| ## |
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 |
133 |
37 |
6719 |
◊ |
D |
x,y,z |
1_555 |
124 |
33 |
7657 |
1196.8 |
-15.0 |
0.221 |
0 |
0 |
0 |
0.898 |
2 |
|
B |
117 |
31 |
7084 |
◊ |
A |
x,y,z |
1_555 |
123 |
31 |
6899 |
1082.1 |
-12.6 |
0.284 |
0 |
0 |
0 |
0.898 |
3 |
|
E |
115 |
30 |
7242 |
◊ |
D |
x,y,z |
1_555 |
121 |
30 |
7657 |
1065.2 |
-14.5 |
0.222 |
0 |
0 |
0 |
0.898 |
4 |
|
C |
109 |
28 |
7243 |
◊ |
B |
x,y,z |
1_555 |
120 |
31 |
7084 |
1055.3 |
-14.9 |
0.160 |
0 |
0 |
0 |
0.898 |
5 |
|
C |
111 |
27 |
7243 |
◊ |
A |
x,y,z |
1_555 |
105 |
30 |
6899 |
956.5 |
-11.8 |
0.238 |
0 |
0 |
0 |
0.898 |
6 |
|
F |
103 |
28 |
6719 |
◊ |
E |
x,y,z |
1_555 |
108 |
28 |
7242 |
893.7 |
-11.6 |
0.318 |
0 |
0 |
0 |
0.898 |
| Average: |
1041.6 |
-13.4 |
0.241 |
0 |
0 |
0 |
0.898 |
| 2 |
7 |
|
D |
62 |
19 |
7657 |
◊ |
A |
x,y,z |
1_555 |
58 |
21 |
6899 |
540.9 |
-0.7 |
0.760 |
0 |
0 |
0 |
0.000 |
| 3 |
8 |
|
D |
43 |
12 |
7657 |
◊ |
C |
-x,-y,z |
2_555 |
44 |
13 |
7243 |
430.2 |
0.0 |
0.733 |
0 |
0 |
0 |
0.000 |
| 4 |
9 |
|
C |
39 |
12 |
7243 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
3_546 |
33 |
9 |
7242 |
346.7 |
-5.3 |
0.252 |
0 |
0 |
0 |
0.000 |
| 5 |
10 |
|
F |
24 |
7 |
6719 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
27 |
13 |
7084 |
250.1 |
-2.5 |
0.397 |
0 |
0 |
0 |
0.000 |
| 6 |
11 |
|
A |
29 |
12 |
6899 |
◊ |
A |
-x,-y,z |
2_555 |
29 |
12 |
6899 |
206.2 |
-0.6 |
0.673 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
B |
19 |
7 |
7084 |
◊ |
E |
-x+1/2,y-1/2,-z |
3_545 |
25 |
8 |
7242 |
199.0 |
0.7 |
0.714 |
0 |
0 |
0 |
0.000 |
| 8 |
13 |
|
B |
17 |
6 |
7084 |
◊ |
B |
-x+1,-y,z |
2_655 |
18 |
6 |
7084 |
146.1 |
-0.2 |
0.691 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[ACT]A:201 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
6899 |
116.9 |
-0.7 |
0.617 |
0 |
0 |
0 |
0.030 |
| 10 |
15 |
|
D |
15 |
4 |
7657 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
13 |
5 |
7242 |
116.4 |
-0.9 |
0.573 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
C |
12 |
3 |
7243 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
3_546 |
10 |
6 |
6719 |
102.6 |
-0.9 |
0.485 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
F |
10 |
3 |
6719 |
◊ |
C |
-x,-y,z |
2_555 |
10 |
4 |
7243 |
95.5 |
1.2 |
0.838 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[SO4]F:202 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
6719 |
91.2 |
-15.0 |
0.639 |
0 |
0 |
0 |
0.145 |
| 14 |
19 |
|
[ACT]A:202 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
7084 |
89.0 |
-1.6 |
0.535 |
0 |
0 |
0 |
0.100 |
20 |
|
[ACT]C:201 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
6899 |
84.7 |
-1.5 |
0.531 |
0 |
0 |
0 |
0.100 |
| Average: |
86.8 |
-1.6 |
0.533 |
0 |
0 |
0 |
0.100 |
| 15 |
21 |
|
[ACT]D:201 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
7242 |
89.0 |
-1.7 |
0.540 |
0 |
0 |
0 |
0.100 |
22 |
|
[ACT]E:201 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
19 |
8 |
6719 |
77.0 |
-1.3 |
0.455 |
0 |
0 |
0 |
0.100 |
| Average: |
83.0 |
-1.5 |
0.497 |
0 |
0 |
0 |
0.100 |
| 16 |
23 |
|
[ACT]F:201 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
7657 |
88.9 |
-1.6 |
0.528 |
0 |
0 |
0 |
0.100 |
| 17 |
24 |
|
[ACT]B:201 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
7243 |
88.6 |
-1.3 |
0.545 |
0 |
0 |
0 |
0.100 |
| 18 |
25 |
|
B |
9 |
3 |
7084 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
3_546 |
12 |
5 |
6719 |
85.6 |
-0.9 |
0.519 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[SO4]F:204 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
6719 |
77.5 |
-10.6 |
0.843 |
0 |
0 |
0 |
0.102 |
| 20 |
27 |
|
C |
7 |
3 |
7243 |
◊ |
E |
-x+1/2,y-1/2,-z |
3_545 |
8 |
4 |
7242 |
74.6 |
-0.3 |
0.431 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[SO4]F:204 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
7657 |
73.3 |
-10.4 |
0.748 |
0 |
0 |
0 |
0.101 |
| 22 |
29 |
|
[SO4]F:203 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
6719 |
72.6 |
-10.2 |
0.618 |
0 |
0 |
0 |
0.098 |
| 23 |
30 |
|
[ACT]B:201 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
7084 |
69.4 |
0.2 |
0.753 |
0 |
0 |
0 |
0.000 |
31 |
|
[ACT]A:202 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
6899 |
66.7 |
0.3 |
0.766 |
0 |
0 |
0 |
0.000 |
32 |
|
[ACT]C:201 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
7243 |
66.4 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
| Average: |
67.5 |
0.2 |
0.758 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[ACT]F:201 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
6719 |
66.9 |
0.3 |
0.767 |
0 |
0 |
0 |
0.000 |
34 |
|
[ACT]D:201 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
7657 |
65.9 |
0.3 |
0.770 |
0 |
0 |
0 |
0.000 |
35 |
|
[ACT]E:201 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
7242 |
54.6 |
0.4 |
0.814 |
0 |
0 |
0 |
0.000 |
| Average: |
62.4 |
0.3 |
0.783 |
0 |
0 |
0 |
0.000 |
| 25 |
36 |
|
C |
6 |
4 |
7243 |
◊ |
A |
-x,-y,z |
2_555 |
7 |
3 |
6899 |
66.4 |
-0.9 |
0.398 |
0 |
0 |
0 |
0.000 |
| 26 |
37 |
|
F |
3 |
1 |
6719 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
8 |
4 |
7242 |
54.2 |
-1.0 |
0.176 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
[SO4]F:203 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
7657 |
53.2 |
-6.9 |
0.773 |
0 |
0 |
0 |
0.067 |
| 28 |
39 |
|
C |
6 |
3 |
7243 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
3_546 |
8 |
3 |
7657 |
45.5 |
-0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
| 29 |
40 |
|
[SO4]F:202 |
4 |
1 |
185 |
f |
[ACT]E:201 |
x,y,z |
1_555 |
3 |
1 |
183 |
29.9 |
-3.7 |
0.828 |
0 |
0 |
0 |
0.036 |
| 30 |
41 |
|
[SO4]F:202 |
2 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
3 |
3 |
7242 |
20.7 |
-2.2 |
0.931 |
0 |
0 |
0 |
0.021 |
| 31 |
42 |
|
F |
4 |
1 |
6719 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
7084 |
18.8 |
0.8 |
0.816 |
0 |
0 |
0 |
0.000 |
| 32 |
43 |
|
E |
2 |
1 |
7242 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
7084 |
4.3 |
-0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
B |
1 |
1 |
7084 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
7242 |
4.1 |
0.1 |
0.776 |
0 |
0 |
0 |
0.000 |
|