| ## |
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 |
251 |
43 |
5440 |
◊ |
B |
x,y,z |
1_555 |
368 |
90 |
11391 |
2995.7 |
-31.5 |
0.437 |
62 |
6 |
0 |
0.544 |
2 |
|
C |
245 |
43 |
5480 |
◊ |
A |
x,y,z |
1_555 |
348 |
87 |
11179 |
2962.7 |
-33.5 |
0.360 |
58 |
3 |
0 |
0.544 |
| Average: |
2979.2 |
-32.5 |
0.399 |
60 |
5 |
0 |
0.544 |
| 2 |
3 |
|
A |
85 |
21 |
11179 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
86 |
22 |
11179 |
718.0 |
5.1 |
0.948 |
8 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
74 |
21 |
11391 |
◊ |
B |
x,-y,-z |
4_555 |
74 |
21 |
11391 |
676.4 |
2.4 |
0.865 |
10 |
2 |
0 |
0.000 |
| 4 |
5 |
|
A |
59 |
18 |
11179 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
61 |
19 |
11391 |
584.3 |
-7.6 |
0.220 |
3 |
0 |
0 |
0.004 |
| 5 |
6 |
|
B |
59 |
19 |
11391 |
◊ |
A |
x,y,z |
1_555 |
63 |
18 |
11179 |
564.6 |
-5.4 |
0.375 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
D |
25 |
8 |
5440 |
◊ |
D |
x,-y,-z |
4_555 |
25 |
8 |
5440 |
307.4 |
-1.0 |
0.779 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[16S]A:1204 |
19 |
1 |
426 |
f |
A |
x,y,z |
1_555 |
52 |
16 |
11179 |
302.3 |
-6.5 |
0.359 |
2 |
0 |
0 |
0.067 |
9 |
|
[16S]B:1204 |
19 |
1 |
426 |
f |
B |
x,y,z |
1_555 |
51 |
17 |
11391 |
300.0 |
-6.0 |
0.393 |
2 |
0 |
0 |
0.067 |
| Average: |
301.2 |
-6.3 |
0.376 |
2 |
0 |
0 |
0.067 |
| 8 |
10 |
|
C |
21 |
8 |
5480 |
◊ |
C |
-x,y,-z-1/2 |
3_554 |
20 |
8 |
5480 |
162.5 |
3.5 |
0.963 |
8 |
0 |
0 |
0.000 |
| 9 |
11 |
|
D |
15 |
7 |
5440 |
◊ |
B |
x,-y,-z |
4_555 |
16 |
6 |
11391 |
150.0 |
-1.9 |
0.354 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
C |
11 |
5 |
5480 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
14 |
4 |
11179 |
119.2 |
-2.2 |
0.299 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[SO4]B:1202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
11391 |
115.9 |
-18.5 |
0.678 |
7 |
0 |
0 |
0.196 |
| 12 |
14 |
|
B |
11 |
4 |
11391 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
11 |
4 |
11391 |
108.0 |
0.5 |
0.736 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[SO4]A:1202 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11179 |
99.0 |
-14.7 |
0.879 |
6 |
0 |
0 |
0.158 |
| 14 |
16 |
|
A |
9 |
3 |
11179 |
◊ |
A |
x,-y+1,-z |
4_565 |
9 |
3 |
11179 |
91.0 |
-0.3 |
0.592 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
C |
5 |
3 |
5480 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
10 |
5 |
11391 |
87.7 |
-0.7 |
0.462 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[GOL]C:1201 |
5 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
5480 |
76.5 |
-0.2 |
0.612 |
2 |
0 |
0 |
0.010 |
| 17 |
19 |
|
[SO4]A:1203 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
11179 |
73.4 |
-8.5 |
0.917 |
3 |
0 |
0 |
0.090 |
| 18 |
20 |
|
[SO4]B:1203 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
11391 |
72.6 |
-8.4 |
0.908 |
3 |
0 |
0 |
0.089 |
| 19 |
21 |
|
[GOL]C:1201 |
6 |
1 |
218 |
◊ |
C |
-x,y,-z-1/2 |
3_554 |
16 |
6 |
5480 |
70.6 |
0.0 |
0.670 |
1 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[GOL]C:1201 |
6 |
1 |
218 |
◊ |
[GOL]C:1201 |
-x,y,-z-1/2 |
3_554 |
6 |
1 |
218 |
70.1 |
-0.5 |
0.433 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
D |
5 |
3 |
5440 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
11179 |
68.8 |
-0.8 |
0.465 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[SO4]A:1203 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
5480 |
67.0 |
-9.8 |
0.786 |
1 |
0 |
0 |
0.093 |
| 23 |
25 |
|
[SO4]B:1203 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
5440 |
63.4 |
-8.9 |
0.815 |
1 |
0 |
0 |
0.085 |
| 24 |
26 |
|
A |
5 |
2 |
11179 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
7 |
2 |
11391 |
61.4 |
1.2 |
0.819 |
1 |
1 |
0 |
0.000 |
27 |
|
B |
2 |
1 |
11391 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
3 |
1 |
11179 |
30.8 |
0.0 |
0.542 |
0 |
1 |
0 |
0.000 |
| Average: |
46.1 |
0.6 |
0.680 |
1 |
1 |
0 |
0.000 |
| 25 |
28 |
|
C |
3 |
1 |
5480 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
9 |
3 |
11391 |
60.8 |
-1.5 |
0.210 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
A |
6 |
2 |
11179 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
5440 |
58.3 |
-1.8 |
0.163 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
C |
2 |
1 |
5480 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11391 |
48.6 |
-0.8 |
0.261 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
A |
7 |
2 |
11179 |
◊ |
D |
x-1/2,y+1/2,z |
5_455 |
2 |
1 |
5440 |
39.7 |
-0.5 |
0.336 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[16S]A:1204 |
2 |
1 |
426 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
5480 |
38.1 |
-0.8 |
0.458 |
0 |
0 |
0 |
0.007 |
33 |
|
[16S]B:1204 |
2 |
1 |
426 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
5440 |
37.6 |
-0.7 |
0.469 |
0 |
0 |
0 |
0.007 |
| Average: |
37.8 |
-0.8 |
0.463 |
0 |
0 |
0 |
0.007 |
| 30 |
34 |
|
[SO4]A:1202 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
5480 |
32.2 |
-3.6 |
0.882 |
0 |
0 |
0 |
0.033 |
| 31 |
35 |
|
[SO4]B:1202 |
2 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
5440 |
15.6 |
-1.8 |
0.844 |
0 |
0 |
0 |
0.016 |
| 32 |
36 |
|
[SO4]A:1202 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
11391 |
13.5 |
-1.4 |
0.808 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
A |
1 |
1 |
11179 |
◊ |
[SO4]B:1202 |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
186 |
7.4 |
-0.8 |
0.799 |
0 |
0 |
0 |
0.000 |
|