| ## |
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 |
|
C |
195 |
55 |
21363 |
x |
C |
-y+1,x-y+1,z |
3_665 |
244 |
69 |
21363 |
2095.0 |
-24.7 |
0.050 |
33 |
13 |
0 |
0.731 |
2 |
|
C |
206 |
52 |
21363 |
◊ |
B |
x,y,z |
1_555 |
188 |
44 |
7875 |
1765.2 |
-15.3 |
0.174 |
30 |
6 |
0 |
0.540 |
3 |
|
A |
144 |
36 |
6475 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
155 |
43 |
21363 |
1401.1 |
-11.1 |
0.430 |
35 |
9 |
0 |
0.627 |
4 |
|
C |
85 |
21 |
21363 |
◊ |
A |
x,y,z |
1_555 |
93 |
30 |
6475 |
832.7 |
-7.2 |
0.338 |
12 |
6 |
0 |
0.191 |
5 |
|
B |
98 |
26 |
7875 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
87 |
26 |
21363 |
823.4 |
-3.0 |
0.397 |
11 |
9 |
0 |
0.094 |
6 |
|
A |
68 |
14 |
6475 |
x |
A |
-y+1,x-y+1,z |
3_665 |
65 |
19 |
6475 |
634.3 |
-7.0 |
0.362 |
10 |
14 |
0 |
1.000 |
7 |
|
C |
48 |
13 |
21363 |
◊ |
C |
x,x-y+1,-z+1/2 |
12_565 |
47 |
13 |
21363 |
412.6 |
-1.7 |
0.588 |
6 |
0 |
0 |
0.037 |
8 |
|
B |
31 |
9 |
7875 |
◊ |
A |
x-y+1,-y+2,-z+1 |
7_676 |
31 |
9 |
6475 |
252.8 |
-1.6 |
0.544 |
1 |
1 |
0 |
0.000 |
9 |
|
B |
20 |
5 |
7875 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
6475 |
199.5 |
-2.5 |
0.289 |
4 |
0 |
0 |
0.061 |
10 |
|
C |
23 |
5 |
21363 |
◊ |
A |
x-y+1,-y+2,-z+1 |
7_676 |
21 |
6 |
6475 |
196.9 |
-1.4 |
0.529 |
2 |
1 |
0 |
0.000 |
11 |
|
C |
17 |
5 |
21363 |
◊ |
A |
-x+1,-x+y,-z+1 |
9_656 |
20 |
7 |
6475 |
163.7 |
-2.3 |
0.360 |
1 |
1 |
0 |
0.000 |
12 |
|
B |
16 |
4 |
7875 |
◊ |
B |
x-y+1,-y+2,-z+1 |
7_676 |
16 |
4 |
7875 |
155.0 |
1.0 |
0.729 |
4 |
4 |
0 |
0.000 |
13 |
|
C |
12 |
4 |
21363 |
◊ |
C |
-x+y,y,-z+1/2 |
10_555 |
12 |
4 |
21363 |
103.8 |
0.1 |
0.647 |
1 |
0 |
0 |
0.003 |
14 |
|
[EDO]C:1575 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
11 |
7 |
21363 |
97.1 |
3.2 |
0.523 |
3 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:1102 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
6475 |
96.9 |
2.8 |
0.532 |
2 |
0 |
0 |
0.000 |
16 |
|
[EDO]B:1127 |
4 |
1 |
184 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
15 |
5 |
21363 |
94.2 |
2.3 |
0.373 |
1 |
0 |
0 |
0.000 |
17 |
|
[EDO]C:1574 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
21363 |
91.6 |
3.2 |
0.459 |
0 |
0 |
0 |
0.000 |
18 |
|
[EDO]C:1576 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
21363 |
90.0 |
3.3 |
0.498 |
1 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:1101 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
6475 |
84.9 |
2.3 |
0.445 |
1 |
0 |
0 |
0.000 |
20 |
|
[SO3]C:1573 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
21 |
11 |
21363 |
80.4 |
-1.8 |
0.196 |
1 |
0 |
0 |
0.051 |
21 |
|
[EDO]C:1577 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
21363 |
78.0 |
2.2 |
0.408 |
0 |
0 |
0 |
0.000 |
22 |
|
C |
11 |
4 |
21363 |
◊ |
C |
y,x,-z+1 |
11_556 |
11 |
4 |
21363 |
67.3 |
-1.2 |
0.380 |
0 |
0 |
0 |
0.000 |
23 |
|
C |
6 |
3 |
21363 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
7 |
3 |
21363 |
65.7 |
-1.2 |
0.273 |
0 |
0 |
0 |
0.010 |
24 |
|
[EDO]A:1101 |
4 |
1 |
185 |
f |
C |
-y+1,x-y+1,z |
3_665 |
8 |
3 |
21363 |
65.7 |
1.8 |
0.869 |
2 |
0 |
0 |
0.000 |
25 |
|
[SO4]B:1128 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
7875 |
62.5 |
-7.6 |
0.883 |
2 |
0 |
0 |
0.156 |
26 |
|
[EDO]A:1102 |
4 |
1 |
188 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
11 |
4 |
21363 |
60.8 |
1.4 |
0.245 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
6 |
3 |
7875 |
f |
[EDO]C:1577 |
-y+1,x-y+1,z |
3_665 |
3 |
1 |
184 |
44.6 |
1.4 |
0.845 |
1 |
0 |
0 |
0.000 |
28 |
|
[NI]C:1571 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
21363 |
37.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.156 |
29 |
|
[NI]C:1572 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
21363 |
36.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.162 |
30 |
|
[EDO]B:1127 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
21363 |
31.4 |
0.4 |
0.732 |
1 |
0 |
0 |
0.002 |
31 |
|
[SO3]C:1573 |
3 |
1 |
183 |
f |
[NI]C:1571 |
x,y,z |
1_555 |
1 |
1 |
115 |
30.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.069 |
32 |
|
[SO3]C:1573 |
4 |
1 |
183 |
f |
[NI]C:1572 |
x,y,z |
1_555 |
1 |
1 |
115 |
29.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.068 |
33 |
|
[EDO]B:1127 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7875 |
26.4 |
0.9 |
0.955 |
1 |
0 |
0 |
0.000 |
34 |
|
B |
2 |
1 |
7875 |
f |
[EDO]C:1575 |
-y+1,x-y+1,z |
3_665 |
1 |
1 |
184 |
18.6 |
0.9 |
0.972 |
1 |
0 |
0 |
0.000 |
35 |
|
[EDO]A:1102 |
3 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
21363 |
15.4 |
0.3 |
0.869 |
0 |
0 |
0 |
0.000 |
36 |
|
[NI]C:1572 |
1 |
1 |
115 |
f |
[NI]C:1571 |
x,y,z |
1_555 |
1 |
1 |
115 |
14.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.067 |
|