## |
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 |
140 |
40 |
17786 |
◊ |
B |
y,x,-z |
4_555 |
140 |
40 |
17786 |
1329.8 |
-14.6 |
0.041 |
12 |
6 |
0 |
0.096 |
2 |
|
A |
140 |
40 |
17728 |
◊ |
A |
y,x,-z |
4_555 |
140 |
40 |
17728 |
1281.0 |
-13.2 |
0.083 |
12 |
6 |
0 |
0.096 |
Average: |
1305.4 |
-13.9 |
0.062 |
12 |
6 |
0 |
0.096 |
2 |
3 |
|
B |
92 |
27 |
17786 |
◊ |
A |
x,y,z |
1_555 |
89 |
28 |
17728 |
912.0 |
1.1 |
0.726 |
18 |
13 |
0 |
0.040 |
3 |
4 |
|
[NAD]A:501 |
44 |
1 |
843 |
f |
A |
x,y,z |
1_555 |
91 |
33 |
17728 |
617.4 |
-6.3 |
0.545 |
14 |
0 |
0 |
0.119 |
4 |
5 |
|
B |
44 |
17 |
17786 |
◊ |
A |
x-1,y,z |
1_455 |
48 |
15 |
17728 |
398.9 |
0.9 |
0.697 |
3 |
5 |
0 |
0.000 |
5 |
6 |
|
B |
44 |
12 |
17786 |
◊ |
B |
x-y,-y,-z+1/3 |
5_555 |
44 |
12 |
17786 |
331.8 |
0.9 |
0.688 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
28 |
10 |
17728 |
x |
A |
x-y,-y+1,-z+1/3 |
5_565 |
31 |
8 |
17728 |
285.5 |
-1.5 |
0.350 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[PEG]B:509 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
31 |
14 |
17786 |
154.8 |
2.8 |
0.313 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[SO4]B:507 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
17786 |
120.4 |
-19.8 |
0.616 |
5 |
0 |
0 |
0.203 |
9 |
10 |
|
B |
15 |
4 |
17786 |
◊ |
A |
x-1,y-1,z |
1_445 |
15 |
5 |
17728 |
117.6 |
0.2 |
0.627 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[SO4]A:505 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
17728 |
114.1 |
-16.6 |
0.757 |
7 |
0 |
0 |
0.188 |
11 |
12 |
|
[SO4]A:507 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
17728 |
107.7 |
-13.9 |
0.767 |
3 |
0 |
0 |
0.145 |
12 |
13 |
|
[PEG]B:511 |
7 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
17786 |
106.0 |
3.9 |
0.410 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[GOL]B:510 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
17786 |
92.0 |
0.9 |
0.676 |
4 |
0 |
0 |
0.008 |
14 |
15 |
|
[SO4]B:504 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
17786 |
91.8 |
-13.2 |
0.913 |
5 |
0 |
0 |
0.143 |
15 |
16 |
|
[SO4]B:505 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
17786 |
79.9 |
-11.5 |
0.702 |
3 |
0 |
0 |
0.119 |
16 |
17 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
17728 |
77.1 |
-10.8 |
0.718 |
3 |
0 |
0 |
0.116 |
17 |
18 |
|
[SO4]A:504 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
17728 |
77.0 |
-10.5 |
0.833 |
1 |
0 |
0 |
0.104 |
18 |
19 |
|
[SO4]B:506 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
17786 |
74.1 |
-10.0 |
0.689 |
2 |
0 |
0 |
0.101 |
19 |
20 |
|
[SO4]A:506 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
17728 |
72.9 |
-10.0 |
0.650 |
2 |
0 |
0 |
0.104 |
20 |
21 |
|
[MN]B:501 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
17786 |
70.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.057 |
22 |
|
[MN]A:502 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
17728 |
65.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
67.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.057 |
21 |
23 |
|
[CL]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17786 |
57.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.065 |
22 |
24 |
|
[SO4]B:508 |
4 |
1 |
186 |
f |
B |
x-y,-y,-z+1/3 |
5_555 |
9 |
2 |
17786 |
56.1 |
-6.7 |
0.777 |
0 |
0 |
0 |
0.062 |
23 |
25 |
|
[SO4]B:508 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
17786 |
49.5 |
-6.0 |
0.846 |
1 |
0 |
0 |
0.007 |
24 |
26 |
|
[SO4]B:506 |
3 |
1 |
186 |
◊ |
B |
y,x,-z |
4_555 |
6 |
4 |
17786 |
38.4 |
-4.2 |
0.932 |
1 |
0 |
0 |
0.043 |
25 |
27 |
|
[SO4]A:506 |
4 |
1 |
186 |
◊ |
A |
y,x,-z |
4_555 |
6 |
4 |
17728 |
38.4 |
-4.0 |
0.937 |
0 |
0 |
0 |
0.038 |
26 |
28 |
|
B |
5 |
2 |
17786 |
◊ |
A |
x-y,-y,-z+1/3 |
5_555 |
4 |
1 |
17728 |
38.4 |
-0.1 |
0.533 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[CL]B:503 |
1 |
1 |
125 |
f |
[SO4]B:506 |
x,y,z |
1_555 |
4 |
1 |
186 |
32.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.062 |
28 |
30 |
|
[CL]B:502 |
1 |
1 |
125 |
◊ |
B |
y,x,-z |
4_555 |
7 |
3 |
17786 |
30.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.017 |
29 |
31 |
|
[CL]B:503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
17786 |
27.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.030 |
30 |
32 |
|
[CL]B:503 |
1 |
1 |
125 |
◊ |
B |
y,x,-z |
4_555 |
3 |
2 |
17786 |
25.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.020 |
31 |
33 |
|
[CL]B:502 |
1 |
1 |
125 |
◊ |
[CL]B:502 |
y,x,-z |
4_555 |
1 |
1 |
125 |
21.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.020 |
32 |
34 |
|
[SO4]A:504 |
1 |
1 |
187 |
◊ |
A |
y,x,-z |
4_555 |
2 |
1 |
17728 |
15.3 |
-2.1 |
0.510 |
0 |
0 |
0 |
0.020 |
33 |
35 |
|
[GOL]B:510 |
1 |
1 |
222 |
◊ |
B |
y,x,-z |
4_555 |
2 |
1 |
17786 |
14.2 |
0.0 |
0.398 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[SO4]A:505 |
1 |
1 |
187 |
f |
[NAD]A:501 |
x,y,z |
1_555 |
2 |
1 |
843 |
6.5 |
-0.9 |
0.642 |
0 |
0 |
0 |
0.009 |
35 |
37 |
|
B |
2 |
1 |
17786 |
◊ |
A |
x-y,-y+1,-z+1/3 |
5_565 |
2 |
1 |
17728 |
5.6 |
0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[PEG]B:509 |
1 |
1 |
259 |
f |
[SO4]B:504 |
x,y,z |
1_555 |
1 |
1 |
186 |
5.1 |
-0.5 |
0.478 |
0 |
0 |
0 |
0.004 |
37 |
39 |
|
[SO4]A:506 |
1 |
1 |
186 |
◊ |
[SO4]A:504 |
y,x,-z |
4_555 |
1 |
1 |
187 |
3.9 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.009 |
38 |
40 |
|
[SO4]B:505 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17728 |
3.0 |
-0.4 |
0.871 |
0 |
0 |
0 |
0.002 |
39 |
41 |
|
[GOL]B:510 |
2 |
1 |
222 |
◊ |
[SO4]B:506 |
y,x,-z |
4_555 |
1 |
1 |
186 |
3.0 |
-0.3 |
0.764 |
0 |
0 |
0 |
0.003 |
40 |
42 |
|
B |
1 |
1 |
17786 |
◊ |
A |
y-1,x-1,-z |
4_445 |
1 |
1 |
17728 |
2.7 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[SO4]A:503 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17786 |
2.3 |
-0.3 |
0.861 |
0 |
0 |
0 |
0.001 |
42 |
44 |
|
[MN]A:502 |
1 |
1 |
123 |
f |
[NAD]A:501 |
x,y,z |
1_555 |
1 |
1 |
843 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
[PEG]B:511 |
1 |
1 |
262 |
f |
[SO4]B:504 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.5 |
-0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
|