| ## |
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 |
|
D |
259 |
44 |
5583 |
◊ |
B |
x,y,z |
1_555 |
366 |
90 |
11663 |
3087.0 |
-29.7 |
0.528 |
65 |
7 |
0 |
0.583 |
2 |
|
C |
247 |
43 |
5462 |
◊ |
A |
x,y,z |
1_555 |
346 |
87 |
11199 |
2950.2 |
-34.0 |
0.384 |
56 |
3 |
0 |
0.583 |
| Average: |
3018.6 |
-31.8 |
0.456 |
61 |
5 |
0 |
0.583 |
| 2 |
3 |
|
A |
81 |
21 |
11199 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
81 |
21 |
11199 |
726.3 |
5.3 |
0.954 |
12 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
72 |
21 |
11663 |
◊ |
B |
x,-y,-z |
4_555 |
72 |
21 |
11663 |
650.9 |
3.3 |
0.887 |
6 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
61 |
18 |
11199 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
66 |
20 |
11663 |
608.6 |
-6.5 |
0.300 |
2 |
0 |
0 |
0.000 |
6 |
|
B |
62 |
19 |
11663 |
◊ |
A |
x,y,z |
1_555 |
65 |
17 |
11199 |
572.9 |
-5.9 |
0.333 |
2 |
0 |
0 |
0.000 |
| Average: |
590.7 |
-6.2 |
0.317 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
D |
24 |
9 |
5583 |
◊ |
D |
x,-y,-z |
4_555 |
24 |
9 |
5583 |
319.0 |
0.6 |
0.875 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
B |
20 |
4 |
11663 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
20 |
4 |
11663 |
194.1 |
0.4 |
0.711 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
C |
19 |
8 |
5462 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
19 |
8 |
5462 |
170.8 |
3.8 |
0.971 |
6 |
0 |
0 |
0.000 |
| 8 |
10 |
|
D |
13 |
7 |
5583 |
◊ |
B |
x,-y,-z |
4_555 |
18 |
6 |
11663 |
150.7 |
-1.9 |
0.383 |
1 |
1 |
0 |
0.000 |
| 9 |
11 |
|
C |
14 |
6 |
5462 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
15 |
4 |
11199 |
124.9 |
-2.1 |
0.349 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[SO4]B:1202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11663 |
115.9 |
-18.5 |
0.685 |
6 |
0 |
0 |
0.207 |
| 11 |
13 |
|
[BCT]B:1205 |
4 |
1 |
162 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
11663 |
105.2 |
-0.0 |
0.510 |
2 |
0 |
0 |
0.009 |
| 12 |
14 |
|
[BCT]A:1203 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
11199 |
104.9 |
1.1 |
0.644 |
3 |
0 |
0 |
0.002 |
| 13 |
15 |
|
[SO4]A:1202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
11199 |
101.8 |
-16.2 |
0.849 |
7 |
0 |
0 |
0.187 |
| 14 |
16 |
|
C |
6 |
3 |
5462 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
8 |
5 |
11663 |
92.3 |
-1.2 |
0.352 |
0 |
0 |
0 |
0.000 |
17 |
|
D |
5 |
3 |
5583 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
11199 |
59.9 |
-0.8 |
0.475 |
0 |
0 |
0 |
0.000 |
| Average: |
76.1 |
-1.0 |
0.414 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[SO4]C:1201 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
11199 |
76.4 |
-8.4 |
0.904 |
4 |
0 |
0 |
0.099 |
| 16 |
19 |
|
[GOL]C:1202 |
6 |
1 |
223 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
5462 |
76.1 |
0.2 |
0.626 |
3 |
0 |
0 |
0.011 |
| 17 |
20 |
|
[GOL]C:1202 |
6 |
1 |
223 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
10 |
6 |
5462 |
72.5 |
0.4 |
0.640 |
2 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[SO4]B:1203 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11663 |
71.2 |
-8.3 |
0.884 |
2 |
0 |
0 |
0.090 |
| 19 |
22 |
|
[SO4]C:1201 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
5462 |
70.2 |
-10.1 |
0.740 |
1 |
0 |
0 |
0.102 |
| 20 |
23 |
|
[SO4]B:1203 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
5583 |
69.5 |
-9.9 |
0.811 |
1 |
0 |
0 |
0.102 |
| 21 |
24 |
|
[GOL]C:1202 |
4 |
1 |
223 |
◊ |
[GOL]C:1202 |
-x,y,-z+1/2 |
3_555 |
4 |
1 |
223 |
65.2 |
-0.3 |
0.444 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
C |
3 |
1 |
5462 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
9 |
3 |
11663 |
63.3 |
-1.6 |
0.195 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
A |
6 |
2 |
11199 |
◊ |
D |
x-1/2,-y-1/2,-z |
8_445 |
3 |
1 |
5583 |
58.0 |
-1.8 |
0.170 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
A |
6 |
2 |
11199 |
◊ |
A |
x,-y-1,-z |
4_545 |
6 |
2 |
11199 |
53.6 |
1.0 |
0.834 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
C |
4 |
1 |
5462 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11663 |
51.9 |
-0.3 |
0.447 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
5 |
2 |
11199 |
◊ |
D |
x-1/2,y-1/2,z |
5_445 |
3 |
1 |
5583 |
38.8 |
-0.5 |
0.426 |
0 |
0 |
0 |
0.000 |
| Average: |
45.4 |
-0.4 |
0.437 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
A |
5 |
3 |
11199 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
7 |
3 |
11663 |
41.4 |
-0.0 |
0.635 |
1 |
1 |
0 |
0.000 |
| 27 |
31 |
|
B |
1 |
1 |
11663 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
4 |
1 |
11199 |
31.1 |
1.4 |
0.836 |
1 |
2 |
0 |
0.000 |
| 28 |
32 |
|
[SO4]A:1202 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
5462 |
20.0 |
-2.3 |
0.885 |
1 |
0 |
0 |
0.027 |
| 29 |
33 |
|
[BCT]B:1205 |
1 |
1 |
162 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5583 |
15.8 |
0.4 |
0.459 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
[SO4]B:1202 |
2 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
5583 |
12.2 |
-1.3 |
0.853 |
0 |
0 |
0 |
0.013 |
| 31 |
35 |
|
D |
3 |
1 |
5583 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
11663 |
11.9 |
0.0 |
0.712 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[SO4]A:1202 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
11663 |
11.1 |
-1.1 |
0.830 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[BCT]A:1203 |
1 |
1 |
161 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5462 |
10.3 |
0.2 |
0.428 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
A |
1 |
1 |
11199 |
◊ |
[SO4]B:1202 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
186 |
5.3 |
-0.6 |
0.785 |
0 |
0 |
0 |
0.000 |
|