## |
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 |
|
I |
251 |
43 |
5376 |
◊ |
B |
x,y,z |
1_555 |
355 |
90 |
11321 |
2993.2 |
-31.1 |
0.434 |
63 |
4 |
0 |
0.594 |
2 |
|
H |
251 |
43 |
5440 |
◊ |
A |
x,y,z |
1_555 |
343 |
87 |
11068 |
2947.9 |
-30.0 |
0.465 |
58 |
6 |
0 |
0.594 |
Average: |
2970.5 |
-30.6 |
0.449 |
61 |
5 |
0 |
0.594 |
2 |
3 |
|
A |
81 |
22 |
11068 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
82 |
23 |
11068 |
717.6 |
3.0 |
0.893 |
10 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
75 |
24 |
11321 |
◊ |
B |
x,-y,-z |
4_555 |
75 |
24 |
11321 |
651.1 |
0.8 |
0.794 |
4 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
58 |
19 |
11321 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
59 |
18 |
11068 |
567.9 |
-6.9 |
0.225 |
4 |
0 |
0 |
0.000 |
6 |
|
B |
58 |
18 |
11321 |
◊ |
A |
x,y,z |
1_555 |
58 |
16 |
11068 |
538.3 |
-4.7 |
0.395 |
1 |
0 |
0 |
0.000 |
Average: |
553.1 |
-5.8 |
0.310 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
[9CB]A:1203 |
23 |
1 |
529 |
f |
A |
x,y,z |
1_555 |
55 |
19 |
11068 |
362.6 |
-10.8 |
0.407 |
3 |
0 |
0 |
0.128 |
8 |
|
[9CB]B:1204 |
23 |
1 |
527 |
f |
B |
x,y,z |
1_555 |
56 |
19 |
11321 |
362.5 |
-10.2 |
0.435 |
4 |
0 |
0 |
0.128 |
Average: |
362.5 |
-10.5 |
0.421 |
4 |
0 |
0 |
0.128 |
6 |
9 |
|
I |
26 |
8 |
5376 |
◊ |
I |
x,-y,-z |
4_555 |
26 |
8 |
5376 |
295.8 |
-0.8 |
0.796 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
H |
14 |
7 |
5440 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
16 |
5 |
11068 |
146.1 |
-2.0 |
0.357 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
I |
15 |
6 |
5376 |
◊ |
B |
x,-y,-z |
4_555 |
14 |
5 |
11321 |
142.4 |
-2.1 |
0.301 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
H |
17 |
8 |
5440 |
◊ |
H |
-x,y,-z+1/2 |
3_555 |
17 |
8 |
5440 |
130.6 |
1.2 |
0.878 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
[SO4]B:1201 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11321 |
111.5 |
-16.2 |
0.699 |
6 |
0 |
0 |
0.160 |
11 |
14 |
|
[SO4]A:1201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11068 |
102.2 |
-15.2 |
0.854 |
6 |
0 |
0 |
0.188 |
12 |
15 |
|
[GOL]H:1201 |
5 |
1 |
223 |
◊ |
H |
x,y,z |
1_555 |
15 |
6 |
5440 |
77.7 |
-0.3 |
0.600 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
B |
8 |
4 |
11321 |
◊ |
H |
x-1/2,y-1/2,z |
5_445 |
5 |
3 |
5440 |
75.9 |
-1.1 |
0.352 |
0 |
0 |
0 |
0.000 |
17 |
|
I |
5 |
3 |
5376 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11068 |
65.2 |
-0.9 |
0.431 |
0 |
0 |
0 |
0.000 |
Average: |
70.6 |
-1.0 |
0.392 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[GOL]H:1201 |
5 |
1 |
223 |
◊ |
[GOL]H:1201 |
-x,y,-z+1/2 |
3_555 |
5 |
1 |
223 |
72.7 |
-0.4 |
0.427 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[SO4]B:1202 |
5 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
14 |
4 |
5376 |
72.5 |
-10.3 |
0.815 |
1 |
0 |
0 |
0.100 |
16 |
20 |
|
[SO4]B:1202 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
11321 |
71.5 |
-8.2 |
0.902 |
2 |
0 |
0 |
0.077 |
17 |
21 |
|
H |
3 |
1 |
5440 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
9 |
3 |
11321 |
61.5 |
-1.4 |
0.215 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
B |
7 |
3 |
11321 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
7 |
3 |
11321 |
57.4 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[GOL]H:1201 |
4 |
1 |
223 |
f |
H |
-x,y,-z+1/2 |
3_555 |
12 |
5 |
5440 |
56.9 |
-0.2 |
0.596 |
2 |
0 |
0 |
0.100 |
20 |
24 |
|
I |
3 |
1 |
5376 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
6 |
2 |
11068 |
55.5 |
-1.7 |
0.173 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
H |
2 |
1 |
5440 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
11321 |
50.2 |
-0.7 |
0.264 |
0 |
0 |
0 |
0.000 |
26 |
|
I |
2 |
1 |
5376 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
7 |
2 |
11068 |
38.7 |
-0.5 |
0.340 |
0 |
0 |
0 |
0.000 |
Average: |
44.4 |
-0.6 |
0.302 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
B |
7 |
2 |
11321 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
4 |
2 |
11068 |
44.1 |
0.2 |
0.691 |
1 |
2 |
0 |
0.000 |
23 |
28 |
|
[9CB]A:1203 |
3 |
1 |
529 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
5440 |
42.8 |
-4.0 |
0.278 |
0 |
0 |
0 |
0.041 |
29 |
|
[9CB]B:1204 |
3 |
1 |
527 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
5376 |
40.3 |
-4.0 |
0.270 |
0 |
0 |
0 |
0.041 |
Average: |
41.5 |
-4.0 |
0.274 |
0 |
0 |
0 |
0.041 |
24 |
30 |
|
A |
5 |
1 |
11068 |
◊ |
A |
x,-y+1,-z |
4_565 |
5 |
1 |
11068 |
39.7 |
0.3 |
0.737 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[SO4]A:1201 |
3 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
5440 |
29.5 |
-3.5 |
0.856 |
0 |
0 |
0 |
0.037 |
26 |
32 |
|
B |
2 |
1 |
11321 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
11068 |
28.9 |
0.2 |
0.598 |
0 |
1 |
0 |
0.000 |
27 |
33 |
|
[SO4]B:1201 |
2 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
4 |
4 |
5376 |
26.4 |
-3.2 |
0.832 |
0 |
0 |
0 |
0.027 |
28 |
34 |
|
[SO4]B:1201 |
2 |
1 |
186 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
2 |
2 |
11068 |
15.0 |
-1.4 |
0.918 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[SO4]A:1201 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
11321 |
14.0 |
-1.4 |
0.831 |
0 |
0 |
0 |
0.000 |
|