## |
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 |
|
H |
193 |
55 |
11708 |
◊ |
L |
x,y,z |
1_555 |
194 |
57 |
11596 |
1720.4 |
-26.8 |
0.047 |
14 |
1 |
0 |
0.261 |
2 |
|
H |
36 |
11 |
11708 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
36 |
11 |
11708 |
329.6 |
1.0 |
0.892 |
10 |
0 |
0 |
0.000 |
3 |
|
L |
30 |
9 |
11596 |
◊ |
L |
-x,y,-z |
2_555 |
30 |
9 |
11596 |
286.3 |
4.7 |
0.945 |
4 |
0 |
0 |
0.000 |
4 |
|
H |
34 |
12 |
11708 |
◊ |
L |
-x,y,-z+1 |
2_556 |
26 |
7 |
11596 |
231.9 |
-1.9 |
0.510 |
1 |
0 |
0 |
0.017 |
5 |
|
L |
19 |
7 |
11596 |
x |
L |
-x+1/2,y-1/2,-z |
4_545 |
24 |
7 |
11596 |
176.6 |
-1.8 |
0.398 |
3 |
0 |
0 |
0.000 |
6 |
|
L |
17 |
6 |
11596 |
x |
L |
x-1/2,y+1/2,z |
3_455 |
18 |
4 |
11596 |
176.4 |
3.3 |
0.906 |
7 |
4 |
0 |
0.000 |
7 |
|
[GOL]H:405 |
6 |
1 |
218 |
f |
H |
x,y,z |
1_555 |
18 |
9 |
11708 |
134.9 |
-0.6 |
0.619 |
3 |
0 |
0 |
0.015 |
8 |
|
[GOL]H:404 |
6 |
1 |
224 |
f |
H |
x,y,z |
1_555 |
20 |
9 |
11708 |
127.8 |
-0.2 |
0.576 |
1 |
0 |
0 |
0.005 |
9 |
|
H |
18 |
7 |
11708 |
◊ |
L |
-x+1,y,-z+1 |
2_656 |
13 |
4 |
11596 |
123.8 |
-1.2 |
0.467 |
0 |
0 |
0 |
0.000 |
10 |
|
[GOL]L:401 |
6 |
1 |
219 |
f |
L |
x,y,z |
1_555 |
19 |
11 |
11596 |
121.8 |
-1.3 |
0.420 |
3 |
0 |
0 |
0.050 |
11 |
|
[SO4]H:504 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
11708 |
91.5 |
-12.6 |
0.861 |
3 |
0 |
0 |
0.109 |
12 |
|
[SO4]L:503 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
9 |
5 |
11596 |
88.9 |
-14.3 |
0.558 |
3 |
0 |
0 |
0.300 |
13 |
|
[GOL]H:403 |
6 |
1 |
224 |
f |
H |
-x+1,y,-z+1 |
2_656 |
14 |
6 |
11708 |
88.7 |
-0.5 |
0.535 |
2 |
0 |
0 |
0.011 |
14 |
|
[GOL]L:406 |
6 |
1 |
221 |
f |
H |
x,y,z |
1_555 |
12 |
7 |
11708 |
87.1 |
-0.7 |
0.550 |
4 |
0 |
0 |
0.019 |
15 |
|
[GOL]L:406 |
6 |
1 |
221 |
◊ |
L |
x,y,z |
1_555 |
15 |
5 |
11596 |
84.0 |
-0.7 |
0.451 |
3 |
0 |
0 |
0.016 |
16 |
|
[GOL]H:400 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
11708 |
83.5 |
-0.4 |
0.571 |
2 |
0 |
0 |
0.010 |
17 |
|
[GOL]H:402 |
6 |
1 |
220 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
11708 |
83.2 |
-0.2 |
0.579 |
2 |
0 |
0 |
0.009 |
18 |
|
[SO4]H:505 |
5 |
1 |
186 |
f |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
6 |
11708 |
81.5 |
-11.9 |
0.825 |
2 |
0 |
0 |
0.101 |
19 |
|
[SO4]L:501 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
10 |
5 |
11596 |
80.8 |
-11.1 |
0.778 |
2 |
0 |
0 |
0.231 |
20 |
|
[SO4]L:500 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
8 |
4 |
11596 |
78.0 |
-10.8 |
0.843 |
4 |
0 |
0 |
0.241 |
21 |
|
[SO4]H:502 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
11708 |
76.7 |
-10.3 |
0.902 |
2 |
0 |
0 |
0.088 |
22 |
|
L |
9 |
4 |
11596 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
2 |
11708 |
67.3 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
23 |
|
[GOL]H:400 |
6 |
1 |
219 |
◊ |
H |
-x+1,y,-z+1 |
2_656 |
8 |
5 |
11708 |
65.3 |
-0.8 |
0.424 |
1 |
0 |
0 |
0.000 |
24 |
|
L |
8 |
4 |
11596 |
◊ |
L |
-x,y,-z+1 |
2_556 |
8 |
4 |
11596 |
63.7 |
-1.7 |
0.222 |
0 |
0 |
0 |
0.016 |
25 |
|
L |
7 |
2 |
11596 |
◊ |
H |
x,y,z-1 |
1_554 |
10 |
5 |
11708 |
61.5 |
-0.2 |
0.622 |
0 |
0 |
0 |
0.000 |
26 |
|
[GOL]H:402 |
4 |
1 |
220 |
◊ |
L |
x,y,z |
1_555 |
10 |
3 |
11596 |
61.3 |
-0.2 |
0.506 |
0 |
0 |
0 |
0.002 |
27 |
|
[GOL]H:403 |
5 |
1 |
224 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
11708 |
57.1 |
-0.0 |
0.580 |
2 |
0 |
0 |
0.000 |
28 |
|
[SO4]L:501 |
2 |
1 |
185 |
◊ |
L |
-x,y,-z+1 |
2_556 |
8 |
5 |
11596 |
45.2 |
-5.7 |
0.792 |
1 |
0 |
0 |
0.119 |
29 |
|
[SO4]H:505 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
11708 |
39.1 |
-4.4 |
0.775 |
1 |
0 |
0 |
0.000 |
30 |
|
[SO4]H:504 |
4 |
1 |
185 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
11708 |
33.1 |
-4.1 |
0.676 |
0 |
0 |
0 |
0.000 |
31 |
|
L |
5 |
2 |
11596 |
◊ |
[SO4]L:500 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
185 |
32.0 |
-3.0 |
0.952 |
0 |
0 |
0 |
0.000 |
32 |
|
L |
2 |
1 |
11596 |
◊ |
[SO4]H:502 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
187 |
30.2 |
-2.7 |
0.943 |
2 |
0 |
0 |
0.000 |
33 |
|
H |
5 |
2 |
11708 |
◊ |
H |
-x+1,y,-z |
2_655 |
5 |
2 |
11708 |
30.0 |
0.2 |
0.743 |
0 |
0 |
0 |
0.000 |
34 |
|
[GOL]H:400 |
2 |
1 |
219 |
◊ |
L |
x,y,z |
1_555 |
4 |
1 |
11596 |
22.8 |
-0.2 |
0.439 |
0 |
0 |
0 |
0.001 |
35 |
|
H |
2 |
1 |
11708 |
x |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
11708 |
22.4 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
36 |
|
[SO4]L:501 |
1 |
1 |
185 |
◊ |
[SO4]L:501 |
-x,y,-z+1 |
2_556 |
1 |
1 |
185 |
19.1 |
-4.6 |
0.800 |
0 |
0 |
0 |
0.044 |
37 |
|
[GOL]H:405 |
4 |
1 |
218 |
f |
[SO4]H:504 |
x,y,z |
1_555 |
4 |
1 |
185 |
19.0 |
-2.2 |
0.756 |
0 |
0 |
0 |
0.017 |
38 |
|
[SO4]L:501 |
4 |
1 |
185 |
◊ |
H |
-x,y,-z+1 |
2_556 |
4 |
1 |
11708 |
18.7 |
-2.0 |
0.759 |
0 |
0 |
0 |
0.014 |
39 |
|
[GOL]H:405 |
3 |
1 |
218 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
11708 |
16.8 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
40 |
|
L |
1 |
1 |
11596 |
◊ |
[SO4]H:502 |
x,y,z-1 |
1_554 |
1 |
1 |
187 |
8.2 |
-1.2 |
0.460 |
0 |
0 |
0 |
0.000 |
41 |
|
[GOL]H:400 |
3 |
1 |
219 |
◊ |
[GOL]H:400 |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
219 |
6.9 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|