| ## |
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 |
|
O |
64 |
18 |
5652 |
◊ |
F |
-x+1/2,y-1/2,-z |
39_545 |
73 |
21 |
6997 |
643.1 |
-0.5 |
0.555 |
6 |
8 |
0 |
0.000 |
2 |
|
V |
64 |
18 |
5474 |
◊ |
U |
-y+1/2,z,-x+1/2 |
34_555 |
70 |
20 |
6723 |
637.9 |
4.0 |
0.832 |
9 |
5 |
0 |
0.000 |
| Average: |
640.5 |
1.7 |
0.693 |
8 |
7 |
0 |
0.000 |
| 2 |
3 |
|
G |
57 |
10 |
2842 |
◊ |
U |
x,y,z |
1_555 |
54 |
17 |
6723 |
528.9 |
-3.2 |
0.619 |
8 |
0 |
0 |
0.268 |
4 |
|
J |
57 |
9 |
2845 |
◊ |
F |
x,y,z |
1_555 |
50 |
16 |
6997 |
507.3 |
-4.3 |
0.556 |
11 |
0 |
0 |
0.268 |
5 |
|
R |
54 |
8 |
2856 |
◊ |
M |
x,y,z |
1_555 |
53 |
18 |
7070 |
477.8 |
-5.1 |
0.514 |
7 |
0 |
0 |
0.268 |
6 |
|
T |
49 |
8 |
2857 |
◊ |
P |
x,y,z |
1_555 |
50 |
15 |
6949 |
421.3 |
-3.6 |
0.588 |
4 |
0 |
0 |
0.268 |
| Average: |
483.8 |
-4.0 |
0.569 |
8 |
0 |
0 |
0.268 |
| 3 |
7 |
|
K |
59 |
10 |
2807 |
◊ |
F |
x,y,z |
1_555 |
54 |
16 |
6997 |
526.1 |
-5.4 |
0.630 |
9 |
0 |
0 |
0.324 |
8 |
|
Y |
58 |
9 |
2769 |
◊ |
M |
x,y,z |
1_555 |
52 |
15 |
7070 |
492.1 |
-4.4 |
0.643 |
6 |
0 |
0 |
0.324 |
9 |
|
I |
48 |
7 |
2773 |
◊ |
P |
x,y,z |
1_555 |
49 |
16 |
6949 |
458.3 |
-5.3 |
0.566 |
9 |
0 |
0 |
0.324 |
10 |
|
E |
52 |
10 |
2793 |
◊ |
U |
x,y,z |
1_555 |
46 |
17 |
6723 |
446.6 |
-6.3 |
0.532 |
5 |
0 |
0 |
0.324 |
| Average: |
480.8 |
-5.3 |
0.593 |
7 |
0 |
0 |
0.324 |
| 4 |
11 |
|
J |
48 |
12 |
2845 |
◊ |
K |
x,y,z |
1_555 |
53 |
12 |
2807 |
504.2 |
-4.5 |
0.747 |
25 |
0 |
0 |
1.000 |
12 |
|
G |
52 |
12 |
2842 |
◊ |
E |
x,y,z |
1_555 |
52 |
12 |
2793 |
499.5 |
-3.6 |
0.750 |
25 |
0 |
0 |
1.000 |
13 |
|
R |
49 |
12 |
2856 |
◊ |
Y |
x,y,z |
1_555 |
52 |
12 |
2769 |
496.6 |
-5.1 |
0.685 |
26 |
0 |
0 |
1.000 |
14 |
|
T |
48 |
12 |
2857 |
◊ |
I |
x,y,z |
1_555 |
55 |
12 |
2773 |
489.5 |
-3.7 |
0.727 |
23 |
0 |
0 |
1.000 |
| Average: |
497.5 |
-4.2 |
0.727 |
25 |
0 |
0 |
1.000 |
| 5 |
15 |
|
F |
47 |
14 |
6997 |
◊ |
M |
y,z+1/2,x-1/2 |
21_554 |
44 |
12 |
7070 |
419.4 |
-1.1 |
0.426 |
7 |
3 |
0 |
0.000 |
16 |
|
P |
44 |
12 |
6949 |
◊ |
U |
-y+1/2,z,-x+1/2 |
34_555 |
51 |
14 |
6723 |
406.0 |
-0.3 |
0.576 |
3 |
3 |
0 |
0.000 |
| Average: |
412.7 |
-0.7 |
0.501 |
5 |
3 |
0 |
0.000 |
| 6 |
17 |
|
O |
50 |
14 |
5652 |
◊ |
M |
-y+1/2,z,-x+1/2 |
34_555 |
42 |
14 |
7070 |
417.2 |
-1.4 |
0.478 |
8 |
1 |
0 |
0.000 |
18 |
|
V |
48 |
13 |
5474 |
◊ |
P |
x,y,z |
1_555 |
45 |
15 |
6949 |
409.6 |
-1.4 |
0.531 |
4 |
0 |
0 |
0.000 |
| Average: |
413.4 |
-1.4 |
0.504 |
6 |
1 |
0 |
0.000 |
| 7 |
19 |
|
V |
20 |
8 |
5474 |
◊ |
M |
-y+1/2,z,-x+1/2 |
34_555 |
20 |
6 |
7070 |
164.4 |
-3.2 |
0.166 |
0 |
0 |
0 |
0.000 |
20 |
|
P |
21 |
6 |
6949 |
◊ |
O |
x,y,z |
1_555 |
20 |
8 |
5652 |
163.7 |
-2.4 |
0.292 |
0 |
0 |
0 |
0.000 |
| Average: |
164.0 |
-2.8 |
0.229 |
0 |
0 |
0 |
0.000 |
| 8 |
21 |
|
T |
13 |
1 |
2857 |
◊ |
G |
x,y,z |
1_555 |
12 |
1 |
2842 |
102.0 |
4.2 |
0.901 |
0 |
0 |
0 |
0.000 |
| 9 |
22 |
|
T |
14 |
1 |
2857 |
◊ |
J |
-x+1/2,y-1/2,-z |
39_545 |
13 |
1 |
2845 |
99.0 |
3.5 |
0.873 |
0 |
0 |
0 |
0.000 |
23 |
|
R |
13 |
1 |
2856 |
◊ |
G |
x,y,z |
1_555 |
13 |
1 |
2842 |
98.9 |
3.6 |
0.875 |
0 |
0 |
0 |
0.000 |
| Average: |
99.0 |
3.6 |
0.874 |
0 |
0 |
0 |
0.000 |
| 10 |
24 |
|
R |
13 |
1 |
2856 |
◊ |
J |
x,y,z |
1_555 |
12 |
1 |
2845 |
98.8 |
4.2 |
0.905 |
0 |
0 |
0 |
0.000 |
| 11 |
25 |
|
I |
14 |
2 |
2773 |
◊ |
J |
-x+1/2,y-1/2,-z |
39_545 |
12 |
2 |
2845 |
97.1 |
0.1 |
0.680 |
3 |
0 |
0 |
0.000 |
26 |
|
G |
10 |
2 |
2842 |
◊ |
Y |
x,y,z |
1_555 |
13 |
2 |
2769 |
94.1 |
0.0 |
0.664 |
3 |
0 |
0 |
0.000 |
| Average: |
95.6 |
0.1 |
0.672 |
3 |
0 |
0 |
0.000 |
| 12 |
27 |
|
R |
13 |
2 |
2856 |
◊ |
K |
x,y,z |
1_555 |
13 |
2 |
2807 |
95.0 |
-0.7 |
0.637 |
4 |
0 |
0 |
0.000 |
| 13 |
28 |
|
I |
11 |
1 |
2773 |
◊ |
E |
x,y,z |
1_555 |
15 |
1 |
2793 |
94.5 |
1.2 |
0.743 |
0 |
0 |
0 |
0.000 |
| 14 |
29 |
|
T |
11 |
2 |
2857 |
◊ |
E |
x,y,z |
1_555 |
13 |
2 |
2793 |
94.0 |
0.5 |
0.707 |
3 |
0 |
0 |
0.000 |
| 15 |
30 |
|
[SO4]O:299 |
5 |
1 |
185 |
f |
O |
x,y,z |
1_555 |
11 |
5 |
5652 |
90.3 |
-12.9 |
0.610 |
4 |
0 |
0 |
0.100 |
| 16 |
31 |
|
Y |
11 |
1 |
2769 |
◊ |
K |
x,y,z |
1_555 |
14 |
1 |
2807 |
89.6 |
1.2 |
0.757 |
0 |
0 |
0 |
0.000 |
| 17 |
32 |
|
I |
13 |
1 |
2773 |
◊ |
K |
-x+1/2,y-1/2,-z |
39_545 |
13 |
1 |
2807 |
89.6 |
-0.0 |
0.697 |
0 |
0 |
0 |
0.000 |
33 |
|
Y |
14 |
1 |
2769 |
◊ |
E |
x,y,z |
1_555 |
11 |
1 |
2793 |
88.0 |
0.5 |
0.724 |
0 |
0 |
0 |
0.000 |
| Average: |
88.8 |
0.3 |
0.711 |
0 |
0 |
0 |
0.000 |
| 18 |
34 |
|
R |
15 |
2 |
2856 |
◊ |
F |
x,y,z |
1_555 |
10 |
2 |
6997 |
84.9 |
1.2 |
0.748 |
2 |
0 |
0 |
0.000 |
| 19 |
35 |
|
[SO4]V:599 |
5 |
1 |
187 |
f |
V |
x,y,z |
1_555 |
13 |
7 |
5474 |
82.9 |
-11.2 |
0.783 |
3 |
0 |
0 |
0.100 |
| 20 |
36 |
|
T |
12 |
2 |
2857 |
◊ |
U |
x,y,z |
1_555 |
7 |
2 |
6723 |
79.5 |
0.3 |
0.670 |
1 |
0 |
0 |
0.000 |
| 21 |
37 |
|
Y |
11 |
4 |
2769 |
◊ |
U |
x,y,z |
1_555 |
7 |
2 |
6723 |
70.0 |
-0.0 |
0.674 |
0 |
0 |
0 |
0.000 |
38 |
|
I |
11 |
3 |
2773 |
◊ |
F |
-x+1/2,y-1/2,-z |
39_545 |
9 |
3 |
6997 |
66.2 |
0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
| Average: |
68.1 |
0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
| 22 |
39 |
|
P |
11 |
4 |
6949 |
◊ |
M |
-y+1/2,z,-x+1/2 |
34_555 |
10 |
4 |
7070 |
69.8 |
-1.1 |
0.355 |
0 |
0 |
0 |
0.000 |
| 23 |
40 |
|
U |
8 |
4 |
6723 |
◊ |
V |
z,x,y |
5_555 |
5 |
1 |
5474 |
59.8 |
-0.3 |
0.503 |
0 |
0 |
0 |
0.000 |
| 24 |
41 |
|
G |
6 |
1 |
2842 |
◊ |
M |
x,y,z |
1_555 |
6 |
1 |
7070 |
44.2 |
0.9 |
0.658 |
0 |
0 |
0 |
0.000 |
42 |
|
P |
3 |
1 |
6949 |
◊ |
J |
-x+1/2,y-1/2,-z |
39_545 |
3 |
1 |
2845 |
37.7 |
1.3 |
0.730 |
0 |
0 |
0 |
0.000 |
| Average: |
40.9 |
1.1 |
0.694 |
0 |
0 |
0 |
0.000 |
| 25 |
43 |
|
M |
2 |
2 |
7070 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
6997 |
24.8 |
-0.2 |
0.523 |
0 |
0 |
0 |
0.000 |
| 26 |
44 |
|
U |
2 |
1 |
6723 |
◊ |
P |
x,y,z |
1_555 |
4 |
1 |
6949 |
11.6 |
0.4 |
0.749 |
0 |
0 |
0 |
0.000 |
|