## |
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 |
65 |
21 |
11833 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
63 |
20 |
11592 |
620.4 |
-0.9 |
0.593 |
8 |
8 |
0 |
0.000 |
2 |
|
C |
64 |
20 |
11702 |
◊ |
A |
x,-y,-z |
3_555 |
64 |
20 |
11640 |
615.0 |
-0.8 |
0.608 |
8 |
8 |
0 |
0.000 |
Average: |
617.7 |
-0.8 |
0.601 |
8 |
8 |
0 |
0.000 |
2 |
3 |
|
B |
49 |
13 |
11592 |
◊ |
A |
x,y,z |
1_555 |
50 |
12 |
11640 |
446.4 |
-4.3 |
0.211 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
D |
47 |
14 |
11833 |
◊ |
D |
x,-y,-z |
3_555 |
47 |
14 |
11833 |
438.9 |
-5.7 |
0.110 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
44 |
15 |
11702 |
◊ |
B |
x,y,z |
1_555 |
42 |
15 |
11592 |
378.1 |
-1.0 |
0.431 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
35 |
13 |
11592 |
◊ |
C |
x-1/2,-y-1/2,-z |
7_445 |
47 |
16 |
11702 |
338.5 |
0.9 |
0.714 |
3 |
1 |
0 |
0.000 |
7 |
|
D |
40 |
14 |
11833 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
13 |
11640 |
306.8 |
-0.5 |
0.576 |
2 |
0 |
0 |
0.000 |
Average: |
322.6 |
0.2 |
0.645 |
3 |
1 |
0 |
0.000 |
6 |
8 |
|
[CBI]C:301 |
23 |
1 |
467 |
f |
C |
x,y,z |
1_555 |
48 |
19 |
11702 |
328.5 |
0.5 |
0.337 |
3 |
0 |
0 |
0.100 |
7 |
9 |
|
[CBI]A:302 |
23 |
1 |
467 |
f |
A |
x,y,z |
1_555 |
44 |
16 |
11640 |
328.0 |
-0.0 |
0.275 |
2 |
0 |
0 |
0.295 |
10 |
|
[CBI]B:302 |
23 |
1 |
466 |
f |
B |
x,y,z |
1_555 |
43 |
16 |
11592 |
321.0 |
-1.0 |
0.187 |
4 |
0 |
0 |
0.295 |
Average: |
324.5 |
-0.5 |
0.231 |
3 |
0 |
0 |
0.295 |
8 |
11 |
|
[CBI]D:301 |
23 |
1 |
462 |
f |
D |
x,y,z |
1_555 |
46 |
17 |
11833 |
311.3 |
-0.1 |
0.292 |
1 |
0 |
0 |
0.009 |
9 |
12 |
|
D |
28 |
8 |
11833 |
◊ |
A |
-x,y,-z-1/2 |
4_554 |
35 |
10 |
11640 |
252.4 |
-2.0 |
0.348 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
C |
23 |
7 |
11702 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
11640 |
201.5 |
-2.2 |
0.260 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
D |
20 |
7 |
11833 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
11640 |
201.3 |
-0.2 |
0.543 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[BGC]B:301 |
12 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
11592 |
177.6 |
2.1 |
0.267 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[BGC]A:301 |
12 |
1 |
302 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
11640 |
177.2 |
2.2 |
0.260 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
A |
20 |
6 |
11640 |
◊ |
A |
-x,y,-z-1/2 |
4_554 |
20 |
6 |
11640 |
163.6 |
1.9 |
0.854 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
B |
22 |
9 |
11592 |
◊ |
B |
-x,y,-z-1/2 |
4_554 |
22 |
9 |
11592 |
138.6 |
-0.8 |
0.484 |
4 |
0 |
0 |
0.000 |
16 |
19 |
|
C |
9 |
5 |
11702 |
◊ |
B |
x-1/2,-y-1/2,-z |
7_445 |
12 |
6 |
11592 |
114.7 |
-0.2 |
0.536 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[SO4]D:302 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
11833 |
48.7 |
-4.2 |
0.986 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[SO4]D:302 |
4 |
1 |
186 |
f |
D |
-x-1,y,-z-1/2 |
4_454 |
5 |
3 |
11833 |
47.3 |
-5.6 |
0.843 |
1 |
0 |
0 |
0.091 |
19 |
22 |
|
D |
6 |
4 |
11833 |
◊ |
C |
x,-y,-z |
3_555 |
5 |
2 |
11702 |
40.2 |
0.1 |
0.619 |
1 |
0 |
0 |
0.000 |
20 |
23 |
|
[CBI]A:302 |
5 |
1 |
467 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11592 |
38.9 |
0.0 |
0.334 |
0 |
0 |
0 |
0.000 |
24 |
|
[CBI]B:302 |
5 |
1 |
466 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11640 |
38.5 |
0.0 |
0.342 |
0 |
0 |
0 |
0.000 |
Average: |
38.7 |
0.0 |
0.338 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[CBI]D:301 |
3 |
1 |
462 |
◊ |
D |
x,-y,-z |
3_555 |
5 |
3 |
11833 |
33.5 |
0.4 |
0.557 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
B |
2 |
1 |
11592 |
◊ |
A |
-x,y,-z-1/2 |
4_554 |
7 |
4 |
11640 |
23.3 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
D |
3 |
2 |
11833 |
◊ |
C |
x-1,-y,-z |
3_455 |
3 |
2 |
11702 |
20.8 |
-0.6 |
0.255 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[CBI]B:302 |
3 |
1 |
466 |
f |
[BGC]B:301 |
x,y,z |
1_555 |
1 |
1 |
303 |
5.0 |
0.1 |
0.238 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[CBI]B:302 |
2 |
1 |
466 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11702 |
2.9 |
-0.1 |
0.315 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[CBI]A:302 |
1 |
1 |
467 |
f |
[BGC]A:301 |
x,y,z |
1_555 |
1 |
1 |
302 |
1.6 |
0.0 |
0.225 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
D |
1 |
1 |
11833 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11592 |
0.6 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
|