## |
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 |
40 |
19299 |
◊ |
B |
x,y,z |
1_555 |
154 |
41 |
19328 |
1385.7 |
-12.7 |
0.215 |
10 |
0 |
0 |
0.376 |
2 |
|
F |
125 |
38 |
19158 |
◊ |
E |
x,y,z |
1_555 |
141 |
36 |
19683 |
1320.6 |
-12.7 |
0.190 |
10 |
3 |
0 |
0.376 |
Average: |
1353.1 |
-12.7 |
0.203 |
10 |
2 |
0 |
0.376 |
2 |
3 |
|
E |
133 |
39 |
19683 |
◊ |
D |
x,y,z |
1_555 |
153 |
41 |
19498 |
1363.7 |
-9.0 |
0.361 |
12 |
4 |
0 |
0.169 |
3 |
4 |
|
B |
112 |
37 |
19328 |
◊ |
A |
x,y,z |
1_555 |
129 |
35 |
20660 |
1139.3 |
-11.4 |
0.189 |
5 |
2 |
0 |
0.323 |
4 |
5 |
|
F |
103 |
26 |
19158 |
◊ |
A |
x,y,z |
1_555 |
96 |
28 |
20660 |
979.8 |
-6.3 |
0.412 |
10 |
5 |
0 |
0.100 |
6 |
|
C |
100 |
28 |
19299 |
◊ |
D |
x,y,z |
1_555 |
83 |
26 |
19498 |
900.8 |
-8.5 |
0.234 |
7 |
0 |
0 |
0.100 |
Average: |
940.3 |
-7.4 |
0.323 |
9 |
3 |
0 |
0.100 |
5 |
7 |
|
F |
76 |
24 |
19158 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
85 |
26 |
19299 |
751.8 |
-12.5 |
0.061 |
3 |
0 |
0 |
0.027 |
6 |
8 |
|
A |
78 |
24 |
20660 |
◊ |
D |
x-1,y,z |
1_455 |
77 |
22 |
19498 |
664.7 |
-1.1 |
0.649 |
3 |
0 |
0 |
0.000 |
7 |
9 |
|
D |
68 |
17 |
19498 |
◊ |
D |
-x+1,y,-z+5/2 |
3_657 |
68 |
17 |
19498 |
590.5 |
-4.4 |
0.369 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
48 |
11 |
19328 |
◊ |
E |
x-1/2,y+1/2,z |
5_455 |
53 |
15 |
19683 |
484.4 |
-6.6 |
0.116 |
5 |
0 |
0 |
0.000 |
9 |
11 |
|
A |
57 |
17 |
20660 |
◊ |
A |
-x,y,-z+5/2 |
3_557 |
56 |
16 |
20660 |
463.0 |
0.8 |
0.754 |
8 |
4 |
0 |
0.000 |
10 |
12 |
|
[ADP]E:503 |
27 |
1 |
560 |
f |
E |
x,y,z |
1_555 |
48 |
19 |
19683 |
345.5 |
-3.7 |
0.600 |
11 |
0 |
0 |
0.219 |
13 |
|
[ADP]B:501 |
27 |
1 |
561 |
f |
B |
x,y,z |
1_555 |
51 |
17 |
19328 |
344.4 |
-3.2 |
0.651 |
14 |
0 |
0 |
0.219 |
Average: |
344.9 |
-3.5 |
0.626 |
13 |
0 |
0 |
0.219 |
11 |
14 |
|
E |
38 |
10 |
19683 |
◊ |
D |
x,-y+2,-z+2 |
4_577 |
28 |
9 |
19498 |
244.6 |
-0.2 |
0.657 |
6 |
0 |
0 |
0.012 |
12 |
15 |
|
F |
18 |
6 |
19158 |
◊ |
B |
x,-y+2,-z+2 |
4_577 |
19 |
7 |
19328 |
147.0 |
0.5 |
0.597 |
2 |
0 |
0 |
0.002 |
13 |
16 |
|
[SO4]F:501 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
19158 |
111.8 |
-18.0 |
0.684 |
5 |
0 |
0 |
0.250 |
14 |
17 |
|
[SO4]A:501 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
20660 |
111.7 |
-17.9 |
0.601 |
4 |
0 |
0 |
0.458 |
15 |
18 |
|
[SO4]D:501 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
19498 |
105.0 |
-16.8 |
0.695 |
6 |
0 |
0 |
0.219 |
16 |
19 |
|
[SO4]E:501 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
16 |
6 |
19683 |
103.6 |
-14.9 |
0.857 |
7 |
0 |
0 |
0.223 |
17 |
20 |
|
[SO4]C:501 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
19299 |
102.7 |
-16.5 |
0.705 |
3 |
0 |
0 |
0.391 |
18 |
21 |
|
B |
12 |
6 |
19328 |
◊ |
C |
x-1/2,-y+5/2,-z+2 |
8_477 |
16 |
4 |
19299 |
96.8 |
-2.2 |
0.230 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[SO4]E:502 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
19683 |
95.2 |
-13.9 |
0.837 |
2 |
0 |
0 |
0.184 |
20 |
23 |
|
[SO4]D:502 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
19498 |
83.4 |
-11.8 |
0.609 |
2 |
0 |
0 |
0.144 |
21 |
24 |
|
[ADP]B:501 |
7 |
1 |
561 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
19299 |
59.4 |
-1.2 |
0.597 |
0 |
0 |
0 |
0.026 |
25 |
|
[ADP]E:503 |
7 |
1 |
560 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
19158 |
54.6 |
-1.4 |
0.575 |
0 |
0 |
0 |
0.026 |
Average: |
57.0 |
-1.3 |
0.586 |
0 |
0 |
0 |
0.026 |
22 |
26 |
|
C |
5 |
3 |
19299 |
◊ |
E |
x-1/2,y+1/2,z |
5_455 |
6 |
3 |
19683 |
53.9 |
-1.0 |
0.284 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
B |
8 |
5 |
19328 |
◊ |
F |
x-1/2,y+1/2,z |
5_455 |
10 |
4 |
19158 |
51.1 |
0.9 |
0.793 |
0 |
1 |
0 |
0.000 |
24 |
28 |
|
D |
4 |
2 |
19498 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
20660 |
42.2 |
0.9 |
0.822 |
1 |
1 |
0 |
0.000 |
25 |
29 |
|
[SO4]D:502 |
3 |
1 |
185 |
◊ |
D |
-x+1,y,-z+5/2 |
3_657 |
3 |
1 |
19498 |
22.6 |
-3.1 |
0.544 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
E |
1 |
1 |
19683 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20660 |
5.4 |
0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
31 |
|
B |
1 |
1 |
19328 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19498 |
4.7 |
-0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
Average: |
5.0 |
0.1 |
0.514 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[SO4]E:502 |
1 |
1 |
184 |
◊ |
D |
x,-y+2,-z+2 |
4_577 |
1 |
1 |
19498 |
4.6 |
-0.6 |
0.562 |
0 |
0 |
0 |
0.003 |
|