## |
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 |
181 |
47 |
13505 |
◊ |
C |
x,y,z |
1_555 |
178 |
45 |
13793 |
1866.3 |
-20.5 |
0.037 |
31 |
11 |
0 |
0.201 |
2 |
|
B |
174 |
44 |
13854 |
◊ |
A |
x,y,z |
1_555 |
184 |
49 |
13072 |
1847.7 |
-21.1 |
0.033 |
29 |
11 |
0 |
0.201 |
Average: |
1857.0 |
-20.8 |
0.035 |
30 |
11 |
0 |
0.201 |
2 |
3 |
|
D |
55 |
18 |
13505 |
◊ |
C |
-x,y,-z+1 |
2_556 |
55 |
17 |
13793 |
592.8 |
-0.1 |
0.620 |
8 |
0 |
0 |
0.019 |
4 |
|
B |
51 |
18 |
13854 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
56 |
18 |
13072 |
569.2 |
0.5 |
0.666 |
8 |
0 |
0 |
0.019 |
Average: |
581.0 |
0.2 |
0.643 |
8 |
0 |
0 |
0.019 |
3 |
5 |
|
C |
70 |
24 |
13793 |
◊ |
B |
x,y,z |
1_555 |
48 |
13 |
13854 |
484.7 |
-3.4 |
0.356 |
5 |
4 |
0 |
0.000 |
4 |
6 |
|
A |
36 |
9 |
13072 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
36 |
9 |
13072 |
379.5 |
-0.6 |
0.576 |
2 |
8 |
0 |
0.030 |
7 |
|
C |
38 |
10 |
13793 |
◊ |
C |
-x,y,-z+1 |
2_556 |
38 |
10 |
13793 |
374.3 |
-2.2 |
0.412 |
6 |
10 |
0 |
0.030 |
8 |
|
D |
35 |
9 |
13505 |
◊ |
D |
-x,y,-z+1 |
2_556 |
37 |
9 |
13505 |
360.3 |
-0.9 |
0.529 |
6 |
10 |
0 |
0.030 |
9 |
|
B |
35 |
9 |
13854 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
35 |
9 |
13854 |
349.2 |
-1.5 |
0.452 |
6 |
8 |
0 |
0.030 |
Average: |
365.8 |
-1.3 |
0.492 |
5 |
9 |
0 |
0.030 |
5 |
10 |
|
D |
22 |
8 |
13505 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
8 |
13072 |
223.7 |
-2.8 |
0.213 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
B |
20 |
6 |
13854 |
◊ |
A |
x,y-1,z |
1_545 |
24 |
6 |
13072 |
216.6 |
2.6 |
0.844 |
3 |
0 |
0 |
0.000 |
12 |
|
C |
24 |
6 |
13793 |
◊ |
D |
x,y-1,z |
1_545 |
23 |
6 |
13505 |
214.0 |
2.9 |
0.852 |
5 |
0 |
0 |
0.000 |
Average: |
215.3 |
2.8 |
0.848 |
4 |
0 |
0 |
0.000 |
7 |
13 |
|
[SO4]A:1604 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
13072 |
111.4 |
-19.1 |
0.748 |
9 |
0 |
0 |
0.117 |
8 |
14 |
|
[SO4]B:1602 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
13854 |
109.0 |
-16.6 |
0.694 |
3 |
0 |
0 |
0.091 |
9 |
15 |
|
[SO4]D:1606 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
13505 |
108.6 |
-16.0 |
0.742 |
6 |
0 |
0 |
0.104 |
10 |
16 |
|
[SO4]C:1608 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
13793 |
107.4 |
-17.3 |
0.593 |
6 |
0 |
0 |
0.112 |
11 |
17 |
|
[SO4]A:1603 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
13072 |
92.4 |
-11.1 |
0.842 |
2 |
0 |
0 |
0.061 |
12 |
18 |
|
[SO4]D:1607 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
13793 |
88.2 |
-10.9 |
0.817 |
3 |
0 |
0 |
0.069 |
13 |
19 |
|
[SO4]D:1605 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
13505 |
84.7 |
-10.0 |
0.800 |
3 |
0 |
0 |
0.064 |
14 |
20 |
|
[SO4]B:1601 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13854 |
83.8 |
-10.2 |
0.778 |
3 |
0 |
0 |
0.058 |
15 |
21 |
|
[SO4]A:1612 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
13072 |
81.3 |
-10.6 |
0.912 |
3 |
0 |
0 |
0.060 |
16 |
22 |
|
[SO4]D:1611 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
13505 |
80.3 |
-9.6 |
0.923 |
3 |
0 |
0 |
0.061 |
17 |
23 |
|
[SO4]C:1609 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
13793 |
74.5 |
-9.5 |
0.916 |
2 |
0 |
0 |
0.058 |
18 |
24 |
|
[SO4]B:1610 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13854 |
74.2 |
-9.8 |
0.853 |
2 |
0 |
0 |
0.054 |
19 |
25 |
|
[CO]C:1707 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
13793 |
63.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.138 |
26 |
|
[CO]B:1701 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
13854 |
62.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.138 |
27 |
|
[CO]D:1705 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
13505 |
62.8 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.138 |
Average: |
63.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.138 |
20 |
28 |
|
[NA]B:1702 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
13854 |
62.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.141 |
29 |
|
[NA]C:1708 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
13793 |
62.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.141 |
30 |
|
[NA]D:1706 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
13505 |
62.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.141 |
31 |
|
[NA]A:1704 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
13072 |
58.0 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.141 |
Average: |
61.5 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.141 |
21 |
32 |
|
C |
7 |
2 |
13793 |
◊ |
D |
-x,y-1,-z+1 |
2_546 |
7 |
2 |
13505 |
62.8 |
2.3 |
0.895 |
1 |
3 |
0 |
0.000 |
33 |
|
B |
4 |
2 |
13854 |
◊ |
A |
-x+1,y-1,-z+2 |
2_647 |
6 |
2 |
13072 |
51.7 |
1.0 |
0.821 |
0 |
2 |
0 |
0.000 |
Average: |
57.3 |
1.6 |
0.858 |
1 |
3 |
0 |
0.000 |
22 |
34 |
|
[CO]A:1709 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
13072 |
53.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.093 |
35 |
|
[CO]A:1703 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
13072 |
47.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
50.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.093 |
23 |
36 |
|
[SO4]D:1607 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
13505 |
44.8 |
-3.8 |
0.968 |
2 |
0 |
0 |
0.026 |
24 |
37 |
|
[SO4]A:1603 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13854 |
44.6 |
-3.8 |
0.967 |
2 |
0 |
0 |
0.024 |
25 |
38 |
|
[SO4]D:1605 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
13793 |
43.9 |
-3.8 |
0.966 |
2 |
0 |
0 |
0.026 |
26 |
39 |
|
[SO4]B:1601 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13072 |
43.6 |
-3.7 |
0.970 |
2 |
0 |
0 |
0.023 |
27 |
40 |
|
[CO]A:1709 |
1 |
1 |
125 |
f |
[CO]A:1703 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.029 |
28 |
41 |
|
[NA]A:1704 |
1 |
1 |
125 |
f |
[CO]A:1703 |
x,y,z |
1_555 |
1 |
1 |
125 |
8.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.008 |
29 |
42 |
|
[CO]A:1703 |
1 |
1 |
125 |
f |
[SO4]A:1604 |
x,y,z |
1_555 |
1 |
1 |
186 |
4.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
30 |
43 |
|
[NA]C:1708 |
1 |
1 |
125 |
f |
[CO]C:1707 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|