## |
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 |
|
H |
69 |
25 |
11963 |
◊ |
H |
x,-y+1,-z-1 |
2_564 |
69 |
25 |
11963 |
657.3 |
-8.0 |
0.244 |
10 |
4 |
0 |
0.163 |
2 |
|
E |
71 |
26 |
11913 |
◊ |
B |
x,y,z |
1_555 |
70 |
27 |
11913 |
632.7 |
-7.3 |
0.258 |
8 |
3 |
0 |
0.163 |
Average: |
645.0 |
-7.6 |
0.251 |
9 |
4 |
0 |
0.163 |
2 |
3 |
|
H |
25 |
8 |
11963 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
35 |
13 |
11913 |
292.1 |
-4.0 |
0.283 |
0 |
1 |
0 |
0.000 |
3 |
4 |
|
[B4D]H:800 |
22 |
1 |
534 |
f |
H |
x,y,z |
1_555 |
42 |
13 |
11963 |
287.1 |
-11.5 |
0.594 |
3 |
0 |
0 |
0.200 |
4 |
5 |
|
[B4D]B:401 |
22 |
1 |
532 |
f |
E |
x,y,z |
1_555 |
42 |
13 |
11913 |
278.4 |
-11.2 |
0.560 |
6 |
0 |
0 |
0.201 |
5 |
6 |
|
[B4D]B:800 |
22 |
1 |
531 |
f |
B |
x,y,z |
1_555 |
39 |
11 |
11913 |
277.7 |
-11.1 |
0.536 |
6 |
0 |
0 |
0.199 |
6 |
7 |
|
H |
17 |
4 |
11963 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
11913 |
215.3 |
-2.3 |
0.381 |
2 |
2 |
0 |
0.000 |
7 |
8 |
|
B |
16 |
9 |
11913 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
22 |
9 |
11913 |
178.9 |
-0.5 |
0.621 |
2 |
2 |
0 |
0.000 |
8 |
9 |
|
[B4D]B:401 |
18 |
1 |
532 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
11913 |
171.6 |
-3.7 |
0.598 |
1 |
0 |
0 |
0.060 |
9 |
10 |
|
[B4D]H:800 |
19 |
1 |
534 |
◊ |
H |
x,-y+1,-z-1 |
2_564 |
26 |
8 |
11963 |
166.6 |
-3.3 |
0.685 |
1 |
0 |
0 |
0.058 |
10 |
11 |
|
[B4D]B:800 |
18 |
1 |
531 |
◊ |
E |
x,y,z |
1_555 |
23 |
8 |
11913 |
159.6 |
-3.3 |
0.603 |
1 |
0 |
0 |
0.054 |
11 |
12 |
|
B |
24 |
10 |
11913 |
x |
B |
x-1,y,z |
1_455 |
18 |
8 |
11913 |
153.6 |
-2.0 |
0.428 |
0 |
0 |
0 |
0.000 |
13 |
|
H |
21 |
10 |
11963 |
x |
H |
x-1,y,z |
1_455 |
18 |
8 |
11963 |
146.2 |
-2.0 |
0.429 |
0 |
0 |
0 |
0.000 |
14 |
|
E |
21 |
10 |
11913 |
x |
E |
x-1,y,z |
1_455 |
17 |
8 |
11913 |
142.5 |
-1.9 |
0.412 |
0 |
0 |
0 |
0.000 |
Average: |
147.4 |
-2.0 |
0.423 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
E |
9 |
4 |
11913 |
◊ |
B |
x,-y+1,-z |
2_565 |
13 |
4 |
11913 |
108.1 |
-1.4 |
0.380 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
H |
10 |
4 |
11963 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
11913 |
61.3 |
-0.9 |
0.435 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[ZN]H:401 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
11963 |
51.7 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
|
[ZN]E:702 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
11 |
6 |
11913 |
50.5 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
|
[ZN]H:700 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
11913 |
38.4 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
46.9 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[ZN]H:700 |
1 |
1 |
98 |
cf |
H |
x,y,z |
1_555 |
8 |
4 |
11963 |
39.4 |
-19.0 |
0.000 |
0 |
0 |
0 |
0.296 |
16 |
21 |
|
H |
6 |
4 |
11963 |
cf |
[ZN]E:701 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
98 |
38.9 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.344 |
17 |
22 |
|
B |
5 |
2 |
11913 |
◊ |
[ZN]E:700 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
98 |
37.0 |
-17.5 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
[ZN]E:701 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
11913 |
34.5 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
35.7 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
[ZN]E:700 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
11913 |
36.8 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.246 |
19 |
25 |
|
H |
7 |
5 |
11963 |
◊ |
B |
-x,-y+1/2,z-1/2 |
4_554 |
6 |
2 |
11913 |
28.3 |
-0.4 |
0.523 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[ZN]H:401 |
1 |
1 |
98 |
f |
B |
-x,-y+1/2,z-1/2 |
4_554 |
2 |
1 |
11913 |
12.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.076 |
|