| ## |
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 |
127 |
12 |
3037 |
◊ |
A |
x,y,z |
1_555 |
140 |
47 |
27571 |
1187.4 |
-7.3 |
0.382 |
14 |
0 |
0 |
0.366 |
2 |
|
F |
125 |
12 |
3044 |
◊ |
D |
x,y,z |
1_555 |
136 |
47 |
27263 |
1182.4 |
-6.9 |
0.420 |
14 |
0 |
0 |
0.366 |
| Average: |
1184.9 |
-7.1 |
0.401 |
14 |
0 |
0 |
0.366 |
| 2 |
3 |
|
D |
90 |
22 |
27263 |
◊ |
A |
-x+5/2,-y,z-1/2 |
2_754 |
88 |
21 |
27571 |
808.9 |
-3.7 |
0.316 |
5 |
1 |
0 |
0.000 |
| 3 |
4 |
|
D |
89 |
24 |
27263 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
93 |
27 |
27263 |
794.6 |
3.5 |
0.747 |
1 |
5 |
0 |
0.000 |
| 4 |
5 |
|
D |
73 |
21 |
27263 |
◊ |
A |
-x+5/2,-y-1,z-1/2 |
2_744 |
70 |
20 |
27571 |
652.9 |
-6.3 |
0.138 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
E |
64 |
6 |
1896 |
◊ |
D |
x,y,z |
1_555 |
78 |
25 |
27263 |
635.1 |
-12.2 |
0.243 |
10 |
0 |
0 |
0.441 |
7 |
|
B |
64 |
6 |
1917 |
◊ |
A |
x,y,z |
1_555 |
79 |
26 |
27571 |
627.1 |
-12.4 |
0.234 |
9 |
0 |
0 |
0.441 |
| Average: |
631.1 |
-12.3 |
0.239 |
10 |
0 |
0 |
0.441 |
| 6 |
8 |
|
D |
57 |
20 |
27263 |
◊ |
A |
x,y,z |
1_555 |
65 |
18 |
27571 |
499.5 |
1.9 |
0.692 |
1 |
1 |
0 |
0.000 |
| 7 |
9 |
|
A |
48 |
13 |
27571 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
53 |
18 |
27263 |
464.9 |
-0.9 |
0.460 |
3 |
1 |
0 |
0.000 |
| 8 |
10 |
|
C |
37 |
9 |
3037 |
◊ |
B |
x,y,z |
1_555 |
41 |
8 |
1917 |
371.3 |
-4.5 |
0.560 |
13 |
0 |
0 |
1.000 |
11 |
|
F |
36 |
9 |
3044 |
◊ |
E |
x,y,z |
1_555 |
41 |
8 |
1896 |
369.9 |
-4.6 |
0.543 |
13 |
0 |
0 |
1.000 |
| Average: |
370.6 |
-4.5 |
0.551 |
13 |
0 |
0 |
1.000 |
| 9 |
12 |
|
[D3T]A:201 |
27 |
1 |
544 |
f |
A |
x,y,z |
1_555 |
44 |
19 |
27571 |
297.9 |
-1.7 |
0.449 |
8 |
0 |
0 |
0.141 |
13 |
|
[D3T]D:202 |
25 |
1 |
545 |
f |
D |
x,y,z |
1_555 |
42 |
17 |
27263 |
293.6 |
-1.4 |
0.455 |
8 |
0 |
0 |
0.141 |
| Average: |
295.7 |
-1.5 |
0.452 |
8 |
0 |
0 |
0.141 |
| 10 |
14 |
|
D |
30 |
11 |
27263 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
27 |
8 |
27571 |
226.2 |
2.8 |
0.819 |
1 |
1 |
0 |
0.000 |
| 11 |
15 |
|
B |
19 |
3 |
1917 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
18 |
3 |
1896 |
161.9 |
0.5 |
0.723 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[2DT]B:29 |
11 |
1 |
424 |
◊ |
A |
x,y,z |
1_555 |
18 |
10 |
27571 |
149.7 |
1.8 |
0.638 |
2 |
0 |
0 |
0.000 |
17 |
|
[2DT]E:29 |
11 |
1 |
423 |
◊ |
D |
x,y,z |
1_555 |
19 |
11 |
27263 |
143.5 |
1.7 |
0.617 |
1 |
0 |
0 |
0.000 |
| Average: |
146.6 |
1.7 |
0.627 |
2 |
0 |
0 |
0.000 |
| 13 |
18 |
|
C |
13 |
1 |
3037 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
13 |
1 |
3044 |
107.5 |
1.7 |
0.715 |
0 |
0 |
0 |
0.000 |
| 14 |
19 |
|
A |
11 |
5 |
27571 |
x |
A |
-x+3,y-1/2,-z+1/2 |
3_845 |
15 |
5 |
27571 |
102.3 |
-0.0 |
0.561 |
1 |
1 |
0 |
0.000 |
| 15 |
20 |
|
[2DT]E:29 |
14 |
1 |
423 |
cf |
E |
x,y,z |
1_555 |
12 |
1 |
1896 |
98.8 |
1.2 |
0.564 |
0 |
0 |
0 |
0.000 |
21 |
|
[2DT]B:29 |
15 |
1 |
424 |
cf |
B |
x,y,z |
1_555 |
12 |
1 |
1917 |
98.0 |
1.2 |
0.552 |
0 |
0 |
0 |
0.000 |
| Average: |
98.4 |
1.2 |
0.558 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[SO4]D:3 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
27263 |
94.8 |
-12.8 |
0.812 |
3 |
0 |
0 |
0.274 |
| 17 |
23 |
|
[2DT]E:29 |
13 |
1 |
423 |
◊ |
[D3T]D:202 |
x,y,z |
1_555 |
16 |
1 |
545 |
92.4 |
1.7 |
0.583 |
0 |
0 |
0 |
0.000 |
24 |
|
[2DT]B:29 |
13 |
1 |
424 |
◊ |
[D3T]A:201 |
x,y,z |
1_555 |
16 |
1 |
544 |
91.3 |
1.8 |
0.593 |
0 |
0 |
0 |
0.000 |
| Average: |
91.9 |
1.7 |
0.588 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[D3T]D:202 |
9 |
1 |
545 |
◊ |
F |
x,y,z |
1_555 |
9 |
2 |
3044 |
74.4 |
2.0 |
0.736 |
1 |
0 |
0 |
0.000 |
26 |
|
[D3T]A:201 |
9 |
1 |
544 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
3037 |
71.4 |
1.8 |
0.728 |
1 |
0 |
0 |
0.000 |
| Average: |
72.9 |
1.9 |
0.732 |
1 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[2DT]E:29 |
10 |
1 |
423 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
3044 |
74.3 |
1.7 |
0.597 |
1 |
0 |
0 |
0.000 |
28 |
|
[2DT]B:29 |
10 |
1 |
424 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
3037 |
72.5 |
1.7 |
0.588 |
1 |
0 |
0 |
0.000 |
| Average: |
73.4 |
1.7 |
0.593 |
1 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[SO4]D:1 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
27263 |
71.6 |
-9.3 |
0.883 |
3 |
0 |
0 |
0.207 |
| 21 |
30 |
|
[SO4]A:2 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
27571 |
66.8 |
-8.5 |
0.877 |
2 |
0 |
0 |
0.254 |
| 22 |
31 |
|
A |
7 |
3 |
27571 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
8 |
3 |
27571 |
65.3 |
-0.4 |
0.458 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
8 |
4 |
27263 |
x |
D |
-x+3,y-1/2,-z-1/2 |
3_844 |
8 |
3 |
27263 |
58.1 |
-0.5 |
0.435 |
0 |
0 |
0 |
0.000 |
| Average: |
61.7 |
-0.4 |
0.446 |
0 |
0 |
0 |
0.000 |
| 23 |
33 |
|
C |
6 |
1 |
3037 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
6 |
1 |
1896 |
44.0 |
-0.4 |
0.509 |
1 |
0 |
0 |
0.000 |
34 |
|
B |
6 |
1 |
1917 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
3044 |
39.9 |
-0.5 |
0.496 |
0 |
0 |
0 |
0.000 |
| Average: |
42.0 |
-0.4 |
0.503 |
1 |
0 |
0 |
0.000 |
| 24 |
35 |
|
D |
3 |
2 |
27263 |
◊ |
[SO4]D:1 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
185 |
43.3 |
-4.1 |
0.970 |
2 |
0 |
0 |
0.000 |
| 25 |
36 |
|
D |
4 |
1 |
27263 |
◊ |
[SO4]A:2 |
-x+5/2,-y,z-1/2 |
2_754 |
3 |
1 |
186 |
36.6 |
-3.5 |
0.949 |
1 |
0 |
0 |
0.000 |
| 26 |
37 |
|
[MG]D:2 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
27263 |
35.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.135 |
38 |
|
[MG]A:1 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
27571 |
35.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.135 |
| Average: |
35.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.135 |
| 27 |
39 |
|
[D3T]D:202 |
4 |
1 |
545 |
f |
[MG]D:2 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.141 |
40 |
|
[D3T]A:201 |
4 |
1 |
544 |
f |
[MG]A:1 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.141 |
| Average: |
33.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.141 |
| 28 |
41 |
|
B |
1 |
1 |
1917 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
27263 |
25.8 |
-0.6 |
0.358 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
2 |
1 |
27571 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
1896 |
15.2 |
0.6 |
0.808 |
0 |
0 |
0 |
0.000 |
| Average: |
20.5 |
0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 29 |
43 |
|
A |
1 |
1 |
27571 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
3044 |
5.1 |
0.1 |
0.424 |
0 |
0 |
0 |
0.000 |
| 30 |
44 |
|
[2DT]B:29 |
1 |
1 |
424 |
◊ |
[MG]A:1 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
45 |
|
[2DT]E:29 |
1 |
1 |
423 |
◊ |
[MG]D:2 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.7 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
0.9 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
|