## |
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 |
|
C |
61 |
8 |
2795 |
◊ |
B |
x,y,z |
1_555 |
70 |
15 |
8245 |
565.2 |
-8.2 |
0.563 |
14 |
0 |
0 |
1.000 |
2 |
|
H |
60 |
8 |
2798 |
◊ |
A |
x,y,z |
1_555 |
71 |
15 |
8200 |
563.3 |
-9.7 |
0.503 |
13 |
0 |
0 |
1.000 |
Average: |
564.3 |
-9.0 |
0.533 |
14 |
0 |
0 |
1.000 |
2 |
3 |
|
D |
52 |
12 |
2832 |
◊ |
C |
x,y,z |
1_555 |
52 |
12 |
2795 |
512.9 |
-10.4 |
0.546 |
29 |
0 |
0 |
0.367 |
4 |
|
I |
52 |
12 |
2839 |
◊ |
H |
x,y,z |
1_555 |
52 |
12 |
2798 |
510.0 |
-9.7 |
0.590 |
29 |
0 |
0 |
0.367 |
Average: |
511.5 |
-10.1 |
0.568 |
29 |
0 |
0 |
0.367 |
3 |
5 |
|
D |
54 |
8 |
2832 |
◊ |
B |
x,y,z |
1_555 |
65 |
16 |
8245 |
507.3 |
-9.0 |
0.542 |
10 |
0 |
0 |
1.000 |
6 |
|
I |
51 |
8 |
2839 |
◊ |
A |
x,y,z |
1_555 |
61 |
14 |
8200 |
475.5 |
-8.5 |
0.502 |
15 |
0 |
0 |
1.000 |
Average: |
491.4 |
-8.7 |
0.522 |
13 |
0 |
0 |
1.000 |
4 |
7 |
|
B |
43 |
13 |
8245 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
8200 |
474.8 |
-3.3 |
0.513 |
5 |
2 |
0 |
0.000 |
5 |
8 |
|
A |
29 |
9 |
8200 |
◊ |
B |
x,y,z-1 |
1_554 |
27 |
8 |
8245 |
258.3 |
-2.4 |
0.463 |
2 |
1 |
0 |
0.000 |
9 |
|
A |
23 |
7 |
8200 |
◊ |
B |
x,y-1,z |
1_545 |
27 |
9 |
8245 |
239.8 |
-2.3 |
0.464 |
2 |
0 |
0 |
0.000 |
Average: |
249.0 |
-2.3 |
0.464 |
2 |
1 |
0 |
0.000 |
6 |
10 |
|
C |
19 |
2 |
2795 |
x |
C |
x-1,y,z |
1_455 |
16 |
2 |
2795 |
133.1 |
2.1 |
0.778 |
1 |
0 |
0 |
0.000 |
11 |
|
H |
16 |
2 |
2798 |
x |
H |
x-1,y,z |
1_455 |
19 |
2 |
2798 |
131.3 |
2.0 |
0.794 |
1 |
0 |
0 |
0.000 |
Average: |
132.2 |
2.1 |
0.786 |
1 |
0 |
0 |
0.000 |
7 |
12 |
|
I |
18 |
3 |
2839 |
x |
I |
x-1,y,z |
1_455 |
14 |
2 |
2839 |
128.2 |
3.9 |
0.905 |
0 |
0 |
0 |
0.000 |
13 |
|
D |
15 |
2 |
2832 |
x |
D |
x-1,y,z |
1_455 |
18 |
2 |
2832 |
127.0 |
3.6 |
0.895 |
0 |
0 |
0 |
0.000 |
Average: |
127.6 |
3.7 |
0.900 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
I |
4 |
1 |
2839 |
◊ |
H |
x-1,y,z |
1_455 |
5 |
1 |
2798 |
38.2 |
0.5 |
0.646 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
5 |
1 |
2795 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
1 |
2832 |
38.1 |
0.5 |
0.638 |
1 |
0 |
0 |
0.000 |
Average: |
38.2 |
0.5 |
0.642 |
1 |
0 |
0 |
0.000 |
9 |
16 |
|
D |
5 |
1 |
2832 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
1 |
2795 |
24.2 |
-0.8 |
0.510 |
0 |
0 |
0 |
0.000 |
17 |
|
H |
5 |
1 |
2798 |
◊ |
I |
x-1,y,z |
1_455 |
5 |
1 |
2839 |
20.6 |
-0.6 |
0.531 |
0 |
0 |
0 |
0.000 |
Average: |
22.4 |
-0.7 |
0.521 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
[ZN]B:706 |
1 |
1 |
98 |
f |
[ZN]B:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.2 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.253 |
11 |
19 |
|
[ZN]B:702 |
1 |
1 |
98 |
f |
[ZN]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.2 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.035 |
12 |
20 |
|
[ZN]A:703 |
1 |
1 |
98 |
f |
[ZN]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.1 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.248 |
13 |
21 |
|
[ZN]B:705 |
1 |
1 |
98 |
f |
[ZN]B:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.0 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.249 |
14 |
22 |
|
[ZN]A:702 |
1 |
1 |
98 |
f |
[ZN]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.0 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.247 |
15 |
23 |
|
[ZN]A:705 |
1 |
1 |
98 |
f |
[ZN]A:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.0 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.035 |
16 |
24 |
|
[ZN]A:706 |
1 |
1 |
98 |
f |
[ZN]A:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.034 |
17 |
25 |
|
[ZN]B:703 |
1 |
1 |
98 |
f |
[ZN]B:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.2 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.033 |
18 |
26 |
|
[ZN]B:706 |
1 |
1 |
98 |
f |
[ZN]B:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.232 |
19 |
27 |
|
[ZN]A:703 |
1 |
1 |
98 |
f |
[ZN]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.227 |
20 |
28 |
|
[ZN]B:703 |
1 |
1 |
98 |
f |
[ZN]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.032 |
21 |
29 |
|
[ZN]A:706 |
1 |
1 |
98 |
f |
[ZN]A:705 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.031 |
22 |
30 |
|
I |
1 |
1 |
2839 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
2 |
1 |
2832 |
6.5 |
-0.6 |
0.253 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
H |
1 |
1 |
2798 |
◊ |
C |
x,y-1,z-1 |
1_544 |
1 |
1 |
2795 |
3.2 |
-0.3 |
0.188 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
I |
1 |
1 |
2839 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
8245 |
1.3 |
-0.1 |
0.397 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[ZN]A:701 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
1 |
1 |
2839 |
0.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
26 |
34 |
|
[ZN]B:704 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
2795 |
0.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
|