| ## |
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 |
562 |
132 |
19272 |
◊ |
A |
x,y,z |
1_555 |
591 |
145 |
19211 |
5696.8 |
-73.3 |
0.032 |
74 |
18 |
0 |
0.530 |
2 |
|
D |
555 |
130 |
18893 |
◊ |
C |
x,y,z |
1_555 |
594 |
145 |
19500 |
5648.8 |
-74.1 |
0.071 |
73 |
17 |
0 |
0.530 |
| Average: |
5672.8 |
-73.7 |
0.052 |
74 |
18 |
0 |
0.530 |
| 2 |
3 |
|
A |
76 |
20 |
19211 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
75 |
20 |
19500 |
646.0 |
-2.0 |
0.770 |
5 |
4 |
0 |
0.000 |
| 3 |
4 |
|
B |
52 |
18 |
19272 |
◊ |
C |
x,y,z |
1_555 |
37 |
10 |
19500 |
435.7 |
-5.9 |
0.296 |
7 |
0 |
0 |
0.039 |
5 |
|
D |
49 |
18 |
18893 |
◊ |
A |
x,y,z |
1_555 |
35 |
10 |
19211 |
408.8 |
-6.1 |
0.236 |
5 |
0 |
0 |
0.039 |
| Average: |
422.2 |
-6.0 |
0.266 |
6 |
0 |
0 |
0.039 |
| 4 |
6 |
|
C |
38 |
16 |
19500 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
40 |
14 |
19211 |
394.4 |
-0.2 |
0.779 |
5 |
5 |
0 |
0.000 |
| 5 |
7 |
|
[M7G]A:401 |
29 |
1 |
584 |
f |
A |
x,y,z |
1_555 |
57 |
19 |
19211 |
387.1 |
-8.0 |
0.592 |
14 |
0 |
0 |
0.071 |
8 |
|
[M7G]C:401 |
29 |
1 |
586 |
f |
C |
x,y,z |
1_555 |
56 |
19 |
19500 |
386.4 |
-8.0 |
0.621 |
15 |
0 |
0 |
0.071 |
| Average: |
386.8 |
-8.0 |
0.606 |
15 |
0 |
0 |
0.071 |
| 6 |
9 |
|
B |
37 |
10 |
19272 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
48 |
15 |
19500 |
359.5 |
-2.7 |
0.532 |
3 |
1 |
0 |
0.000 |
10 |
|
A |
41 |
14 |
19211 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
33 |
9 |
18893 |
310.0 |
-2.3 |
0.587 |
2 |
0 |
0 |
0.000 |
| Average: |
334.8 |
-2.5 |
0.559 |
3 |
1 |
0 |
0.000 |
| 7 |
11 |
|
D |
34 |
13 |
18893 |
◊ |
B |
x,y,z |
1_555 |
36 |
15 |
19272 |
317.6 |
-4.1 |
0.418 |
2 |
0 |
0 |
0.011 |
| 8 |
12 |
|
B |
32 |
7 |
19272 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
29 |
9 |
19211 |
261.5 |
0.3 |
0.784 |
2 |
2 |
0 |
0.000 |
| 9 |
13 |
|
A |
19 |
7 |
19211 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
29 |
10 |
19272 |
243.0 |
0.9 |
0.840 |
6 |
0 |
0 |
0.000 |
| 10 |
14 |
|
C |
20 |
8 |
19500 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
19211 |
240.0 |
-6.2 |
0.041 |
0 |
0 |
0 |
0.014 |
| 11 |
15 |
|
C |
18 |
6 |
19500 |
x |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
19 |
8 |
19500 |
136.3 |
-1.4 |
0.541 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[SO4]B:402 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
19272 |
122.7 |
-17.8 |
0.792 |
5 |
0 |
0 |
0.097 |
| 13 |
17 |
|
[SO4]D:402 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
19 |
11 |
18893 |
121.2 |
-17.6 |
0.798 |
5 |
0 |
0 |
0.096 |
| 14 |
18 |
|
[SO4]C:402 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
19500 |
104.2 |
-15.1 |
0.747 |
2 |
0 |
0 |
0.078 |
| 15 |
19 |
|
[SO4]A:402 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19211 |
103.5 |
-15.0 |
0.714 |
2 |
0 |
0 |
0.077 |
| 16 |
20 |
|
[SO4]A:403 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19211 |
89.8 |
-11.9 |
0.771 |
2 |
0 |
0 |
0.062 |
| 17 |
21 |
|
[M7G]C:401 |
7 |
1 |
586 |
◊ |
D |
x,y,z |
1_555 |
14 |
3 |
18893 |
87.5 |
-0.6 |
0.595 |
1 |
0 |
0 |
0.005 |
22 |
|
[M7G]A:401 |
7 |
1 |
584 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
19272 |
85.8 |
-0.5 |
0.590 |
1 |
0 |
0 |
0.005 |
| Average: |
86.6 |
-0.5 |
0.593 |
1 |
0 |
0 |
0.005 |
| 18 |
23 |
|
[SO4]D:401 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
18893 |
80.1 |
-11.7 |
0.764 |
4 |
0 |
0 |
0.066 |
| 19 |
24 |
|
[SO4]B:401 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
19272 |
77.4 |
-11.2 |
0.771 |
5 |
0 |
0 |
0.065 |
| 20 |
25 |
|
[SO4]A:403 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
19272 |
70.6 |
-9.1 |
0.876 |
1 |
0 |
0 |
0.046 |
| 21 |
26 |
|
[CL]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
18893 |
67.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.042 |
| 22 |
27 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
19500 |
67.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.040 |
| 23 |
28 |
|
[CL]D:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
19500 |
61.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.037 |
| 24 |
29 |
|
[CL]D:404 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
18893 |
44.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| 25 |
30 |
|
D |
6 |
3 |
18893 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
19272 |
38.7 |
-0.6 |
0.478 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
19211 |
37.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.023 |
| 27 |
32 |
|
D |
3 |
1 |
18893 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
19211 |
36.6 |
-1.2 |
0.162 |
0 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[CL]A:404 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
19272 |
23.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.013 |
| 29 |
34 |
|
[SO4]A:402 |
4 |
1 |
187 |
f |
[M7G]A:401 |
x,y,z |
1_555 |
4 |
1 |
584 |
19.5 |
-2.9 |
0.758 |
0 |
0 |
0 |
0.014 |
| 30 |
35 |
|
[SO4]C:402 |
3 |
1 |
187 |
f |
[M7G]C:401 |
x,y,z |
1_555 |
4 |
1 |
586 |
14.8 |
-2.3 |
0.788 |
0 |
0 |
0 |
0.011 |
| 31 |
36 |
|
B |
2 |
2 |
19272 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
2 |
19272 |
8.5 |
0.2 |
0.762 |
0 |
0 |
0 |
0.000 |
|