## |
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 |
|
M |
183 |
51 |
11434 |
◊ |
J |
x,y,z |
1_555 |
193 |
56 |
11495 |
1719.0 |
-21.3 |
0.114 |
14 |
4 |
0 |
1.000 |
2 |
|
L |
177 |
50 |
11443 |
◊ |
H |
x,y,z |
1_555 |
192 |
57 |
11309 |
1687.5 |
-20.1 |
0.154 |
18 |
4 |
0 |
1.000 |
Average: |
1703.2 |
-20.7 |
0.134 |
16 |
4 |
0 |
1.000 |
2 |
3 |
|
R |
40 |
8 |
1248 |
◊ |
M |
x,y,z |
1_555 |
60 |
14 |
11434 |
429.3 |
0.5 |
0.911 |
12 |
4 |
0 |
0.151 |
4 |
|
P |
40 |
8 |
1120 |
◊ |
L |
x,y,z |
1_555 |
56 |
13 |
11443 |
423.5 |
-0.1 |
0.853 |
10 |
4 |
0 |
0.151 |
Average: |
426.4 |
0.2 |
0.882 |
11 |
4 |
0 |
0.151 |
3 |
5 |
|
L |
34 |
12 |
11443 |
◊ |
M |
x-1,y,z |
1_455 |
32 |
10 |
11434 |
257.3 |
0.6 |
0.752 |
4 |
3 |
0 |
0.000 |
6 |
|
L |
31 |
10 |
11443 |
◊ |
M |
x-1,y,z-1 |
1_454 |
35 |
11 |
11434 |
241.2 |
0.9 |
0.795 |
5 |
3 |
0 |
0.000 |
Average: |
249.2 |
0.7 |
0.774 |
5 |
3 |
0 |
0.000 |
4 |
7 |
|
M |
20 |
7 |
11434 |
◊ |
J |
x-1,y,z |
1_455 |
28 |
9 |
11495 |
198.5 |
-1.4 |
0.494 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
H |
26 |
8 |
11309 |
◊ |
M |
x-1,y,z |
1_455 |
25 |
8 |
11434 |
198.1 |
-1.1 |
0.521 |
3 |
0 |
0 |
0.000 |
9 |
|
L |
22 |
8 |
11443 |
◊ |
J |
x-1,y,z-1 |
1_454 |
25 |
8 |
11495 |
192.1 |
-0.1 |
0.602 |
3 |
0 |
0 |
0.000 |
Average: |
195.1 |
-0.6 |
0.562 |
3 |
0 |
0 |
0.000 |
6 |
10 |
|
R |
23 |
5 |
1248 |
◊ |
J |
x,y,z |
1_555 |
26 |
7 |
11495 |
195.9 |
-1.9 |
0.613 |
2 |
0 |
0 |
0.076 |
11 |
|
P |
17 |
4 |
1120 |
◊ |
H |
x,y,z |
1_555 |
19 |
7 |
11309 |
155.3 |
-0.9 |
0.660 |
2 |
0 |
0 |
0.076 |
Average: |
175.6 |
-1.4 |
0.637 |
2 |
0 |
0 |
0.076 |
7 |
12 |
|
P |
20 |
5 |
1120 |
◊ |
M |
x-1,y,z-1 |
1_454 |
27 |
10 |
11434 |
188.7 |
-1.5 |
0.643 |
2 |
0 |
0 |
0.077 |
13 |
|
L |
20 |
8 |
11443 |
◊ |
R |
x-1,y,z |
1_455 |
20 |
6 |
1248 |
173.4 |
-1.7 |
0.611 |
2 |
0 |
0 |
0.077 |
Average: |
181.0 |
-1.6 |
0.627 |
2 |
0 |
0 |
0.077 |
8 |
14 |
|
H |
18 |
7 |
11309 |
◊ |
J |
x-1,y-1,z |
1_445 |
19 |
7 |
11495 |
182.6 |
0.0 |
0.687 |
4 |
0 |
0 |
0.000 |
15 |
|
H |
17 |
7 |
11309 |
◊ |
J |
x-1,y-1,z-1 |
1_444 |
21 |
7 |
11495 |
170.1 |
-0.4 |
0.626 |
3 |
0 |
0 |
0.000 |
Average: |
176.3 |
-0.2 |
0.657 |
4 |
0 |
0 |
0.000 |
9 |
16 |
|
H |
22 |
8 |
11309 |
◊ |
R |
x-1,y,z |
1_455 |
17 |
5 |
1248 |
160.6 |
-1.3 |
0.649 |
3 |
0 |
0 |
0.078 |
17 |
|
P |
15 |
5 |
1120 |
◊ |
J |
x-1,y,z-1 |
1_454 |
20 |
7 |
11495 |
143.1 |
-0.9 |
0.650 |
3 |
0 |
0 |
0.078 |
Average: |
151.9 |
-1.1 |
0.650 |
3 |
0 |
0 |
0.078 |
10 |
18 |
|
L |
16 |
5 |
11443 |
◊ |
J |
x-1,y,z |
1_455 |
19 |
6 |
11495 |
145.3 |
-0.3 |
0.618 |
3 |
1 |
0 |
0.000 |
19 |
|
H |
17 |
5 |
11309 |
◊ |
M |
x-1,y,z-1 |
1_454 |
16 |
5 |
11434 |
133.9 |
-0.1 |
0.665 |
3 |
2 |
0 |
0.000 |
Average: |
139.6 |
-0.2 |
0.641 |
3 |
2 |
0 |
0.000 |
11 |
20 |
|
H |
8 |
3 |
11309 |
◊ |
M |
x-1,y-1,z-1 |
1_444 |
10 |
3 |
11434 |
83.5 |
0.8 |
0.714 |
3 |
0 |
0 |
0.000 |
21 |
|
L |
9 |
3 |
11443 |
◊ |
J |
x-1,y-1,z |
1_445 |
7 |
2 |
11495 |
77.6 |
0.7 |
0.670 |
3 |
0 |
0 |
0.000 |
Average: |
80.5 |
0.8 |
0.692 |
3 |
0 |
0 |
0.000 |
12 |
22 |
|
[NH2]R:109 |
1 |
1 |
117 |
cf |
R |
x,y,z |
1_555 |
4 |
1 |
1248 |
50.1 |
0.1 |
0.623 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
H |
8 |
2 |
11309 |
◊ |
J |
x-1,y,z-1 |
1_454 |
3 |
1 |
11495 |
49.1 |
0.5 |
0.728 |
1 |
0 |
0 |
0.000 |
24 |
|
H |
3 |
1 |
11309 |
◊ |
J |
x-1,y,z |
1_455 |
6 |
2 |
11495 |
41.5 |
0.3 |
0.686 |
1 |
0 |
0 |
0.000 |
Average: |
45.3 |
0.4 |
0.707 |
1 |
0 |
0 |
0.000 |
14 |
25 |
|
[NH2]P:108 |
1 |
1 |
117 |
cf |
P |
x,y,z |
1_555 |
7 |
4 |
1120 |
48.6 |
0.5 |
0.790 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
H |
9 |
5 |
11309 |
◊ |
[NH2]R:109 |
x-1,y,z |
1_455 |
1 |
1 |
117 |
39.3 |
0.3 |
0.751 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
[NH2]P:108 |
1 |
1 |
117 |
◊ |
J |
x-1,y,z-1 |
1_454 |
6 |
2 |
11495 |
36.7 |
0.5 |
0.791 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
[NH2]P:108 |
1 |
1 |
117 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
11443 |
4.0 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
[NH2]R:109 |
1 |
1 |
117 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
11495 |
0.4 |
-0.0 |
0.763 |
0 |
0 |
0 |
0.000 |
|