| ## |
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 |
|
F |
94 |
27 |
6894 |
◊ |
D |
x,y,z |
1_555 |
97 |
28 |
6810 |
933.2 |
-14.0 |
0.137 |
10 |
4 |
0 |
0.331 |
2 |
|
E |
93 |
28 |
6822 |
◊ |
B |
x,y,z |
1_555 |
94 |
27 |
6728 |
890.9 |
-14.6 |
0.096 |
10 |
4 |
0 |
0.331 |
3 |
|
C |
91 |
27 |
6813 |
◊ |
A |
x,y,z |
1_555 |
90 |
26 |
6748 |
885.1 |
-14.6 |
0.098 |
10 |
4 |
0 |
0.331 |
| Average: |
903.1 |
-14.4 |
0.110 |
10 |
4 |
0 |
0.331 |
| 2 |
4 |
|
F |
86 |
26 |
6894 |
◊ |
A |
x,y,z |
1_555 |
83 |
26 |
6748 |
783.6 |
-0.4 |
0.831 |
20 |
10 |
0 |
0.118 |
5 |
|
E |
83 |
25 |
6822 |
◊ |
D |
x,y,z |
1_555 |
90 |
27 |
6810 |
781.6 |
-0.9 |
0.812 |
20 |
10 |
0 |
0.118 |
6 |
|
C |
84 |
26 |
6813 |
◊ |
B |
x,y,z |
1_555 |
84 |
25 |
6728 |
766.2 |
-1.0 |
0.815 |
19 |
10 |
0 |
0.118 |
| Average: |
777.1 |
-0.8 |
0.819 |
20 |
10 |
0 |
0.118 |
| 3 |
7 |
|
D |
56 |
17 |
6810 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
57 |
16 |
6894 |
532.6 |
-1.7 |
0.703 |
2 |
2 |
0 |
0.000 |
| 4 |
8 |
|
E |
30 |
10 |
6822 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
39 |
10 |
6813 |
332.0 |
-2.3 |
0.540 |
2 |
0 |
0 |
0.000 |
| 5 |
9 |
|
D |
38 |
12 |
6810 |
◊ |
B |
x,y,z |
1_555 |
29 |
7 |
6728 |
329.7 |
-5.6 |
0.179 |
3 |
4 |
0 |
0.241 |
10 |
|
F |
35 |
12 |
6894 |
◊ |
C |
x,y,z |
1_555 |
28 |
7 |
6813 |
327.8 |
-5.6 |
0.171 |
3 |
4 |
0 |
0.241 |
11 |
|
F |
28 |
7 |
6894 |
◊ |
E |
x,y,z |
1_555 |
37 |
12 |
6822 |
326.2 |
-5.7 |
0.168 |
3 |
4 |
0 |
0.241 |
12 |
|
B |
35 |
12 |
6728 |
◊ |
A |
x,y,z |
1_555 |
27 |
7 |
6748 |
324.8 |
-5.6 |
0.155 |
3 |
4 |
0 |
0.241 |
13 |
|
D |
28 |
7 |
6810 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
6748 |
324.1 |
-5.6 |
0.168 |
3 |
4 |
0 |
0.241 |
14 |
|
E |
28 |
7 |
6822 |
◊ |
C |
x,y,z |
1_555 |
37 |
13 |
6813 |
323.7 |
-5.5 |
0.178 |
3 |
4 |
0 |
0.241 |
| Average: |
326.0 |
-5.6 |
0.170 |
3 |
4 |
0 |
0.241 |
| 6 |
15 |
|
F |
27 |
6 |
6894 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
31 |
8 |
6728 |
256.8 |
-3.3 |
0.380 |
2 |
2 |
0 |
0.000 |
| 7 |
16 |
|
D |
29 |
8 |
6810 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
28 |
6 |
6813 |
253.3 |
-2.9 |
0.419 |
2 |
1 |
0 |
0.000 |
| 8 |
17 |
|
A |
26 |
7 |
6748 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
29 |
6 |
6728 |
240.6 |
-1.5 |
0.565 |
2 |
0 |
0 |
0.000 |
| 9 |
18 |
|
F |
20 |
6 |
6894 |
◊ |
C |
-x+1,y-1/2,-z+3/2 |
3_646 |
22 |
6 |
6813 |
201.5 |
-2.4 |
0.384 |
1 |
0 |
0 |
0.000 |
| 10 |
19 |
|
[SO4]D:9004 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
6810 |
103.2 |
-15.4 |
0.732 |
3 |
0 |
0 |
0.513 |
20 |
|
[SO4]C:9003 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
6813 |
101.1 |
-15.1 |
0.750 |
2 |
0 |
0 |
0.513 |
21 |
|
[SO4]A:9001 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6748 |
100.7 |
-15.0 |
0.718 |
2 |
0 |
0 |
0.513 |
22 |
|
[SO4]F:9006 |
5 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
6894 |
100.6 |
-14.6 |
0.752 |
3 |
0 |
0 |
0.513 |
| Average: |
101.4 |
-15.0 |
0.738 |
3 |
0 |
0 |
0.513 |
| 11 |
23 |
|
[SO4]B:9002 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
6728 |
102.9 |
-15.5 |
0.728 |
2 |
0 |
0 |
0.276 |
| 12 |
24 |
|
[SO4]E:9005 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
6822 |
100.7 |
-15.2 |
0.718 |
3 |
0 |
0 |
0.280 |
| 13 |
25 |
|
D |
7 |
2 |
6810 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
11 |
5 |
6728 |
67.5 |
-1.0 |
0.352 |
1 |
0 |
0 |
0.000 |
| 14 |
26 |
|
[SO4]D:9007 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
6810 |
38.3 |
-3.8 |
0.863 |
2 |
0 |
0 |
0.074 |
| 15 |
27 |
|
[SO4]D:9007 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
6748 |
37.4 |
-4.0 |
0.872 |
1 |
0 |
0 |
0.047 |
| 16 |
28 |
|
[SO4]C:9008 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
6894 |
37.4 |
-3.8 |
0.859 |
1 |
0 |
0 |
0.046 |
| 17 |
29 |
|
[SO4]C:9008 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
6813 |
36.2 |
-3.9 |
0.881 |
2 |
0 |
0 |
0.075 |
| 18 |
30 |
|
[SO4]D:9007 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6728 |
36.1 |
-3.6 |
0.870 |
1 |
0 |
0 |
0.042 |
| 19 |
31 |
|
[SO4]C:9008 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
6822 |
33.8 |
-3.0 |
0.886 |
1 |
0 |
0 |
0.037 |
| 20 |
32 |
|
E |
3 |
1 |
6822 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
6894 |
32.3 |
0.5 |
0.795 |
1 |
1 |
0 |
0.000 |
| 21 |
33 |
|
B |
4 |
1 |
6728 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
1 |
6748 |
30.8 |
0.2 |
0.706 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
[NI]C:118 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6748 |
29.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.110 |
35 |
|
[NI]D:118 |
1 |
1 |
115 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
6894 |
29.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.110 |
36 |
|
[NI]F:118 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
6810 |
28.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.110 |
37 |
|
[NI]B:118 |
1 |
1 |
115 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
6822 |
28.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.110 |
38 |
|
[NI]A:118 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
6813 |
27.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.110 |
39 |
|
[NI]E:118 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6728 |
27.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.110 |
| Average: |
28.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.110 |
| 23 |
40 |
|
E |
2 |
2 |
6822 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
6813 |
23.4 |
0.6 |
0.843 |
0 |
0 |
0 |
0.000 |
| 24 |
41 |
|
[SO4]F:9006 |
1 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6810 |
2.7 |
-0.4 |
0.689 |
0 |
0 |
0 |
0.006 |
| 25 |
42 |
|
[SO4]B:9002 |
1 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
6822 |
1.6 |
-0.2 |
0.710 |
0 |
0 |
0 |
0.005 |
43 |
|
[SO4]A:9001 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6813 |
1.4 |
-0.2 |
0.714 |
0 |
0 |
0 |
0.005 |
44 |
|
[SO4]D:9004 |
1 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6894 |
1.1 |
-0.2 |
0.737 |
0 |
0 |
0 |
0.005 |
45 |
|
[SO4]C:9003 |
1 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6748 |
0.9 |
-0.1 |
0.744 |
0 |
0 |
0 |
0.005 |
| Average: |
1.3 |
-0.2 |
0.726 |
0 |
0 |
0 |
0.005 |
|