## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
229 |
64 |
12960 |
◊ |
A |
x,y,z |
1_555 |
221 |
62 |
12029 |
2091.7 |
-26.6 |
0.040 |
16 |
1 |
0 |
0.830 |
2 |
|
L |
140 |
35 |
6865 |
◊ |
H |
x,y,z |
1_555 |
145 |
43 |
15539 |
1334.1 |
-9.1 |
0.231 |
19 |
6 |
0 |
0.679 |
3 |
|
P |
54 |
9 |
1329 |
◊ |
H |
x,y,z |
1_555 |
107 |
36 |
15539 |
762.3 |
-9.5 |
0.442 |
15 |
2 |
0 |
0.378 |
4 |
|
A |
63 |
24 |
12029 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
52 |
17 |
12960 |
532.2 |
0.5 |
0.753 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
59 |
16 |
12029 |
◊ |
H |
x-1,y,z |
1_455 |
48 |
12 |
15539 |
445.2 |
-2.6 |
0.381 |
8 |
0 |
0 |
0.000 |
6 |
|
B |
38 |
13 |
12960 |
◊ |
H |
x,y,z |
1_555 |
44 |
11 |
15539 |
394.1 |
-3.5 |
0.237 |
4 |
1 |
0 |
0.051 |
7 |
|
A |
38 |
12 |
12029 |
◊ |
H |
x,y,z |
1_555 |
40 |
15 |
15539 |
335.7 |
-1.8 |
0.434 |
3 |
0 |
0 |
0.030 |
8 |
|
A |
34 |
11 |
12029 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
10 |
6865 |
300.9 |
0.4 |
0.684 |
8 |
0 |
0 |
0.000 |
9 |
|
B |
27 |
9 |
12960 |
◊ |
H |
x-1,y,z+1 |
1_456 |
35 |
10 |
15539 |
288.2 |
1.5 |
0.770 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
28 |
8 |
12029 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
28 |
7 |
15539 |
220.4 |
-0.3 |
0.555 |
1 |
1 |
0 |
0.000 |
11 |
|
A |
26 |
9 |
12029 |
◊ |
P |
x,y,z |
1_555 |
20 |
7 |
1329 |
213.6 |
-3.6 |
0.519 |
0 |
0 |
0 |
0.075 |
12 |
|
H |
25 |
5 |
15539 |
x |
H |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
5 |
15539 |
193.8 |
-0.9 |
0.457 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
19 |
5 |
12029 |
◊ |
H |
x-1,y,z+1 |
1_456 |
19 |
3 |
15539 |
159.5 |
3.0 |
0.894 |
3 |
0 |
0 |
0.000 |
14 |
|
B |
19 |
7 |
12960 |
◊ |
P |
x,y,z |
1_555 |
16 |
5 |
1329 |
155.1 |
-1.8 |
0.647 |
4 |
0 |
0 |
0.075 |
15 |
|
B |
9 |
3 |
12960 |
◊ |
L |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
7 |
6865 |
104.5 |
-1.4 |
0.171 |
1 |
0 |
0 |
0.000 |
16 |
|
H |
12 |
5 |
15539 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
12960 |
82.3 |
0.8 |
0.732 |
2 |
0 |
0 |
0.000 |
17 |
|
B |
10 |
4 |
12960 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
11 |
4 |
15539 |
75.6 |
0.2 |
0.530 |
0 |
0 |
0 |
0.000 |
18 |
|
[CL]A:1 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12029 |
61.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.170 |
19 |
|
[CL]A:1 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
15539 |
43.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.049 |
20 |
|
[SO4]L:800 |
3 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
4 |
2 |
6865 |
43.2 |
-4.6 |
0.893 |
0 |
0 |
0 |
0.168 |
21 |
|
[SO4]L:800 |
3 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
15539 |
37.2 |
-3.7 |
0.943 |
1 |
0 |
0 |
0.153 |
22 |
|
A |
3 |
1 |
12029 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
12029 |
36.7 |
-0.1 |
0.249 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
3 |
1 |
12960 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
15539 |
28.3 |
0.1 |
0.528 |
0 |
0 |
0 |
0.000 |
24 |
|
H |
3 |
2 |
15539 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
6865 |
24.8 |
0.7 |
0.560 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
2 |
2 |
12029 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
15539 |
8.3 |
-0.1 |
0.542 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
1 |
1 |
12029 |
◊ |
L |
x-1,y,z |
1_455 |
1 |
1 |
6865 |
5.1 |
0.1 |
0.759 |
0 |
0 |
0 |
0.000 |
|