| ## |
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 |
|
H |
130 |
33 |
8975 |
◊ |
G |
x,y,z |
1_555 |
127 |
34 |
8981 |
1196.9 |
-6.3 |
0.656 |
25 |
2 |
0 |
1.000 |
2 |
|
B |
122 |
34 |
8636 |
◊ |
A |
x,y,z |
1_555 |
126 |
34 |
9004 |
1167.1 |
-7.4 |
0.758 |
25 |
2 |
0 |
1.000 |
3 |
|
D |
125 |
34 |
8999 |
◊ |
C |
x,y,z |
1_555 |
122 |
34 |
8782 |
1161.9 |
-7.1 |
0.674 |
28 |
3 |
0 |
1.000 |
4 |
|
F |
123 |
33 |
9016 |
◊ |
E |
x,y,z |
1_555 |
122 |
33 |
9362 |
1156.4 |
-6.3 |
0.653 |
24 |
3 |
0 |
1.000 |
5 |
|
L |
122 |
34 |
8981 |
◊ |
K |
x,y,z |
1_555 |
121 |
34 |
8843 |
1149.3 |
-6.9 |
0.673 |
26 |
2 |
0 |
1.000 |
6 |
|
J |
121 |
33 |
9012 |
◊ |
I |
x,y,z |
1_555 |
113 |
35 |
8820 |
1095.7 |
-6.2 |
0.684 |
25 |
3 |
0 |
1.000 |
| Average: |
1154.6 |
-6.7 |
0.683 |
26 |
3 |
0 |
1.000 |
| 2 |
7 |
|
H |
90 |
25 |
8975 |
◊ |
F |
x,y,z |
1_555 |
91 |
25 |
9016 |
823.2 |
-3.5 |
0.672 |
12 |
10 |
0 |
0.371 |
8 |
|
G |
91 |
25 |
8981 |
◊ |
E |
x,y,z |
1_555 |
91 |
24 |
9362 |
819.4 |
-5.5 |
0.573 |
10 |
8 |
0 |
0.371 |
9 |
|
D |
89 |
25 |
8999 |
◊ |
B |
x,y,z |
1_555 |
86 |
23 |
8636 |
806.7 |
-5.5 |
0.646 |
11 |
10 |
0 |
0.371 |
10 |
|
L |
89 |
25 |
8981 |
◊ |
J |
x,y,z |
1_555 |
91 |
25 |
9012 |
805.0 |
-5.9 |
0.563 |
8 |
7 |
0 |
0.371 |
11 |
|
K |
90 |
25 |
8843 |
◊ |
I |
x,y,z |
1_555 |
90 |
24 |
8820 |
804.1 |
-5.3 |
0.636 |
8 |
8 |
0 |
0.371 |
12 |
|
C |
89 |
24 |
8782 |
◊ |
A |
x,y,z |
1_555 |
89 |
23 |
9004 |
791.0 |
-5.7 |
0.654 |
11 |
11 |
0 |
0.371 |
| Average: |
808.3 |
-5.2 |
0.624 |
10 |
9 |
0 |
0.371 |
| 3 |
13 |
|
C |
54 |
16 |
8782 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
50 |
16 |
8981 |
489.1 |
-2.8 |
0.651 |
3 |
1 |
0 |
0.000 |
| 4 |
14 |
|
E |
45 |
15 |
9362 |
◊ |
K |
-x-1,y-1/2,-z |
2_445 |
39 |
17 |
8843 |
403.1 |
-2.7 |
0.576 |
4 |
2 |
0 |
0.000 |
| 5 |
15 |
|
H |
35 |
9 |
8975 |
◊ |
E |
x,y,z |
1_555 |
38 |
9 |
9362 |
284.9 |
-0.4 |
0.727 |
0 |
0 |
0 |
0.076 |
16 |
|
G |
35 |
9 |
8981 |
◊ |
F |
x,y,z |
1_555 |
37 |
10 |
9016 |
265.5 |
-0.9 |
0.700 |
0 |
0 |
0 |
0.076 |
17 |
|
K |
38 |
9 |
8843 |
◊ |
J |
x,y,z |
1_555 |
35 |
9 |
9012 |
260.4 |
-1.8 |
0.641 |
0 |
0 |
0 |
0.076 |
18 |
|
L |
37 |
9 |
8981 |
◊ |
I |
x,y,z |
1_555 |
37 |
9 |
8820 |
258.8 |
-1.5 |
0.660 |
0 |
0 |
0 |
0.076 |
19 |
|
D |
37 |
9 |
8999 |
◊ |
A |
x,y,z |
1_555 |
36 |
9 |
9004 |
253.3 |
-0.8 |
0.731 |
0 |
0 |
0 |
0.076 |
20 |
|
C |
33 |
8 |
8782 |
◊ |
B |
x,y,z |
1_555 |
34 |
8 |
8636 |
225.1 |
-1.8 |
0.672 |
0 |
0 |
0 |
0.076 |
| Average: |
258.0 |
-1.2 |
0.688 |
0 |
0 |
0 |
0.076 |
| 6 |
21 |
|
I |
32 |
11 |
8820 |
◊ |
H |
x,y,z |
1_555 |
26 |
8 |
8975 |
242.7 |
-1.3 |
0.623 |
2 |
0 |
0 |
0.002 |
| 7 |
22 |
|
J |
29 |
10 |
9012 |
◊ |
D |
x,y,z-1 |
1_554 |
28 |
9 |
8999 |
230.1 |
-3.2 |
0.385 |
2 |
0 |
0 |
0.000 |
| 8 |
23 |
|
F |
20 |
7 |
9016 |
◊ |
H |
x-1,y,z |
1_455 |
24 |
7 |
8975 |
216.3 |
0.3 |
0.747 |
2 |
2 |
0 |
0.000 |
| 9 |
24 |
|
K |
22 |
7 |
8843 |
◊ |
H |
x,y,z |
1_555 |
28 |
7 |
8975 |
212.6 |
-1.8 |
0.525 |
2 |
0 |
0 |
0.013 |
| 10 |
25 |
|
G |
30 |
9 |
8981 |
◊ |
C |
x,y,z |
1_555 |
25 |
7 |
8782 |
196.3 |
-2.0 |
0.553 |
0 |
0 |
0 |
0.000 |
26 |
|
E |
21 |
6 |
9362 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
9004 |
157.7 |
-2.2 |
0.446 |
0 |
0 |
0 |
0.000 |
| Average: |
177.0 |
-2.1 |
0.500 |
0 |
0 |
0 |
0.000 |
| 11 |
27 |
|
B |
17 |
5 |
8636 |
◊ |
D |
x-1,y,z |
1_455 |
23 |
7 |
8999 |
155.4 |
0.6 |
0.819 |
2 |
0 |
0 |
0.000 |
| 12 |
28 |
|
E |
14 |
6 |
9362 |
◊ |
H |
x-1,y,z |
1_455 |
15 |
7 |
8975 |
136.9 |
0.6 |
0.780 |
1 |
0 |
0 |
0.000 |
| 13 |
29 |
|
E |
12 |
5 |
9362 |
◊ |
G |
x-1,y,z |
1_455 |
16 |
6 |
8981 |
116.6 |
1.1 |
0.826 |
3 |
0 |
0 |
0.000 |
| 14 |
30 |
|
[SO4]K:1 |
5 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
10 |
4 |
8843 |
80.5 |
-8.9 |
0.918 |
2 |
0 |
0 |
0.343 |
| 15 |
31 |
|
B |
9 |
4 |
8636 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
5 |
2 |
9004 |
78.2 |
-0.6 |
0.478 |
2 |
0 |
0 |
0.000 |
| 16 |
32 |
|
[SO4]B:2 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
3 |
8636 |
73.5 |
-10.6 |
0.831 |
2 |
0 |
0 |
0.481 |
| 17 |
33 |
|
[SO4]B:2 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
8782 |
70.7 |
-10.1 |
0.843 |
1 |
0 |
0 |
0.443 |
| 18 |
34 |
|
J |
7 |
3 |
9012 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
5 |
8636 |
59.8 |
0.0 |
0.705 |
0 |
0 |
0 |
0.000 |
| 19 |
35 |
|
[SO4]K:1 |
5 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
8975 |
57.8 |
-7.9 |
0.608 |
1 |
0 |
0 |
0.040 |
| 20 |
36 |
|
I |
5 |
2 |
8820 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
4 |
2 |
8975 |
29.3 |
0.8 |
0.831 |
0 |
0 |
0 |
0.000 |
| 21 |
37 |
|
G |
3 |
3 |
8981 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
3 |
3 |
8981 |
20.8 |
0.7 |
0.811 |
0 |
0 |
0 |
0.000 |
| 22 |
38 |
|
A |
3 |
1 |
9004 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
8981 |
20.5 |
0.6 |
0.896 |
0 |
0 |
0 |
0.000 |
| 23 |
39 |
|
F |
1 |
1 |
9016 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
8981 |
8.3 |
0.2 |
0.823 |
0 |
0 |
0 |
0.000 |
|