| ## |
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 |
|
E |
140 |
39 |
6615 |
◊ |
A |
x,y,z |
1_555 |
94 |
17 |
2244 |
1169.3 |
-13.1 |
0.426 |
18 |
3 |
0 |
0.790 |
2 |
|
F |
143 |
40 |
6839 |
◊ |
B |
x,y,z |
1_555 |
94 |
18 |
2269 |
1169.2 |
-14.3 |
0.301 |
17 |
3 |
0 |
0.790 |
3 |
|
H |
144 |
41 |
6761 |
◊ |
D |
x,y,z |
1_555 |
93 |
17 |
2171 |
1156.2 |
-12.2 |
0.453 |
18 |
2 |
0 |
0.790 |
4 |
|
G |
140 |
41 |
6660 |
◊ |
C |
x,y,z |
1_555 |
92 |
16 |
2191 |
1136.7 |
-12.4 |
0.435 |
20 |
3 |
0 |
0.790 |
| Average: |
1157.8 |
-13.0 |
0.404 |
18 |
3 |
0 |
0.790 |
| 2 |
5 |
|
F |
36 |
12 |
6839 |
◊ |
E |
x,y,z |
1_555 |
44 |
13 |
6615 |
415.9 |
-10.8 |
0.081 |
0 |
0 |
0 |
0.469 |
6 |
|
H |
37 |
11 |
6761 |
◊ |
G |
x,y,z |
1_555 |
35 |
12 |
6660 |
370.7 |
-9.5 |
0.100 |
0 |
0 |
0 |
0.469 |
| Average: |
393.3 |
-10.1 |
0.091 |
0 |
0 |
0 |
0.469 |
| 3 |
7 |
|
G |
25 |
10 |
6660 |
◊ |
H |
y,x-1,-z |
4_545 |
27 |
8 |
6761 |
284.7 |
-8.2 |
0.076 |
1 |
0 |
0 |
0.174 |
8 |
|
F |
27 |
8 |
6839 |
◊ |
E |
x-y-1,-y-1,-z+1/3 |
5_445 |
26 |
9 |
6615 |
270.5 |
-8.1 |
0.083 |
1 |
0 |
0 |
0.174 |
| Average: |
277.6 |
-8.1 |
0.079 |
1 |
0 |
0 |
0.174 |
| 4 |
9 |
|
F |
28 |
8 |
6839 |
◊ |
G |
x-y-1,-y-1,-z+1/3 |
5_445 |
26 |
7 |
6660 |
251.6 |
4.3 |
0.959 |
7 |
9 |
0 |
0.000 |
| 5 |
10 |
|
E |
21 |
6 |
6615 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
2269 |
203.7 |
-1.9 |
0.392 |
5 |
0 |
0 |
0.054 |
11 |
|
G |
19 |
6 |
6660 |
◊ |
D |
x,y,z |
1_555 |
25 |
5 |
2171 |
198.8 |
-1.9 |
0.381 |
3 |
0 |
0 |
0.054 |
| Average: |
201.3 |
-1.9 |
0.386 |
4 |
0 |
0 |
0.054 |
| 6 |
12 |
|
C |
23 |
6 |
2191 |
◊ |
H |
y,x-1,-z |
4_545 |
21 |
6 |
6761 |
197.9 |
-2.0 |
0.472 |
3 |
0 |
0 |
0.050 |
13 |
|
F |
19 |
6 |
6839 |
◊ |
A |
x-y-1,-y-1,-z+1/3 |
5_445 |
20 |
5 |
2244 |
171.5 |
-2.8 |
0.284 |
2 |
0 |
0 |
0.050 |
| Average: |
184.7 |
-2.4 |
0.378 |
3 |
0 |
0 |
0.050 |
| 7 |
14 |
|
G |
19 |
5 |
6660 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
6615 |
166.9 |
3.2 |
0.923 |
3 |
4 |
0 |
0.000 |
| 8 |
15 |
|
[MPD]G:65 |
6 |
1 |
283 |
f |
H |
y,x-1,-z |
4_545 |
26 |
6 |
6761 |
129.4 |
-8.4 |
0.755 |
0 |
0 |
0 |
0.170 |
| 9 |
16 |
|
H |
10 |
3 |
6761 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
6615 |
117.9 |
2.8 |
0.933 |
2 |
4 |
0 |
0.000 |
| 10 |
17 |
|
G |
8 |
3 |
6660 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
2244 |
98.9 |
-0.8 |
0.585 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[SO4]H:64 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
6761 |
75.4 |
-8.9 |
0.938 |
6 |
0 |
0 |
0.234 |
| 12 |
19 |
|
F |
9 |
2 |
6839 |
◊ |
D |
x-y-1,-y-1,-z+1/3 |
5_445 |
8 |
3 |
2171 |
65.5 |
-0.2 |
0.568 |
1 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[SO4]H:69 |
4 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
8 |
3 |
6761 |
62.3 |
-7.1 |
0.896 |
1 |
0 |
0 |
0.153 |
| 14 |
21 |
|
[MPD]G:65 |
5 |
1 |
283 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
6660 |
57.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.074 |
| 15 |
22 |
|
[SO4]E:66 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
6615 |
57.0 |
-5.9 |
0.937 |
1 |
0 |
0 |
0.273 |
| 16 |
23 |
|
[SO4]G:68 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
6 |
3 |
6660 |
52.3 |
-5.4 |
0.931 |
3 |
0 |
0 |
0.238 |
| 17 |
24 |
|
[SO4]F:67 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
6839 |
49.3 |
-5.1 |
0.933 |
2 |
0 |
0 |
0.257 |
| 18 |
25 |
|
[SO4]E:66 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
2244 |
39.6 |
-4.1 |
0.920 |
2 |
0 |
0 |
0.152 |
| 19 |
26 |
|
D |
2 |
1 |
2171 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2191 |
13.8 |
0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
2 |
1 |
2269 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2244 |
11.2 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
| Average: |
12.5 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[SO4]H:69 |
2 |
1 |
186 |
f |
[SO4]H:64 |
x,y,z |
1_555 |
3 |
1 |
186 |
13.3 |
-2.9 |
0.976 |
0 |
0 |
0 |
0.059 |
| 21 |
29 |
|
[SO4]H:64 |
1 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
6615 |
10.2 |
-1.1 |
0.831 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
F |
3 |
1 |
6839 |
◊ |
[SO4]H:64 |
x-y-1,-y-1,-z+1/3 |
5_445 |
3 |
1 |
186 |
8.0 |
-0.8 |
0.865 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
F |
2 |
1 |
6839 |
◊ |
H |
x-y-1,-y-1,-z+1/3 |
5_445 |
4 |
1 |
6761 |
6.3 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
F |
1 |
1 |
6839 |
◊ |
[SO4]H:69 |
x-y-1,-y-1,-z+1/3 |
5_445 |
2 |
1 |
186 |
5.6 |
-0.8 |
0.622 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
E |
1 |
1 |
6615 |
◊ |
D |
x-y-1,-y-1,-z+1/3 |
5_445 |
1 |
1 |
2171 |
2.6 |
-0.1 |
0.515 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
C |
1 |
1 |
2191 |
◊ |
D |
y,x-1,-z |
4_545 |
1 |
1 |
2171 |
2.1 |
-0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[SO4]H:69 |
1 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
6615 |
1.9 |
-0.3 |
0.723 |
0 |
0 |
0 |
0.000 |
|