## |
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 |
|
H |
105 |
28 |
4526 |
◊ |
G |
x,y,z |
1_555 |
110 |
30 |
4571 |
1122.9 |
-22.1 |
0.112 |
13 |
0 |
0 |
1.000 |
2 |
|
D |
93 |
28 |
4330 |
◊ |
C |
x,y,z |
1_555 |
100 |
28 |
4432 |
1038.3 |
-19.0 |
0.187 |
13 |
0 |
0 |
1.000 |
Average: |
1080.6 |
-20.6 |
0.149 |
13 |
0 |
0 |
1.000 |
2 |
3 |
|
F |
70 |
20 |
4423 |
◊ |
E |
x,y,z |
1_555 |
86 |
26 |
7771 |
791.8 |
-8.9 |
0.224 |
11 |
0 |
0 |
0.915 |
4 |
|
B |
70 |
21 |
4327 |
◊ |
A |
x,y,z |
1_555 |
82 |
24 |
7704 |
765.2 |
-8.1 |
0.487 |
9 |
0 |
0 |
0.915 |
Average: |
778.5 |
-8.5 |
0.356 |
10 |
0 |
0 |
0.915 |
3 |
5 |
|
H |
52 |
16 |
4526 |
◊ |
D |
x,y-1,z |
1_545 |
56 |
16 |
4330 |
541.4 |
-2.1 |
0.699 |
3 |
2 |
0 |
0.082 |
4 |
6 |
|
G |
53 |
17 |
4571 |
◊ |
E |
x,y,z |
1_555 |
51 |
15 |
7771 |
512.9 |
-3.1 |
0.578 |
4 |
1 |
0 |
0.000 |
7 |
|
C |
51 |
17 |
4432 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
7704 |
453.7 |
-4.2 |
0.506 |
4 |
1 |
0 |
0.000 |
Average: |
483.3 |
-3.6 |
0.542 |
4 |
1 |
0 |
0.000 |
5 |
8 |
|
C |
41 |
14 |
4432 |
◊ |
B |
x,y,z |
1_555 |
38 |
14 |
4327 |
399.8 |
-2.0 |
0.703 |
5 |
0 |
0 |
0.000 |
9 |
|
G |
40 |
12 |
4571 |
◊ |
F |
x,y,z |
1_555 |
35 |
13 |
4423 |
396.0 |
-2.0 |
0.394 |
3 |
0 |
0 |
0.000 |
Average: |
397.9 |
-2.0 |
0.549 |
4 |
0 |
0 |
0.000 |
6 |
10 |
|
A |
48 |
12 |
7704 |
◊ |
E |
x,y-1,z+1 |
1_546 |
34 |
8 |
7771 |
339.3 |
1.4 |
0.843 |
3 |
0 |
0 |
0.000 |
7 |
11 |
|
A |
32 |
7 |
7704 |
◊ |
H |
x-1,y,z+1 |
1_456 |
25 |
9 |
4526 |
257.0 |
-0.7 |
0.675 |
3 |
3 |
0 |
0.000 |
8 |
12 |
|
G |
22 |
6 |
4571 |
◊ |
A |
x,y,z-1 |
1_554 |
27 |
9 |
7704 |
252.6 |
-5.9 |
0.159 |
1 |
0 |
0 |
0.000 |
13 |
|
E |
27 |
9 |
7771 |
◊ |
C |
x,y,z-1 |
1_554 |
20 |
5 |
4432 |
237.9 |
-6.5 |
0.108 |
1 |
0 |
0 |
0.000 |
Average: |
245.2 |
-6.2 |
0.134 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
A |
27 |
9 |
7704 |
◊ |
G |
x-1,y,z+1 |
1_456 |
23 |
8 |
4571 |
235.6 |
-2.5 |
0.536 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
E |
27 |
5 |
7771 |
◊ |
H |
x-1,y+1,z |
1_465 |
25 |
7 |
4526 |
230.4 |
-0.5 |
0.683 |
3 |
2 |
0 |
0.000 |
11 |
16 |
|
E |
21 |
6 |
7771 |
◊ |
D |
x,y,z-1 |
1_554 |
20 |
6 |
4330 |
197.8 |
-3.3 |
0.296 |
0 |
0 |
0 |
0.000 |
17 |
|
H |
21 |
7 |
4526 |
◊ |
A |
x,y,z-1 |
1_554 |
21 |
7 |
7704 |
192.9 |
-3.3 |
0.272 |
0 |
0 |
0 |
0.000 |
Average: |
195.3 |
-3.3 |
0.284 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
E |
21 |
6 |
7771 |
◊ |
D |
x-1,y,z |
1_455 |
20 |
5 |
4330 |
168.5 |
-1.2 |
0.569 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
H |
13 |
4 |
4526 |
◊ |
F |
x,y,z |
1_555 |
17 |
7 |
4423 |
151.8 |
-1.7 |
0.345 |
1 |
0 |
0 |
0.000 |
20 |
|
D |
15 |
4 |
4330 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
4327 |
150.8 |
-1.6 |
0.426 |
1 |
0 |
0 |
0.000 |
Average: |
151.3 |
-1.7 |
0.385 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
E |
12 |
5 |
7771 |
◊ |
A |
x,y,z-1 |
1_554 |
13 |
6 |
7704 |
129.0 |
0.3 |
0.705 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[SO4]H:503 |
5 |
1 |
186 |
f |
D |
x,y-1,z |
1_545 |
9 |
5 |
4330 |
82.0 |
-9.3 |
0.944 |
7 |
0 |
0 |
0.274 |
16 |
23 |
|
[SO4]H:503 |
5 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
4526 |
78.2 |
-8.5 |
0.941 |
3 |
0 |
0 |
0.217 |
17 |
24 |
|
F |
8 |
4 |
4423 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
4327 |
67.2 |
-0.2 |
0.645 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[SO4]D:503 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
4330 |
66.7 |
-8.0 |
0.866 |
4 |
0 |
0 |
0.217 |
19 |
26 |
|
H |
9 |
4 |
4526 |
◊ |
[SO4]D:503 |
x,y-1,z |
1_545 |
5 |
1 |
186 |
63.9 |
-8.1 |
0.869 |
3 |
0 |
0 |
0.209 |
20 |
27 |
|
E |
6 |
2 |
7771 |
◊ |
[SO4]D:503 |
x-1,y,z |
1_455 |
4 |
1 |
186 |
38.3 |
-3.9 |
0.857 |
2 |
0 |
0 |
0.000 |
21 |
28 |
|
F |
4 |
1 |
4423 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
2 |
4330 |
30.7 |
-0.2 |
0.550 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
A |
1 |
1 |
7704 |
f |
[ZN]H:501 |
x-1,y,z+1 |
1_456 |
1 |
1 |
98 |
18.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.392 |
23 |
30 |
|
D |
2 |
1 |
4330 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
7771 |
9.3 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
C |
1 |
1 |
4432 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
4423 |
6.8 |
0.1 |
0.781 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[ZN]G:502 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
4423 |
3.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.100 |
33 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
4327 |
2.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
2.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.100 |
26 |
34 |
|
G |
1 |
1 |
4571 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4432 |
2.7 |
-0.1 |
0.523 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
B |
1 |
1 |
4327 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
7771 |
1.3 |
0.0 |
0.742 |
0 |
0 |
0 |
0.000 |
|