## |
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 |
|
C |
135 |
36 |
14248 |
◊ |
B |
x-1,y-1,z+1 |
1_446 |
136 |
37 |
14665 |
1298.4 |
-10.5 |
0.173 |
7 |
5 |
0 |
0.087 |
2 |
|
A |
138 |
36 |
14611 |
◊ |
D |
x-1,y,z+2 |
1_457 |
137 |
38 |
14269 |
1295.2 |
-12.2 |
0.122 |
7 |
4 |
0 |
0.087 |
Average: |
1296.8 |
-11.4 |
0.148 |
7 |
5 |
0 |
0.087 |
2 |
3 |
|
C |
64 |
20 |
14248 |
◊ |
B |
x-1,y-1,z |
1_445 |
60 |
20 |
14665 |
620.2 |
-4.4 |
0.298 |
6 |
4 |
0 |
0.000 |
4 |
|
D |
62 |
20 |
14269 |
◊ |
A |
x,y,z-1 |
1_554 |
61 |
21 |
14611 |
601.3 |
-4.3 |
0.306 |
6 |
4 |
0 |
0.000 |
Average: |
610.7 |
-4.3 |
0.302 |
6 |
4 |
0 |
0.000 |
3 |
5 |
|
B |
58 |
18 |
14665 |
◊ |
A |
x,y,z-1 |
1_554 |
69 |
20 |
14611 |
581.6 |
2.0 |
0.699 |
2 |
4 |
0 |
0.000 |
4 |
6 |
|
C |
65 |
19 |
14248 |
x |
C |
x-1,y,z |
1_455 |
52 |
14 |
14248 |
571.8 |
-4.2 |
0.280 |
3 |
0 |
0 |
0.000 |
7 |
|
D |
40 |
12 |
14269 |
x |
D |
x-1,y,z |
1_455 |
36 |
10 |
14269 |
344.7 |
-4.5 |
0.203 |
2 |
0 |
0 |
0.000 |
Average: |
458.3 |
-4.4 |
0.241 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
[9WG]C:401 |
24 |
1 |
517 |
◊ |
C |
x,y,z |
1_555 |
51 |
21 |
14248 |
351.2 |
2.7 |
0.257 |
2 |
0 |
0 |
0.000 |
9 |
|
[9WG]D:401 |
24 |
1 |
517 |
◊ |
D |
x,y,z |
1_555 |
50 |
20 |
14269 |
350.4 |
2.9 |
0.257 |
1 |
0 |
0 |
0.000 |
10 |
|
[9WG]B:4001 |
24 |
1 |
517 |
◊ |
B |
x,y,z |
1_555 |
47 |
19 |
14665 |
347.3 |
2.8 |
0.231 |
2 |
0 |
0 |
0.000 |
11 |
|
[9WG]A:4001 |
24 |
1 |
517 |
◊ |
A |
x,y,z |
1_555 |
48 |
20 |
14611 |
346.3 |
2.7 |
0.233 |
2 |
0 |
0 |
0.000 |
Average: |
348.8 |
2.8 |
0.245 |
2 |
0 |
0 |
0.000 |
6 |
12 |
|
D |
43 |
13 |
14269 |
◊ |
B |
x,y-1,z |
1_545 |
41 |
8 |
14665 |
346.8 |
-0.9 |
0.515 |
4 |
0 |
0 |
0.000 |
13 |
|
C |
44 |
14 |
14248 |
◊ |
A |
x-1,y,z-1 |
1_454 |
42 |
9 |
14611 |
345.3 |
-1.7 |
0.469 |
5 |
0 |
0 |
0.000 |
Average: |
346.1 |
-1.3 |
0.492 |
5 |
0 |
0 |
0.000 |
7 |
14 |
|
C |
22 |
6 |
14248 |
◊ |
A |
x,y-1,z-1 |
1_544 |
28 |
9 |
14611 |
225.3 |
-2.1 |
0.352 |
1 |
0 |
0 |
0.000 |
8 |
15 |
|
C |
23 |
7 |
14248 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
18 |
5 |
14611 |
189.4 |
1.5 |
0.675 |
2 |
0 |
0 |
0.000 |
9 |
16 |
|
D |
21 |
8 |
14269 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
14665 |
181.9 |
-0.2 |
0.569 |
2 |
0 |
0 |
0.000 |
10 |
17 |
|
A |
20 |
6 |
14611 |
◊ |
D |
x-1,y,z+1 |
1_456 |
18 |
5 |
14269 |
150.2 |
0.2 |
0.585 |
0 |
0 |
0 |
0.000 |
18 |
|
C |
13 |
5 |
14248 |
◊ |
B |
x,y-1,z |
1_545 |
14 |
4 |
14665 |
112.9 |
0.8 |
0.699 |
0 |
0 |
0 |
0.000 |
Average: |
131.6 |
0.5 |
0.642 |
0 |
0 |
0 |
0.000 |
11 |
19 |
|
[SO4]B:4003 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
14665 |
118.8 |
-16.1 |
0.705 |
3 |
0 |
0 |
0.105 |
12 |
20 |
|
[SO4]C:402 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
14248 |
116.6 |
-15.8 |
0.742 |
3 |
0 |
0 |
0.104 |
13 |
21 |
|
[SO4]A:4003 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14611 |
111.7 |
-16.0 |
0.810 |
3 |
0 |
0 |
0.039 |
14 |
22 |
|
[SO4]D:402 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
14269 |
110.3 |
-15.6 |
0.829 |
4 |
0 |
0 |
0.054 |
15 |
23 |
|
[SO4]B:4007 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
14665 |
99.2 |
-13.6 |
0.849 |
4 |
0 |
0 |
0.093 |
16 |
24 |
|
C |
7 |
1 |
14248 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
5 |
14269 |
98.9 |
-0.7 |
0.466 |
2 |
0 |
0 |
0.000 |
17 |
25 |
|
[SO4]B:4006 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
14665 |
94.5 |
-12.0 |
0.919 |
5 |
0 |
0 |
0.086 |
18 |
26 |
|
[SO4]B:4004 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14665 |
93.9 |
-11.6 |
0.806 |
3 |
0 |
0 |
0.078 |
19 |
27 |
|
[SO4]B:4005 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14665 |
93.8 |
-11.9 |
0.873 |
3 |
0 |
0 |
0.080 |
20 |
28 |
|
[SO4]A:4002 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14611 |
92.8 |
-11.9 |
0.880 |
3 |
0 |
0 |
0.029 |
21 |
29 |
|
[SO4]B:4002 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
14665 |
89.2 |
-12.2 |
0.881 |
5 |
0 |
0 |
0.087 |
22 |
30 |
|
[SO4]C:404 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
14248 |
88.5 |
-11.0 |
0.916 |
4 |
0 |
0 |
0.077 |
23 |
31 |
|
[SO4]A:4004 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
14611 |
87.6 |
-12.5 |
0.880 |
5 |
0 |
0 |
0.033 |
24 |
32 |
|
[SO4]D:403 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
14269 |
86.7 |
-12.7 |
0.737 |
6 |
0 |
0 |
0.048 |
25 |
33 |
|
[SO4]C:403 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
14248 |
86.2 |
-12.5 |
0.744 |
5 |
0 |
0 |
0.089 |
26 |
34 |
|
A |
6 |
2 |
14611 |
x |
A |
x-1,y,z |
1_455 |
8 |
5 |
14611 |
64.4 |
-0.3 |
0.402 |
0 |
0 |
0 |
0.000 |
35 |
|
B |
6 |
1 |
14665 |
x |
B |
x-1,y,z |
1_455 |
7 |
4 |
14665 |
62.8 |
-0.2 |
0.420 |
0 |
0 |
0 |
0.000 |
Average: |
63.6 |
-0.3 |
0.411 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[SO4]C:405 |
4 |
1 |
185 |
f |
B |
x-1,y-1,z+1 |
1_446 |
7 |
4 |
14665 |
59.2 |
-8.1 |
0.805 |
3 |
0 |
0 |
0.057 |
28 |
37 |
|
[SO4]D:403 |
5 |
1 |
184 |
◊ |
B |
x,y-1,z |
1_545 |
7 |
2 |
14665 |
54.3 |
-6.7 |
0.821 |
1 |
0 |
0 |
0.000 |
29 |
38 |
|
[SO4]C:403 |
4 |
1 |
184 |
◊ |
A |
x-1,y,z-1 |
1_454 |
7 |
2 |
14611 |
52.4 |
-6.4 |
0.810 |
1 |
0 |
0 |
0.000 |
30 |
39 |
|
[SO4]C:405 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
14248 |
49.9 |
-5.0 |
0.923 |
2 |
0 |
0 |
0.036 |
31 |
40 |
|
C |
5 |
1 |
14248 |
◊ |
[SO4]B:4006 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
36.9 |
-3.4 |
0.938 |
2 |
0 |
0 |
0.000 |
32 |
41 |
|
[9WG]A:4001 |
2 |
1 |
517 |
f |
D |
x-1,y,z+2 |
1_457 |
3 |
3 |
14269 |
21.7 |
0.6 |
0.492 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
2 |
2 |
14248 |
f |
[9WG]B:4001 |
x-1,y-1,z+1 |
1_446 |
2 |
1 |
517 |
21.7 |
0.5 |
0.436 |
0 |
0 |
0 |
0.000 |
43 |
|
[9WG]C:401 |
2 |
1 |
517 |
f |
B |
x-1,y-1,z+1 |
1_446 |
2 |
2 |
14665 |
19.2 |
0.4 |
0.386 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
2 |
2 |
14611 |
f |
[9WG]D:401 |
x-1,y,z+2 |
1_457 |
2 |
1 |
517 |
18.7 |
0.4 |
0.392 |
0 |
0 |
0 |
0.000 |
Average: |
20.3 |
0.5 |
0.427 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[SO4]B:4005 |
2 |
1 |
184 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
2 |
14611 |
20.0 |
-2.5 |
0.782 |
0 |
0 |
0 |
0.000 |
34 |
46 |
|
[SO4]B:4006 |
2 |
1 |
185 |
f |
[SO4]B:4004 |
x,y,z |
1_555 |
3 |
1 |
185 |
18.0 |
-4.2 |
0.976 |
0 |
0 |
0 |
0.026 |
35 |
47 |
|
[SO4]B:4007 |
1 |
1 |
186 |
f |
[SO4]B:4003 |
x,y,z |
1_555 |
1 |
1 |
185 |
16.1 |
-3.9 |
0.800 |
0 |
0 |
0 |
0.023 |
36 |
48 |
|
C |
1 |
1 |
14248 |
◊ |
[SO4]B:4004 |
x,y-1,z |
1_545 |
1 |
1 |
185 |
0.8 |
-0.1 |
0.864 |
0 |
0 |
0 |
0.000 |
|