| ## |
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 |
|
A |
113 |
33 |
10588 |
◊ |
A |
x,-y,-z |
4_555 |
113 |
33 |
10588 |
1108.9 |
-1.5 |
0.590 |
10 |
14 |
0 |
0.033 |
| 2 |
2 |
|
A |
51 |
14 |
10588 |
x |
A |
x-1/2,-y-1/2,-z |
8_445 |
44 |
11 |
10588 |
403.0 |
-2.6 |
0.234 |
5 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
34 |
10 |
10588 |
x |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
31 |
9 |
10588 |
277.8 |
-0.3 |
0.538 |
3 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
35 |
15 |
10588 |
◊ |
A |
-x-1,y,-z-1/2 |
3_454 |
34 |
14 |
10588 |
267.7 |
2.3 |
0.850 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[FER]A:250 |
14 |
1 |
367 |
f |
A |
x,y,z |
1_555 |
38 |
16 |
10588 |
249.6 |
6.2 |
0.374 |
4 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[CL]A:254 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
10588 |
71.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.105 |
| 7 |
7 |
|
[CL]A:260 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
10588 |
70.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.113 |
| 8 |
8 |
|
[PE4]A:265 |
5 |
1 |
243 |
◊ |
A |
x,-y-1,-z |
4_545 |
9 |
2 |
10588 |
68.9 |
-1.2 |
0.545 |
0 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[NA]A:251 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
10588 |
67.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.098 |
| 10 |
10 |
|
[CL]A:255 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
10588 |
62.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.091 |
| 11 |
11 |
|
A |
8 |
3 |
10588 |
x |
A |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
10 |
4 |
10588 |
60.1 |
-0.1 |
0.553 |
1 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[CL]A:256 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10588 |
56.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.052 |
| 13 |
13 |
|
[CL]A:258 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10588 |
55.5 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.107 |
14 |
|
[CL]A:257 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10588 |
33.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
44.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.107 |
| 14 |
15 |
|
[CL]A:259 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
11 |
5 |
10588 |
54.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.110 |
| 15 |
16 |
|
[CL]A:263 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10588 |
53.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.063 |
| 16 |
17 |
|
[CL]A:262 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
10588 |
52.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.062 |
| 17 |
18 |
|
[NA]A:252 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
10588 |
50.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.064 |
| 18 |
19 |
|
[CL]A:261 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
10588 |
44.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.053 |
| 19 |
20 |
|
[CL]A:257 |
1 |
1 |
125 |
◊ |
A |
-x-1,y,-z-1/2 |
3_454 |
7 |
3 |
10588 |
43.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.048 |
| 20 |
21 |
|
[CL]A:264 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
10588 |
43.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.048 |
| 21 |
22 |
|
[CL]A:263 |
1 |
1 |
125 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
4 |
2 |
10588 |
41.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[NA]A:253 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
10588 |
41.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.045 |
| 23 |
24 |
|
[PE4]A:265 |
1 |
1 |
243 |
f |
[PE4]A:265 |
x,-y-1,-z |
4_545 |
1 |
1 |
243 |
37.9 |
-1.2 |
0.500 |
0 |
0 |
0 |
0.100 |
| 24 |
25 |
|
[CL]A:259 |
1 |
1 |
125 |
f |
[CL]A:259 |
x,-y,-z |
4_555 |
1 |
1 |
125 |
35.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 25 |
26 |
|
[PE4]A:265 |
2 |
1 |
243 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
5 |
1 |
10588 |
33.6 |
-0.6 |
0.626 |
0 |
0 |
0 |
0.005 |
| 26 |
27 |
|
A |
3 |
1 |
10588 |
◊ |
[NA]A:253 |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
1 |
1 |
125 |
31.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[CL]A:262 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
4 |
1 |
10588 |
30.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
A |
3 |
1 |
10588 |
◊ |
[CL]A:256 |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
125 |
29.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[CL]A:258 |
1 |
1 |
125 |
f |
[CL]A:257 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.053 |
| 30 |
31 |
|
[CL]A:255 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
6 |
2 |
10588 |
26.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
[PE4]A:265 |
3 |
1 |
243 |
◊ |
[CL]A:256 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
125 |
18.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.017 |
| 32 |
33 |
|
[CL]A:261 |
1 |
1 |
125 |
◊ |
A |
-x-1,y,-z-1/2 |
3_454 |
3 |
1 |
10588 |
18.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.018 |
| 33 |
34 |
|
[CL]A:258 |
1 |
1 |
125 |
◊ |
A |
-x-1,y,-z-1/2 |
3_454 |
4 |
2 |
10588 |
16.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.016 |
| 34 |
35 |
|
[CL]A:264 |
1 |
1 |
125 |
f |
[NA]A:253 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 35 |
36 |
|
[CL]A:258 |
1 |
1 |
125 |
◊ |
[CL]A:258 |
-x-1,y,-z-1/2 |
3_454 |
1 |
1 |
125 |
4.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
|