## |
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 |
151 |
47 |
11746 |
◊ |
A |
x,y,z |
1_555 |
154 |
46 |
12003 |
1532.5 |
4.2 |
0.829 |
25 |
23 |
0 |
0.000 |
2 |
2 |
|
B |
69 |
19 |
11746 |
◊ |
A |
-x-1,-y,z |
2_455 |
70 |
22 |
12003 |
662.7 |
2.7 |
0.760 |
8 |
14 |
0 |
0.000 |
3 |
3 |
|
A |
54 |
12 |
12003 |
x |
A |
x,y,z-1 |
1_554 |
63 |
17 |
12003 |
550.3 |
-6.4 |
0.160 |
3 |
3 |
0 |
0.000 |
4 |
|
B |
30 |
8 |
11746 |
x |
B |
x,y,z-1 |
1_554 |
29 |
8 |
11746 |
303.7 |
-5.1 |
0.115 |
2 |
3 |
0 |
0.000 |
Average: |
427.0 |
-5.8 |
0.138 |
3 |
3 |
0 |
0.000 |
4 |
5 |
|
A |
51 |
17 |
12003 |
x |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
44 |
13 |
12003 |
443.1 |
-0.7 |
0.510 |
7 |
3 |
0 |
0.000 |
5 |
6 |
|
B |
56 |
13 |
11746 |
◊ |
B |
-x,-y,z |
2_555 |
55 |
13 |
11746 |
436.6 |
4.0 |
0.861 |
8 |
2 |
0 |
0.000 |
6 |
7 |
|
A |
40 |
14 |
12003 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
41 |
12 |
11746 |
333.8 |
-3.8 |
0.254 |
1 |
1 |
0 |
0.000 |
7 |
8 |
|
A |
22 |
9 |
12003 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
27 |
7 |
11746 |
273.8 |
-1.7 |
0.371 |
1 |
3 |
0 |
0.000 |
8 |
9 |
|
B |
28 |
9 |
11746 |
◊ |
B |
-x-1,-y,z |
2_455 |
28 |
9 |
11746 |
220.2 |
-2.5 |
0.332 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
26 |
9 |
12003 |
◊ |
A |
-x-1,-y,z |
2_455 |
26 |
9 |
12003 |
209.6 |
-2.6 |
0.294 |
0 |
0 |
0 |
0.000 |
Average: |
214.9 |
-2.5 |
0.313 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
[CIT]A:302 |
12 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
29 |
15 |
12003 |
185.2 |
0.3 |
0.253 |
9 |
0 |
0 |
0.011 |
12 |
|
[CIT]B:302 |
12 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
28 |
14 |
11746 |
182.2 |
-0.8 |
0.260 |
9 |
0 |
0 |
0.011 |
Average: |
183.7 |
-0.2 |
0.256 |
9 |
0 |
0 |
0.011 |
10 |
13 |
|
[PEG]B:304 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
23 |
6 |
11746 |
138.9 |
4.1 |
0.438 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
[PEG]B:303 |
7 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
11746 |
104.8 |
2.4 |
0.276 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]A:303 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12003 |
87.9 |
2.7 |
0.273 |
3 |
0 |
0 |
0.000 |
13 |
16 |
|
A |
7 |
2 |
12003 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
2 |
11746 |
77.3 |
1.6 |
0.845 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
B |
9 |
5 |
11746 |
◊ |
A |
-x-1,-y,z-1 |
2_454 |
9 |
5 |
12003 |
73.1 |
-0.5 |
0.498 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[PEG]B:303 |
6 |
1 |
259 |
f |
B |
-x,-y,z |
2_555 |
10 |
4 |
11746 |
66.0 |
0.7 |
0.178 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
A |
4 |
2 |
12003 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
12003 |
50.6 |
1.3 |
0.836 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
B |
3 |
2 |
11746 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
2 |
12003 |
46.0 |
1.5 |
0.921 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11746 |
34.7 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.065 |
22 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12003 |
34.7 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
34.7 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.065 |
19 |
23 |
|
[PEG]B:303 |
3 |
1 |
259 |
◊ |
[PEG]B:303 |
-x,-y,z |
2_555 |
3 |
1 |
259 |
30.2 |
1.3 |
0.207 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[CIT]B:302 |
4 |
1 |
309 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.033 |
25 |
|
[CIT]A:302 |
4 |
1 |
307 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
29.4 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.033 |
21 |
26 |
|
A |
3 |
1 |
12003 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
11746 |
23.9 |
-0.1 |
0.547 |
0 |
0 |
0 |
0.000 |
|