| ## |
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 |
|
B |
203 |
52 |
18649 |
◊ |
A |
x,y,z |
1_555 |
194 |
53 |
19397 |
1964.3 |
-29.0 |
0.016 |
16 |
5 |
0 |
0.214 |
| 2 |
2 |
|
B |
109 |
24 |
18649 |
◊ |
B |
x-y,-y,-z-2/3 |
5_554 |
109 |
24 |
18649 |
968.0 |
-18.4 |
0.022 |
4 |
0 |
0 |
0.135 |
3 |
|
A |
107 |
25 |
19397 |
◊ |
A |
x-y,-y,-z-2/3 |
5_554 |
107 |
25 |
19397 |
967.1 |
-17.4 |
0.032 |
4 |
0 |
0 |
0.135 |
| Average: |
967.6 |
-17.9 |
0.027 |
4 |
0 |
0 |
0.135 |
| 3 |
4 |
|
B |
54 |
14 |
18649 |
◊ |
A |
x,y,z-1 |
1_554 |
49 |
14 |
19397 |
494.2 |
-3.3 |
0.397 |
4 |
2 |
0 |
0.000 |
| 4 |
5 |
|
A |
40 |
13 |
19397 |
◊ |
B |
-y,x-y-1,z+2/3 |
2_545 |
42 |
14 |
18649 |
402.5 |
-5.1 |
0.227 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
20 |
7 |
18649 |
x |
B |
-y,x-y-1,z-1/3 |
2_544 |
25 |
10 |
18649 |
195.4 |
-3.1 |
0.257 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[GOL]B:902 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
18649 |
139.6 |
0.0 |
0.663 |
3 |
0 |
0 |
0.018 |
| 7 |
8 |
|
[GOL]B:904 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
18649 |
137.5 |
-1.1 |
0.515 |
4 |
0 |
0 |
0.039 |
| 8 |
9 |
|
[GOL]A:902 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
19397 |
136.9 |
0.4 |
0.664 |
3 |
0 |
0 |
0.013 |
| 9 |
10 |
|
[GOL]A:905 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
19397 |
133.3 |
-1.3 |
0.488 |
3 |
0 |
0 |
0.034 |
| 10 |
11 |
|
[SO4]A:900 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19397 |
123.0 |
-18.8 |
0.775 |
5 |
0 |
0 |
0.277 |
| 11 |
12 |
|
[SO4]B:900 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
18649 |
122.5 |
-18.2 |
0.803 |
5 |
0 |
0 |
0.273 |
| 12 |
13 |
|
[SO4]B:903 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
18649 |
104.4 |
-14.5 |
0.919 |
6 |
0 |
0 |
0.230 |
| 13 |
14 |
|
[SO4]A:901 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
19397 |
97.0 |
-14.3 |
0.898 |
5 |
0 |
0 |
0.219 |
| 14 |
15 |
|
A |
5 |
2 |
19397 |
x |
A |
-y,x-y-1,z-1/3 |
2_544 |
11 |
4 |
19397 |
90.5 |
-2.7 |
0.036 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[SO4]A:904 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19397 |
68.8 |
-9.3 |
0.800 |
1 |
0 |
0 |
0.128 |
| 16 |
17 |
|
[MN]A:700 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
19397 |
63.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.078 |
18 |
|
[MN]B:700 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
18649 |
63.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.078 |
| Average: |
63.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.078 |
| 17 |
19 |
|
[CL]B:901 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
18649 |
62.3 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.114 |
| 18 |
20 |
|
[CL]A:903 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
19397 |
61.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.113 |
21 |
|
[CL]B:905 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
18649 |
54.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
58.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.113 |
| 19 |
22 |
|
A |
4 |
2 |
19397 |
◊ |
B |
-y,x-y-1,z-1/3 |
2_544 |
4 |
1 |
18649 |
45.7 |
-2.3 |
0.033 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[CL]B:901 |
1 |
1 |
125 |
◊ |
B |
-y,x-y-1,z-1/3 |
2_544 |
5 |
3 |
18649 |
34.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[SO4]A:904 |
2 |
1 |
185 |
◊ |
B |
-y,x-y-1,z+2/3 |
2_545 |
4 |
3 |
18649 |
26.4 |
-3.3 |
0.823 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[CL]A:903 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
18649 |
22.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
26 |
|
[CL]B:905 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
19397 |
20.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
21.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.029 |
| 23 |
27 |
|
[SO4]B:900 |
1 |
1 |
186 |
f |
[MN]B:700 |
x,y,z |
1_555 |
1 |
1 |
123 |
5.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| 24 |
28 |
|
[SO4]A:900 |
1 |
1 |
187 |
f |
[MN]A:700 |
x,y,z |
1_555 |
1 |
1 |
123 |
4.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.011 |
| 25 |
29 |
|
[GOL]B:902 |
1 |
1 |
218 |
◊ |
B |
x-y,-y,-z-2/3 |
5_554 |
1 |
1 |
18649 |
1.0 |
-0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
|