## |
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 |
|
D |
172 |
52 |
13048 |
◊ |
C |
x,y,z |
1_555 |
171 |
51 |
12573 |
1708.6 |
-11.4 |
0.203 |
30 |
17 |
0 |
0.311 |
2 |
|
B |
173 |
52 |
12753 |
◊ |
A |
x,y,z |
1_555 |
172 |
52 |
13549 |
1695.3 |
-11.1 |
0.184 |
26 |
15 |
0 |
0.311 |
Average: |
1702.0 |
-11.3 |
0.193 |
28 |
16 |
0 |
0.311 |
2 |
3 |
|
A |
86 |
25 |
13549 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
64 |
17 |
13549 |
739.2 |
-4.1 |
0.340 |
8 |
1 |
0 |
0.000 |
3 |
4 |
|
B |
57 |
19 |
12753 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
60 |
17 |
12753 |
535.9 |
-0.7 |
0.563 |
4 |
4 |
0 |
0.000 |
4 |
5 |
|
C |
61 |
21 |
12573 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
44 |
13 |
13048 |
501.5 |
-4.2 |
0.268 |
5 |
2 |
0 |
0.000 |
5 |
6 |
|
C |
56 |
13 |
12573 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
53 |
12 |
12753 |
482.3 |
-1.1 |
0.533 |
6 |
12 |
0 |
0.000 |
6 |
7 |
|
C |
49 |
17 |
12573 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
44 |
12 |
13048 |
412.5 |
-0.7 |
0.553 |
2 |
4 |
0 |
0.000 |
7 |
8 |
|
D |
35 |
13 |
13048 |
◊ |
B |
x,y,z |
1_555 |
37 |
9 |
12753 |
325.2 |
3.9 |
0.899 |
5 |
3 |
0 |
0.000 |
8 |
9 |
|
B |
31 |
12 |
12753 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
33 |
9 |
12573 |
309.8 |
2.7 |
0.834 |
5 |
2 |
0 |
0.000 |
9 |
10 |
|
A |
35 |
10 |
13549 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
35 |
13 |
13048 |
299.9 |
-0.1 |
0.585 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
C |
28 |
11 |
12573 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
7 |
13549 |
259.8 |
-0.1 |
0.541 |
3 |
0 |
0 |
0.000 |
11 |
12 |
|
D |
14 |
4 |
13048 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
13549 |
88.0 |
1.8 |
0.833 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]B:347 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
12753 |
86.2 |
2.9 |
0.485 |
2 |
0 |
0 |
0.000 |
13 |
14 |
|
[CL]A:344 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13549 |
78.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.272 |
15 |
|
[CL]D:344 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
13048 |
77.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.272 |
16 |
|
[CL]B:344 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
12753 |
77.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.272 |
17 |
|
[CL]C:344 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
12573 |
77.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.272 |
Average: |
77.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.272 |
14 |
18 |
|
C |
8 |
4 |
12573 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
7 |
13048 |
77.3 |
1.7 |
0.862 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[CL]D:346 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
13048 |
72.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.234 |
20 |
|
[CL]C:346 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
12573 |
71.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.234 |
21 |
|
[CL]B:346 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
12753 |
70.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.234 |
Average: |
71.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.234 |
16 |
22 |
|
B |
10 |
4 |
12753 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
1 |
13048 |
70.7 |
0.5 |
0.650 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[CL]B:345 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
12753 |
65.6 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.251 |
24 |
|
[CL]A:345 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
13549 |
65.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.251 |
25 |
|
[CL]C:345 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
12573 |
63.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.251 |
26 |
|
[CL]D:345 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
13048 |
63.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.251 |
Average: |
64.4 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.251 |
18 |
27 |
|
[EDO]B:347 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
13549 |
58.8 |
1.3 |
0.234 |
2 |
0 |
0 |
0.000 |
19 |
28 |
|
B |
7 |
3 |
12753 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
6 |
2 |
13048 |
50.3 |
0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[CL]D:345 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
12573 |
24.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.061 |
30 |
|
[CL]C:345 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
13048 |
21.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.061 |
31 |
|
[CL]A:345 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12753 |
20.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.061 |
32 |
|
[CL]B:345 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
13549 |
20.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
21.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.061 |
21 |
33 |
|
C |
3 |
1 |
12573 |
x |
C |
x-1,y,z |
1_455 |
2 |
1 |
12573 |
12.7 |
0.2 |
0.488 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
C |
2 |
1 |
12573 |
◊ |
[CL]D:346 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
125 |
8.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
B |
2 |
1 |
12753 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
13549 |
7.8 |
-0.4 |
0.283 |
0 |
0 |
0 |
0.000 |
24 |
36 |
|
D |
2 |
1 |
13048 |
x |
D |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
13048 |
7.0 |
-0.3 |
0.309 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
A |
1 |
1 |
13549 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
13549 |
5.3 |
0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
|