## |
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 |
|
A |
163 |
47 |
9523 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
162 |
47 |
9523 |
1594.5 |
-14.1 |
0.305 |
25 |
8 |
0 |
1.000 |
2 |
|
C |
159 |
47 |
9313 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
159 |
47 |
9313 |
1581.8 |
-12.5 |
0.445 |
25 |
8 |
0 |
1.000 |
3 |
|
D |
161 |
48 |
9602 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
162 |
49 |
9344 |
1574.3 |
-15.3 |
0.368 |
24 |
8 |
0 |
1.000 |
Average: |
1583.5 |
-14.0 |
0.373 |
25 |
8 |
0 |
1.000 |
2 |
4 |
|
C |
120 |
30 |
9313 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
124 |
30 |
9344 |
1112.6 |
-9.4 |
0.491 |
15 |
8 |
0 |
1.000 |
5 |
|
D |
118 |
29 |
9602 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
114 |
28 |
9523 |
1094.7 |
-9.2 |
0.419 |
15 |
8 |
0 |
1.000 |
Average: |
1103.7 |
-9.3 |
0.455 |
15 |
8 |
0 |
1.000 |
3 |
6 |
|
D |
74 |
23 |
9602 |
◊ |
A |
x,y,z |
1_555 |
68 |
19 |
9523 |
695.4 |
-6.3 |
0.389 |
8 |
7 |
0 |
0.367 |
7 |
|
D |
70 |
19 |
9602 |
◊ |
C |
x,y,z |
1_555 |
73 |
22 |
9313 |
679.7 |
-5.2 |
0.482 |
10 |
11 |
0 |
0.367 |
8 |
|
C |
64 |
17 |
9313 |
◊ |
B |
x,y,z |
1_555 |
68 |
21 |
9344 |
611.1 |
-7.2 |
0.335 |
6 |
7 |
0 |
0.367 |
9 |
|
B |
52 |
16 |
9344 |
◊ |
A |
x,y,z |
1_555 |
53 |
15 |
9523 |
522.4 |
-8.2 |
0.162 |
4 |
6 |
0 |
0.367 |
Average: |
627.1 |
-6.7 |
0.342 |
7 |
8 |
0 |
0.367 |
4 |
10 |
|
D |
37 |
14 |
9602 |
◊ |
B |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
33 |
9 |
9344 |
328.4 |
1.8 |
0.855 |
3 |
3 |
0 |
0.000 |
5 |
11 |
|
D |
18 |
6 |
9602 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
23 |
7 |
9344 |
157.5 |
0.3 |
0.707 |
3 |
2 |
0 |
0.000 |
6 |
12 |
|
D |
10 |
4 |
9602 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
17 |
6 |
9523 |
125.3 |
-0.6 |
0.587 |
1 |
1 |
0 |
0.000 |
7 |
13 |
|
[EDO]B:200 |
4 |
1 |
180 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
9344 |
113.7 |
3.2 |
0.469 |
4 |
0 |
0 |
0.000 |
8 |
14 |
|
[EDO]C:200 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
9313 |
112.8 |
3.2 |
0.465 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
[EDO]D:200 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
20 |
8 |
9602 |
112.3 |
3.2 |
0.463 |
2 |
0 |
0 |
0.000 |
10 |
16 |
|
[EDO]A:200 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
9523 |
111.6 |
3.4 |
0.453 |
3 |
0 |
0 |
0.000 |
11 |
17 |
|
C |
16 |
8 |
9313 |
◊ |
B |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
13 |
4 |
9344 |
110.4 |
2.0 |
0.775 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
C |
12 |
4 |
9313 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
12 |
6 |
9344 |
101.6 |
0.9 |
0.743 |
1 |
1 |
0 |
0.000 |
13 |
19 |
|
D |
12 |
5 |
9602 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
8 |
4 |
9313 |
97.1 |
-0.6 |
0.570 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]A:201 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
9344 |
73.7 |
2.0 |
0.314 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
D |
8 |
3 |
9602 |
◊ |
C |
x,-y-1,-z |
4_545 |
5 |
2 |
9313 |
60.2 |
-1.4 |
0.149 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]A:201 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
9523 |
54.7 |
1.7 |
0.864 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
A |
7 |
5 |
9523 |
◊ |
A |
x,-y,-z |
4_555 |
7 |
5 |
9523 |
45.3 |
0.8 |
0.784 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
C |
5 |
5 |
9313 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
8 |
4 |
9523 |
41.8 |
1.2 |
0.846 |
1 |
1 |
0 |
0.000 |
19 |
25 |
|
C |
6 |
2 |
9313 |
◊ |
[EDO]A:201 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
1 |
182 |
41.0 |
1.7 |
0.930 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[EDO]C:200 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
9344 |
30.0 |
0.4 |
0.385 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[EDO]D:200 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
9313 |
29.9 |
0.4 |
0.270 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[EDO]B:200 |
4 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
9523 |
28.9 |
0.1 |
0.364 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[EDO]A:200 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
9602 |
27.9 |
0.2 |
0.395 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
C |
1 |
1 |
9313 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9523 |
15.4 |
-0.5 |
0.185 |
0 |
0 |
0 |
0.008 |
31 |
|
D |
1 |
1 |
9602 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9344 |
14.6 |
-0.5 |
0.201 |
0 |
0 |
0 |
0.008 |
Average: |
15.0 |
-0.5 |
0.193 |
0 |
0 |
0 |
0.008 |
25 |
32 |
|
A |
2 |
1 |
9523 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
8_446 |
2 |
2 |
9344 |
13.9 |
0.4 |
0.807 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
D |
1 |
1 |
9602 |
x |
D |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
2 |
1 |
9602 |
5.7 |
0.2 |
0.785 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
D |
2 |
1 |
9602 |
x |
D |
x-1/2,-y-1/2,-z |
8_445 |
1 |
1 |
9602 |
4.0 |
0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
C |
2 |
2 |
9313 |
◊ |
C |
x,-y-1,-z |
4_545 |
2 |
2 |
9313 |
2.2 |
-0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
|