 |
-9.1 |
0.835 |
1 |
0 |
0 |
0.109 |
18 |
29 |
|
[SO4]C:302 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
4661 |
68.3 |
-9.2 |
0.832 |
1 |
0 |
0 |
0.243 |
19 |
30 |
|
[SO4]G:304 |
5 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
4657 |
68.2 |
-8.1 |
0.892 |
2 |
0 |
0 |
0.099 |
20 |
31 |
|
[SO4]G:304 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
4388 |
67.0 |
-8.3 |
0.778 |
2 |
0 |
0 |
0.102 |
21 |
32 |
|
[SO4]A:301 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
4386 |
66.3 |
-8.5 |
0.783 |
2 |
0 |
0 |
0.092 |
22 |
33 |
|
[SO4]H:303 |
4 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
4440 |
66.0 |
-8.7 |
0.779 |
2 |
0 |
0 |
0.109 |
23 |
34 |
|
[SO4]A:301 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
4668 |
65.9 |
-7.6 |
0.888 |
1 |
0 |
0 |
0.079 |
24 |
35 |
|
[SO4]C:302 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
4433 |
64.3 |
-8.0 |
0.801 |
2 |
0 |
0 |
0.095 |
25 |
36 |
|
C |
6 |
1 |
4661 |
◊ |
B |
-x,y-1/2,-z+2 |
2_547 |
7 |
2 |
4433 |
63.4 |
1.5 |
0.762 |
0 |
0 |
0 |
0.000 |
37 |
|
E |
6 |
2 |
4440 |
◊ |
H |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
1 |
4673 |
53.6 |
0.6 |
0.685 |
1 |
0 |
0 |
0.000 |
Average: |
58.5 |
1.0 |
0.724 |
1 |
0 |
0 |
0.000 |
26 |
38 |
|
[SO4]B:309 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
4433 |
53.3 |
-5.9 |
0.889 |
2 |
0 |
0 |
0.073 |
27 |
39 |
|
G |
5 |
1 |
4657 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
4388 |
52.6 |
0.0 |
0.524 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
6 |
2 |
4386 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
1 |
4668 |
51.0 |
0.8 |
0.691 |
1 |
0 |
0 |
0.000 |
Average: |
51.8 |
0.4 |
0.607 |
1 |
0 |
0 |
0.000 |
28 |
41 |
|
[SO4]B:309 |
4 |
1 |
186 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
4661 |
35.6 |
-3.2 |
0.902 |
0 |
0 |
0 |
0.000 |
29 |
42 |
|
[SO4]A:301 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
4661 |
31.3 |
-5.1 |
0.526 |
0 |
0 |
0 |
0.050 |
30 |
43 |
|
[SO4]G:304 |
3 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
4673 |
27.9 |
-4.8 |
0.509 |
0 |
0 |
0 |
0.053 |
31 |
44 |
|
[SO4]C:302 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
4668 |
27.6 |
-4.3 |
0.547 |
0 |
0 |
0 |
0.107 |
32 |
45 |
|
[SO4]H:303 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
3 |
3 |
4657 |
25.5 |
-3.7 |
0.563 |
0 |
0 |
0 |
0.042 |
33 |
46 |
|
D |
4 |
2 |
4668 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
2 |
4673 |
13.4 |
-0.6 |
0.451 |
0 |
0 |
0 |
0.000 |
47 |
|
C |
4 |
3 |
4661 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
2 |
4657 |
12.8 |
-0.6 |
0.494 |
0 |
0 |
0 |
0.000 |
Average: |
13.1 |
-0.6 |
0.472 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[SO4]B:309 |
1 |
1 |
186 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
4433 |
1.0 |
-0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
|