| ## |
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 |
|
B |
187 |
50 |
7238 |
◊ |
B |
-x+2,-y,z |
2_755 |
188 |
51 |
7238 |
1683.1 |
-22.9 |
0.194 |
18 |
2 |
0 |
0.609 |
2 |
|
A |
186 |
49 |
7833 |
◊ |
A |
-x+2,-y,z |
2_755 |
187 |
49 |
7833 |
1667.9 |
-20.3 |
0.202 |
24 |
6 |
0 |
0.609 |
| Average: |
1675.5 |
-21.6 |
0.198 |
21 |
4 |
0 |
0.609 |
| 2 |
3 |
|
B |
56 |
16 |
7238 |
◊ |
A |
-x+2,-y,z |
2_755 |
55 |
16 |
7833 |
540.6 |
-9.8 |
0.098 |
2 |
0 |
0 |
0.153 |
| 3 |
4 |
|
A |
42 |
10 |
7833 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
41 |
16 |
7238 |
393.3 |
-0.3 |
0.744 |
6 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[BTN]A:1128 |
16 |
1 |
411 |
◊ |
A |
x,y,z |
1_555 |
47 |
18 |
7833 |
262.1 |
3.8 |
0.449 |
7 |
0 |
0 |
0.000 |
6 |
|
[BTN]B:1128 |
16 |
1 |
417 |
◊ |
B |
x,y,z |
1_555 |
47 |
18 |
7238 |
259.1 |
3.8 |
0.459 |
7 |
0 |
0 |
0.000 |
| Average: |
260.6 |
3.8 |
0.454 |
7 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
12 |
4 |
7238 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
7833 |
143.6 |
-5.5 |
0.014 |
0 |
0 |
0 |
0.079 |
| 6 |
8 |
|
B |
12 |
5 |
7238 |
◊ |
B |
-x+2,-y+1,z |
2_765 |
12 |
5 |
7238 |
127.8 |
-1.2 |
0.474 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[PEG]A:1127 |
7 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
7833 |
124.9 |
3.4 |
0.409 |
1 |
0 |
0 |
0.000 |
10 |
|
1[PEG]A:1127 |
7 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
7238 |
115.2 |
3.2 |
0.393 |
1 |
0 |
0 |
0.000 |
| Average: |
120.1 |
3.3 |
0.401 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
19 |
6 |
7833 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
3_646 |
9 |
2 |
7238 |
123.2 |
1.3 |
0.814 |
3 |
1 |
0 |
0.000 |
| 9 |
12 |
|
A |
13 |
4 |
7833 |
◊ |
A |
-x+2,-y-1,z |
2_745 |
13 |
4 |
7833 |
122.6 |
0.5 |
0.747 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
B |
14 |
4 |
7238 |
◊ |
A |
-x+2,-y,z-1 |
2_754 |
9 |
3 |
7833 |
111.0 |
1.9 |
0.843 |
2 |
1 |
0 |
0.000 |
| 11 |
14 |
|
A |
15 |
5 |
7833 |
x |
A |
x,y-1,z |
1_545 |
10 |
5 |
7833 |
107.9 |
2.5 |
0.869 |
2 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[ACT]A:1126 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
7833 |
102.9 |
-0.1 |
0.731 |
3 |
0 |
0 |
0.055 |
16 |
|
1[ACT]A:1126 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
7238 |
69.2 |
-0.4 |
0.650 |
1 |
0 |
0 |
0.055 |
| Average: |
86.0 |
-0.3 |
0.690 |
2 |
0 |
0 |
0.055 |
| 13 |
17 |
|
[PO4]B:1123 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
7238 |
99.7 |
-6.2 |
0.749 |
6 |
0 |
0 |
0.324 |
| 14 |
18 |
|
[PO4]A:1129 |
5 |
1 |
188 |
f |
A |
-x+2,-y,z |
2_755 |
14 |
4 |
7833 |
89.8 |
-4.7 |
0.860 |
6 |
0 |
0 |
0.282 |
| 15 |
19 |
|
A |
13 |
6 |
7833 |
x |
A |
-x+3/2,y-1/2,-z+1 |
3_646 |
7 |
3 |
7833 |
79.9 |
1.7 |
0.823 |
2 |
0 |
0 |
0.000 |
| 16 |
20 |
|
A |
11 |
4 |
7833 |
f |
[PEG]A:1127 |
-x+3/2,y-1/2,-z+1 |
3_646 |
7 |
1 |
257 |
72.6 |
0.1 |
0.119 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
B |
9 |
3 |
7238 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
2 |
7833 |
64.1 |
1.9 |
0.901 |
2 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[PO4]A:1129 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
7833 |
61.2 |
-1.7 |
0.945 |
0 |
0 |
0 |
0.065 |
| 19 |
23 |
|
[PO4]B:1123 |
4 |
1 |
188 |
◊ |
B |
-x+2,-y,z |
2_755 |
10 |
5 |
7238 |
56.2 |
-2.1 |
0.910 |
0 |
0 |
0 |
0.077 |
| 20 |
24 |
|
[BTN]B:1128 |
8 |
1 |
417 |
◊ |
A |
-x+2,-y,z |
2_755 |
8 |
1 |
7833 |
49.4 |
0.6 |
0.211 |
0 |
0 |
0 |
0.000 |
25 |
|
[BTN]A:1128 |
7 |
1 |
411 |
◊ |
B |
-x+2,-y,z |
2_755 |
8 |
1 |
7238 |
46.3 |
0.6 |
0.254 |
0 |
0 |
0 |
0.000 |
| Average: |
47.9 |
0.6 |
0.233 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
A |
2 |
1 |
7833 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
2 |
1 |
7833 |
36.8 |
-0.3 |
0.382 |
1 |
0 |
0 |
0.000 |
| 22 |
27 |
|
B |
4 |
4 |
7238 |
◊ |
A |
-x+3/2,y-1/2,-z+1 |
3_646 |
4 |
3 |
7833 |
26.3 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[PO4]A:1129 |
3 |
1 |
188 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
3_646 |
3 |
2 |
7238 |
24.8 |
-0.6 |
0.943 |
1 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[PEG]A:1127 |
1 |
1 |
257 |
◊ |
[ACT]A:1126 |
x,y,z |
1_555 |
3 |
1 |
183 |
9.0 |
0.4 |
0.443 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
A |
1 |
1 |
7833 |
f |
[BTN]B:1128 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
417 |
8.0 |
0.2 |
0.354 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
B |
2 |
2 |
7238 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
2 |
7833 |
2.7 |
-0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
|