| ## |
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 |
199 |
52 |
15842 |
◊ |
C |
x,y,z |
1_555 |
215 |
55 |
15856 |
2137.3 |
-23.7 |
0.036 |
40 |
13 |
0 |
1.000 |
2 |
|
H |
205 |
53 |
15855 |
◊ |
G |
x,y,z |
1_555 |
214 |
54 |
15917 |
2111.4 |
-27.6 |
0.009 |
36 |
13 |
0 |
1.000 |
3 |
|
B |
209 |
52 |
15902 |
◊ |
A |
x,y,z |
1_555 |
208 |
52 |
15873 |
2077.7 |
-28.2 |
0.012 |
27 |
10 |
0 |
1.000 |
4 |
|
F |
207 |
52 |
15920 |
◊ |
E |
x,y,z |
1_555 |
212 |
53 |
15770 |
2051.3 |
-26.9 |
0.020 |
29 |
12 |
0 |
1.000 |
| Average: |
2094.4 |
-26.6 |
0.019 |
33 |
12 |
0 |
1.000 |
| 2 |
5 |
|
D |
77 |
21 |
15842 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
81 |
28 |
15770 |
721.8 |
-3.9 |
0.478 |
7 |
4 |
0 |
0.000 |
6 |
|
D |
81 |
28 |
15842 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
68 |
16 |
15920 |
679.3 |
-3.5 |
0.493 |
10 |
6 |
0 |
0.000 |
7 |
|
A |
79 |
27 |
15873 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
71 |
21 |
15917 |
675.8 |
-3.3 |
0.481 |
6 |
5 |
0 |
0.000 |
8 |
|
C |
71 |
20 |
15856 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
82 |
28 |
15902 |
671.1 |
-5.2 |
0.337 |
6 |
3 |
0 |
0.000 |
9 |
|
H |
71 |
19 |
15855 |
◊ |
G |
-x+3/2,-y+2,z-1/2 |
2_674 |
73 |
28 |
15917 |
663.0 |
-3.2 |
0.444 |
8 |
5 |
0 |
0.000 |
| Average: |
682.2 |
-3.8 |
0.447 |
7 |
5 |
0 |
0.000 |
| 3 |
10 |
|
F |
67 |
19 |
15920 |
◊ |
H |
x-1/2,-y+3/2,-z+1 |
4_466 |
61 |
18 |
15855 |
623.5 |
6.3 |
0.948 |
13 |
12 |
0 |
0.000 |
11 |
|
C |
61 |
19 |
15856 |
◊ |
B |
x,y,z |
1_555 |
63 |
16 |
15902 |
577.3 |
6.0 |
0.943 |
9 |
8 |
0 |
0.000 |
| Average: |
600.4 |
6.2 |
0.945 |
11 |
10 |
0 |
0.001 |
| 4 |
12 |
|
B |
48 |
14 |
15902 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
47 |
14 |
15770 |
405.1 |
0.2 |
0.706 |
4 |
2 |
0 |
0.000 |
13 |
|
F |
42 |
13 |
15920 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
53 |
13 |
15917 |
358.1 |
0.1 |
0.682 |
3 |
4 |
0 |
0.000 |
| Average: |
381.6 |
0.2 |
0.694 |
4 |
3 |
0 |
0.000 |
| 5 |
14 |
|
C |
36 |
10 |
15856 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
12 |
15855 |
313.6 |
-0.7 |
0.566 |
0 |
1 |
0 |
0.000 |
| 6 |
15 |
|
G |
14 |
3 |
15917 |
x |
G |
-x+3/2,-y+2,z-1/2 |
2_674 |
21 |
6 |
15917 |
149.3 |
1.2 |
0.731 |
2 |
1 |
0 |
0.000 |
16 |
|
D |
13 |
3 |
15842 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
22 |
7 |
15902 |
146.5 |
1.7 |
0.773 |
2 |
2 |
0 |
0.000 |
17 |
|
A |
20 |
7 |
15873 |
x |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
3 |
15855 |
137.5 |
1.3 |
0.750 |
2 |
0 |
0 |
0.000 |
18 |
|
D |
18 |
6 |
15842 |
x |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
13 |
3 |
15770 |
134.7 |
1.7 |
0.818 |
1 |
2 |
0 |
0.000 |
19 |
|
C |
14 |
3 |
15856 |
x |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
17 |
6 |
15770 |
127.4 |
1.5 |
0.753 |
2 |
1 |
0 |
0.000 |
| Average: |
139.1 |
1.5 |
0.765 |
2 |
1 |
0 |
0.000 |
| 7 |
20 |
|
B |
16 |
7 |
15902 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
5 |
15920 |
144.8 |
-0.5 |
0.416 |
2 |
1 |
0 |
0.000 |
21 |
|
E |
14 |
4 |
15770 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
5 |
15917 |
134.5 |
-0.5 |
0.380 |
2 |
0 |
0 |
0.000 |
22 |
|
A |
14 |
4 |
15873 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
5 |
15770 |
131.6 |
-1.1 |
0.386 |
1 |
0 |
0 |
0.000 |
23 |
|
F |
12 |
5 |
15920 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
3 |
15855 |
109.0 |
-0.1 |
0.514 |
2 |
0 |
0 |
0.000 |
| Average: |
130.0 |
-0.5 |
0.424 |
2 |
0 |
0 |
0.000 |
| 8 |
24 |
|
F |
9 |
4 |
15920 |
◊ |
G |
x-1/2,-y+3/2,-z+1 |
4_466 |
12 |
3 |
15917 |
121.7 |
-1.0 |
0.083 |
0 |
0 |
0 |
0.000 |
25 |
|
D |
8 |
4 |
15842 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
15902 |
63.6 |
-0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
| Average: |
92.6 |
-0.5 |
0.348 |
0 |
0 |
0 |
0.001 |
| 9 |
26 |
|
[SO4]H:1003 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
15855 |
95.0 |
-11.5 |
0.870 |
3 |
0 |
0 |
0.155 |
| 10 |
27 |
|
F |
13 |
6 |
15920 |
f |
[SO4]H:1001 |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
1 |
186 |
86.8 |
-11.7 |
0.766 |
3 |
0 |
0 |
0.220 |
| 11 |
28 |
|
[SO4]C:1004 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
15856 |
83.1 |
-11.1 |
0.799 |
2 |
0 |
0 |
0.195 |
| 12 |
29 |
|
D |
7 |
3 |
15842 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
4 |
15855 |
79.3 |
0.5 |
0.516 |
0 |
0 |
0 |
0.000 |
30 |
|
C |
10 |
4 |
15856 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
15917 |
78.6 |
0.5 |
0.432 |
1 |
0 |
0 |
0.000 |
| Average: |
79.0 |
0.5 |
0.474 |
1 |
0 |
0 |
0.000 |
| 13 |
31 |
|
[SO4]H:1002 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
15855 |
77.7 |
-11.1 |
0.699 |
2 |
0 |
0 |
0.145 |
| 14 |
32 |
|
D |
10 |
3 |
15842 |
◊ |
G |
x,y-1,z |
1_545 |
8 |
3 |
15917 |
73.6 |
1.5 |
0.841 |
3 |
0 |
0 |
0.000 |
| 15 |
33 |
|
E |
7 |
2 |
15770 |
◊ |
H |
x-1/2,-y+3/2,-z+1 |
4_466 |
7 |
3 |
15855 |
64.0 |
-0.9 |
0.172 |
0 |
0 |
0 |
0.000 |
34 |
|
C |
3 |
2 |
15856 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
15873 |
4.4 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
| Average: |
34.2 |
-0.4 |
0.422 |
0 |
0 |
0 |
0.001 |
| 16 |
35 |
|
[SO4]A:1005 |
4 |
1 |
187 |
f |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
3 |
15917 |
54.6 |
-7.6 |
0.591 |
0 |
0 |
0 |
0.100 |
| 17 |
36 |
|
D |
8 |
3 |
15842 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
2 |
15873 |
54.4 |
-1.2 |
0.293 |
0 |
0 |
0 |
0.000 |
| 18 |
37 |
|
F |
5 |
2 |
15920 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
15873 |
49.8 |
-0.1 |
0.487 |
0 |
0 |
0 |
0.000 |
| 19 |
38 |
|
[SO4]C:1004 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
15842 |
46.1 |
-5.7 |
0.702 |
1 |
0 |
0 |
0.100 |
| 20 |
39 |
|
[SO4]A:1005 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
15873 |
44.7 |
-4.5 |
0.968 |
2 |
0 |
0 |
0.000 |
| 21 |
40 |
|
F |
4 |
1 |
15920 |
◊ |
[SO4]H:1002 |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
1 |
185 |
42.3 |
-4.8 |
0.872 |
1 |
0 |
0 |
0.003 |
| 22 |
41 |
|
E |
4 |
1 |
15770 |
◊ |
[SO4]H:1001 |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
186 |
35.9 |
-4.7 |
0.484 |
0 |
0 |
0 |
0.080 |
| 23 |
42 |
|
H |
3 |
1 |
15855 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
2 |
15842 |
35.8 |
0.7 |
0.853 |
1 |
2 |
0 |
0.000 |
| 24 |
43 |
|
[SO4]H:1002 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
15917 |
34.7 |
-4.7 |
0.546 |
0 |
0 |
0 |
0.057 |
| 25 |
44 |
|
[SO4]H:1001 |
3 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
15855 |
34.2 |
-4.2 |
0.880 |
1 |
0 |
0 |
0.003 |
| 26 |
45 |
|
[SO4]C:1004 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
15902 |
30.3 |
-3.5 |
0.931 |
1 |
0 |
0 |
0.000 |
|