## |
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 |
87 |
14 |
3700 |
◊ |
A |
x,y,z |
1_555 |
106 |
27 |
8397 |
858.7 |
-5.5 |
0.318 |
11 |
7 |
0 |
0.408 |
2 |
|
E |
85 |
13 |
3385 |
◊ |
D |
x,y,z |
1_555 |
110 |
29 |
8750 |
855.4 |
-4.0 |
0.408 |
13 |
13 |
0 |
0.408 |
Average: |
857.0 |
-4.7 |
0.363 |
12 |
10 |
0 |
0.408 |
2 |
3 |
|
D |
99 |
23 |
8750 |
◊ |
A |
x,y,z |
1_555 |
91 |
21 |
8397 |
823.9 |
0.9 |
0.731 |
13 |
9 |
0 |
0.006 |
3 |
4 |
|
F |
78 |
19 |
2986 |
◊ |
E |
x,y,z |
1_555 |
74 |
20 |
3385 |
750.8 |
-8.4 |
0.228 |
6 |
0 |
0 |
0.251 |
5 |
|
C |
71 |
18 |
3284 |
◊ |
B |
x,y,z |
1_555 |
74 |
20 |
3700 |
746.9 |
-8.9 |
0.190 |
5 |
0 |
0 |
0.251 |
Average: |
748.8 |
-8.6 |
0.209 |
6 |
0 |
0 |
0.251 |
4 |
6 |
|
A |
57 |
17 |
8397 |
◊ |
B |
x-1,y,z |
1_455 |
46 |
10 |
3700 |
455.8 |
-0.1 |
0.609 |
9 |
6 |
0 |
0.000 |
7 |
|
E |
33 |
8 |
3385 |
◊ |
D |
x-1,y,z |
1_455 |
39 |
9 |
8750 |
332.7 |
-0.1 |
0.599 |
4 |
2 |
0 |
0.000 |
Average: |
394.3 |
-0.1 |
0.604 |
7 |
4 |
0 |
0.000 |
5 |
8 |
|
C |
45 |
13 |
3284 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
57 |
17 |
8750 |
438.3 |
3.4 |
0.799 |
8 |
2 |
0 |
0.007 |
6 |
9 |
|
[GNP]A:201 |
31 |
1 |
634 |
f |
A |
x,y,z |
1_555 |
48 |
19 |
8397 |
370.2 |
-3.9 |
0.444 |
12 |
0 |
0 |
0.308 |
10 |
|
[GNP]D:201 |
28 |
1 |
635 |
f |
D |
x,y,z |
1_555 |
45 |
18 |
8750 |
343.8 |
-3.5 |
0.418 |
12 |
0 |
0 |
0.308 |
Average: |
357.0 |
-3.7 |
0.431 |
12 |
0 |
0 |
0.308 |
7 |
11 |
|
C |
24 |
7 |
3284 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
35 |
11 |
8397 |
259.7 |
-0.1 |
0.621 |
4 |
0 |
0 |
0.000 |
8 |
12 |
|
C |
31 |
7 |
3284 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
8397 |
252.4 |
-4.1 |
0.178 |
1 |
0 |
0 |
0.103 |
13 |
|
F |
27 |
7 |
2986 |
◊ |
D |
x,y,z |
1_555 |
25 |
8 |
8750 |
244.6 |
-3.2 |
0.241 |
3 |
0 |
0 |
0.103 |
Average: |
248.5 |
-3.7 |
0.210 |
2 |
0 |
0 |
0.103 |
9 |
14 |
|
F |
19 |
5 |
2986 |
◊ |
D |
x-1,y,z |
1_455 |
19 |
6 |
8750 |
200.9 |
1.0 |
0.719 |
2 |
0 |
0 |
0.000 |
15 |
|
A |
17 |
7 |
8397 |
◊ |
C |
x-1,y,z |
1_455 |
19 |
6 |
3284 |
177.5 |
0.0 |
0.526 |
2 |
0 |
0 |
0.000 |
Average: |
189.2 |
0.5 |
0.622 |
2 |
0 |
0 |
0.000 |
10 |
16 |
|
B |
19 |
5 |
3700 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
24 |
8 |
8397 |
172.6 |
-1.8 |
0.373 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[PG4]A:203 |
12 |
1 |
383 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
8397 |
164.1 |
4.6 |
0.376 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
D |
18 |
5 |
8750 |
◊ |
A |
x,y,z-1 |
1_554 |
19 |
6 |
8397 |
160.6 |
-0.5 |
0.529 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[PG4]A:203 |
11 |
1 |
383 |
f |
D |
x,y,z |
1_555 |
23 |
7 |
8750 |
150.9 |
1.7 |
0.221 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
E |
16 |
5 |
3385 |
◊ |
A |
x,y,z-1 |
1_554 |
18 |
6 |
8397 |
133.1 |
-1.6 |
0.362 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
E |
14 |
5 |
3385 |
◊ |
B |
x-1,y,z-1 |
1_454 |
16 |
5 |
3700 |
132.8 |
1.8 |
0.769 |
3 |
1 |
0 |
0.000 |
16 |
22 |
|
A |
13 |
4 |
8397 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
4 |
8750 |
92.5 |
0.4 |
0.610 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[SO4]C:102 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
3284 |
84.8 |
-11.5 |
0.846 |
2 |
0 |
0 |
0.178 |
18 |
24 |
|
F |
12 |
3 |
2986 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
5 |
8397 |
78.9 |
-0.5 |
0.347 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[SO4]C:101 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
3284 |
76.7 |
-11.1 |
0.700 |
1 |
0 |
0 |
0.166 |
20 |
26 |
|
[SO4]C:101 |
5 |
1 |
186 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
10 |
5 |
8750 |
72.5 |
-9.5 |
0.875 |
2 |
0 |
0 |
0.146 |
21 |
27 |
|
D |
6 |
2 |
8750 |
x |
D |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
3 |
8750 |
71.9 |
-0.2 |
0.361 |
1 |
0 |
0 |
0.000 |
22 |
28 |
|
A |
10 |
5 |
8397 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
5 |
2 |
8397 |
68.4 |
-2.4 |
0.077 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
E |
7 |
3 |
3385 |
◊ |
A |
x-1,y,z-1 |
1_454 |
9 |
3 |
8397 |
62.2 |
0.6 |
0.636 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[SO4]C:102 |
4 |
1 |
185 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
10 |
4 |
8750 |
55.6 |
-7.6 |
0.615 |
1 |
0 |
0 |
0.113 |
25 |
31 |
|
D |
4 |
1 |
8750 |
x |
D |
x-1,y,z |
1_455 |
6 |
1 |
8750 |
44.8 |
0.9 |
0.808 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
2 |
1 |
8397 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
8397 |
5.3 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
Average: |
25.1 |
0.4 |
0.697 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
C |
3 |
1 |
3284 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
2 |
3385 |
37.5 |
1.0 |
0.828 |
1 |
2 |
0 |
0.000 |
27 |
34 |
|
[MG]D:202 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
8750 |
37.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.145 |
35 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8397 |
36.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.145 |
Average: |
37.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.145 |
28 |
36 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
[GNP]A:201 |
x,y,z |
1_555 |
4 |
1 |
634 |
35.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.170 |
37 |
|
[MG]D:202 |
1 |
1 |
98 |
f |
[GNP]D:201 |
x,y,z |
1_555 |
3 |
1 |
635 |
35.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.170 |
Average: |
35.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.170 |
29 |
38 |
|
A |
3 |
1 |
8397 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
1 |
8750 |
29.5 |
-0.4 |
0.371 |
0 |
0 |
0 |
0.000 |
30 |
39 |
|
[GNP]A:201 |
1 |
1 |
634 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3700 |
15.9 |
0.6 |
0.747 |
0 |
0 |
0 |
0.000 |
40 |
|
[GNP]D:201 |
1 |
1 |
635 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
3385 |
13.6 |
0.5 |
0.605 |
0 |
0 |
0 |
0.000 |
Average: |
14.7 |
0.6 |
0.676 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
3700 |
14.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.032 |
42 |
|
[MG]D:202 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
3385 |
14.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
14.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.032 |
32 |
43 |
|
F |
3 |
1 |
2986 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
8750 |
9.8 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
B |
1 |
1 |
3700 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8750 |
6.2 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
C |
2 |
1 |
3284 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
8397 |
4.1 |
0.0 |
0.517 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
D |
1 |
1 |
8750 |
◊ |
A |
x-1,y,z-1 |
1_454 |
1 |
1 |
8397 |
3.1 |
0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
|