| ## |
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 |
305 |
79 |
22021 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
304 |
79 |
22021 |
2839.6 |
-19.8 |
0.112 |
39 |
20 |
0 |
0.475 |
2 |
|
B |
280 |
74 |
21819 |
◊ |
B |
-x+2,y,-z+1/2 |
3_755 |
280 |
74 |
21819 |
2608.2 |
-21.1 |
0.142 |
35 |
20 |
0 |
0.475 |
| Average: |
2723.9 |
-20.5 |
0.127 |
37 |
20 |
0 |
0.475 |
| 2 |
3 |
|
B |
140 |
37 |
21819 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
130 |
34 |
22021 |
1256.2 |
6.7 |
0.934 |
21 |
15 |
0 |
0.000 |
| 3 |
4 |
|
B |
125 |
37 |
21819 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
117 |
35 |
22021 |
1173.8 |
-4.0 |
0.519 |
18 |
8 |
0 |
0.117 |
| 4 |
5 |
|
B |
46 |
17 |
21819 |
◊ |
A |
x,y,z |
1_555 |
49 |
17 |
22021 |
476.5 |
-5.3 |
0.155 |
8 |
1 |
0 |
0.079 |
| 5 |
6 |
|
[TPP]B:705 |
25 |
1 |
594 |
f |
B |
x,y,z |
1_555 |
47 |
22 |
21819 |
320.6 |
-9.0 |
0.289 |
8 |
0 |
0 |
0.296 |
7 |
|
[TPP]A:700 |
25 |
1 |
591 |
f |
A |
x,y,z |
1_555 |
47 |
21 |
22021 |
315.8 |
-9.0 |
0.252 |
8 |
0 |
0 |
0.296 |
| Average: |
318.2 |
-9.0 |
0.271 |
8 |
0 |
0 |
0.296 |
| 6 |
8 |
|
A |
25 |
8 |
22021 |
◊ |
A |
x,-y,-z |
4_555 |
25 |
8 |
22021 |
245.3 |
-1.6 |
0.408 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
28 |
9 |
22021 |
◊ |
A |
x,-y,-z+1 |
4_556 |
28 |
9 |
22021 |
233.3 |
1.1 |
0.739 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[PEG]A:695 |
7 |
1 |
264 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
22021 |
175.4 |
5.0 |
0.551 |
3 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[PEG]A:696 |
7 |
1 |
265 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
22021 |
170.9 |
3.6 |
0.371 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[PEG]B:702 |
7 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
21819 |
155.9 |
4.0 |
0.447 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
A |
14 |
4 |
22021 |
x |
A |
-x+2,-y,z-1/2 |
2_754 |
22 |
8 |
22021 |
152.0 |
-0.5 |
0.306 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[PEG]A:690 |
7 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
22021 |
150.2 |
3.1 |
0.359 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[PEG]A:691 |
7 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
22021 |
140.4 |
3.2 |
0.406 |
2 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[TPP]B:705 |
11 |
1 |
594 |
◊ |
B |
-x+2,y,-z+1/2 |
3_755 |
15 |
8 |
21819 |
128.8 |
0.4 |
0.571 |
0 |
0 |
0 |
0.000 |
17 |
|
[TPP]A:700 |
11 |
1 |
591 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
15 |
8 |
22021 |
128.7 |
0.3 |
0.539 |
0 |
0 |
0 |
0.000 |
| Average: |
128.7 |
0.4 |
0.555 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[PEG]A:692 |
7 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
22021 |
127.8 |
3.7 |
0.407 |
3 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[PO4]B:703 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
21819 |
112.1 |
-8.6 |
0.738 |
10 |
0 |
0 |
0.287 |
20 |
|
[PO4]A:697 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
22021 |
108.6 |
-7.7 |
0.800 |
10 |
0 |
0 |
0.287 |
| Average: |
110.4 |
-8.2 |
0.769 |
10 |
0 |
0 |
0.287 |
| 17 |
21 |
|
B |
14 |
6 |
21819 |
f |
[PEG]A:694 |
x-1/2,y-1/2,z |
5_445 |
6 |
1 |
262 |
100.2 |
1.7 |
0.244 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
B |
15 |
5 |
21819 |
◊ |
[PEG]A:692 |
x-1/2,y-1/2,z |
5_445 |
6 |
1 |
263 |
83.2 |
2.7 |
0.364 |
1 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[PEG]B:701 |
7 |
1 |
264 |
f |
B |
-x+2,y,-z+1/2 |
3_755 |
13 |
3 |
21819 |
78.4 |
0.9 |
0.160 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[PEG]A:693 |
7 |
1 |
263 |
f |
A |
-x+2,y,-z+1/2 |
3_755 |
10 |
5 |
22021 |
76.5 |
1.3 |
0.207 |
1 |
0 |
0 |
0.000 |
| 21 |
25 |
|
B |
12 |
4 |
21819 |
◊ |
[PEG]A:691 |
x-1/2,y-1/2,z |
5_445 |
7 |
1 |
264 |
76.1 |
1.9 |
0.273 |
1 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[PEG]A:693 |
6 |
1 |
263 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
22021 |
75.9 |
1.6 |
0.249 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[PEG]A:694 |
6 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
22021 |
75.3 |
2.2 |
0.234 |
1 |
0 |
0 |
0.000 |
| 24 |
28 |
|
[PEG]B:701 |
6 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
21819 |
66.4 |
1.4 |
0.242 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
B |
8 |
3 |
21819 |
x |
B |
-x+3/2,-y-1/2,z-1/2 |
6_644 |
6 |
3 |
21819 |
59.7 |
0.8 |
0.746 |
2 |
3 |
0 |
0.000 |
| 26 |
30 |
|
A |
6 |
3 |
22021 |
◊ |
B |
-x+2,-y,z-1/2 |
2_754 |
6 |
2 |
21819 |
53.8 |
0.6 |
0.729 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[MG]B:704 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
9 |
21819 |
38.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.139 |
32 |
|
[MG]A:699 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
9 |
22021 |
38.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
38.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.139 |
| 28 |
33 |
|
[TPP]B:705 |
4 |
1 |
594 |
f |
[MG]B:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.119 |
34 |
|
[TPP]A:700 |
5 |
1 |
591 |
f |
[MG]A:699 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.119 |
| Average: |
31.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.119 |
| 29 |
35 |
|
[PEG]A:695 |
2 |
1 |
264 |
f |
[PEG]A:694 |
x,y,z |
1_555 |
3 |
1 |
262 |
27.6 |
0.2 |
0.132 |
1 |
0 |
0 |
0.005 |
| 30 |
36 |
|
[PEG]A:692 |
3 |
1 |
263 |
f |
[PEG]A:691 |
x,y,z |
1_555 |
3 |
1 |
264 |
26.5 |
0.1 |
0.112 |
1 |
0 |
0 |
0.008 |
|