| ## |
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 |
148 |
35 |
11857 |
◊ |
A |
-x+y+1,y,-z |
11_655 |
148 |
35 |
11857 |
1397.8 |
-18.7 |
0.064 |
14 |
10 |
0 |
0.322 |
2 |
|
C |
147 |
35 |
11937 |
◊ |
B |
x,y,z |
1_555 |
145 |
35 |
11904 |
1397.2 |
-18.5 |
0.077 |
12 |
10 |
0 |
0.322 |
| Average: |
1397.5 |
-18.6 |
0.070 |
13 |
10 |
0 |
0.322 |
| 2 |
3 |
|
[NAI]C:400 |
43 |
1 |
837 |
f |
C |
x,y,z |
1_555 |
79 |
32 |
11937 |
577.3 |
-6.8 |
0.561 |
10 |
0 |
0 |
0.276 |
4 |
|
[NAI]A:400 |
43 |
1 |
843 |
f |
A |
x,y,z |
1_555 |
78 |
32 |
11857 |
572.4 |
-6.0 |
0.598 |
10 |
0 |
0 |
0.276 |
5 |
|
[NAI]B:400 |
43 |
1 |
836 |
f |
B |
x,y,z |
1_555 |
79 |
33 |
11904 |
570.7 |
-6.0 |
0.604 |
11 |
0 |
0 |
0.276 |
| Average: |
573.5 |
-6.2 |
0.588 |
10 |
0 |
0 |
0.276 |
| 3 |
6 |
|
B |
63 |
16 |
11904 |
◊ |
A |
x,y,z |
1_555 |
61 |
15 |
11857 |
546.4 |
-6.3 |
0.259 |
1 |
1 |
0 |
0.146 |
7 |
|
C |
61 |
16 |
11937 |
◊ |
B |
-x+y+1,y,-z |
11_655 |
63 |
16 |
11904 |
542.3 |
-6.2 |
0.279 |
2 |
2 |
0 |
0.146 |
8 |
|
C |
61 |
15 |
11937 |
◊ |
A |
-x+y+1,y,-z |
11_655 |
61 |
16 |
11857 |
541.7 |
-6.2 |
0.249 |
1 |
2 |
0 |
0.146 |
| Average: |
543.5 |
-6.2 |
0.262 |
1 |
2 |
0 |
0.146 |
| 4 |
9 |
|
C |
56 |
16 |
11937 |
◊ |
B |
y,x,-z-1/3 |
7_554 |
56 |
17 |
11904 |
504.3 |
-2.1 |
0.618 |
4 |
0 |
0 |
0.004 |
| 5 |
10 |
|
A |
57 |
18 |
11857 |
◊ |
A |
x,x-y,-z+1/3 |
12_555 |
58 |
19 |
11857 |
477.3 |
-4.2 |
0.419 |
4 |
0 |
0 |
0.000 |
| 6 |
11 |
|
B |
21 |
6 |
11904 |
◊ |
B |
-x+1,-y+1,z |
4_665 |
22 |
7 |
11904 |
192.8 |
-2.0 |
0.409 |
0 |
4 |
0 |
0.000 |
| 7 |
12 |
|
[15L]A:401 |
12 |
1 |
317 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
11857 |
167.1 |
0.1 |
0.391 |
9 |
0 |
0 |
0.095 |
13 |
|
[15L]C:401 |
12 |
1 |
317 |
f |
C |
x,y,z |
1_555 |
23 |
13 |
11937 |
164.8 |
0.3 |
0.393 |
9 |
0 |
0 |
0.095 |
14 |
|
[15L]B:401 |
12 |
1 |
316 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
11904 |
163.3 |
0.6 |
0.464 |
8 |
0 |
0 |
0.095 |
| Average: |
165.1 |
0.3 |
0.416 |
9 |
0 |
0 |
0.095 |
| 8 |
15 |
|
B |
12 |
5 |
11904 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
10 |
4 |
11857 |
104.7 |
-1.2 |
0.388 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
B |
10 |
3 |
11904 |
◊ |
B |
y,x,-z-1/3 |
7_554 |
10 |
3 |
11904 |
89.0 |
-1.4 |
0.347 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[15L]B:401 |
11 |
1 |
316 |
f |
[NAI]B:400 |
x,y,z |
1_555 |
13 |
1 |
836 |
85.8 |
0.5 |
0.539 |
0 |
0 |
0 |
0.000 |
18 |
|
[15L]C:401 |
11 |
1 |
317 |
f |
[NAI]C:400 |
x,y,z |
1_555 |
13 |
1 |
837 |
84.4 |
0.3 |
0.494 |
0 |
0 |
0 |
0.000 |
19 |
|
[15L]A:401 |
11 |
1 |
317 |
f |
[NAI]A:400 |
x,y,z |
1_555 |
13 |
1 |
843 |
82.0 |
0.3 |
0.508 |
0 |
0 |
0 |
0.000 |
| Average: |
84.1 |
0.4 |
0.514 |
0 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[PO4]A:269 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
11857 |
85.1 |
-3.6 |
0.934 |
2 |
0 |
0 |
0.110 |
| 12 |
21 |
|
C |
7 |
3 |
11937 |
◊ |
A |
-y+1,-x+1,-z-1/3 |
10_664 |
11 |
5 |
11857 |
84.4 |
0.8 |
0.770 |
1 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[PO4]A:268 |
4 |
1 |
188 |
f |
C |
-y+1,-x+1,-z-1/3 |
10_664 |
9 |
3 |
11937 |
78.5 |
-4.5 |
0.747 |
1 |
0 |
0 |
0.062 |
| 14 |
23 |
|
[PO4]C:268 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11937 |
78.4 |
-5.1 |
0.694 |
2 |
0 |
0 |
0.075 |
| 15 |
24 |
|
[PO4]A:270 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11857 |
76.3 |
-4.4 |
0.759 |
1 |
0 |
0 |
0.119 |
| 16 |
25 |
|
[PO4]B:268 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11904 |
73.8 |
-3.6 |
0.908 |
2 |
0 |
0 |
0.056 |
| 17 |
26 |
|
[PO4]C:269 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
11937 |
72.0 |
-3.3 |
0.921 |
2 |
0 |
0 |
0.052 |
| 18 |
27 |
|
[PO4]A:268 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
11857 |
68.0 |
-3.0 |
0.933 |
2 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[PO4]B:269 |
4 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
11937 |
67.8 |
-4.2 |
0.660 |
1 |
0 |
0 |
0.058 |
| 20 |
29 |
|
[PO4]A:271 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
11857 |
66.9 |
-3.3 |
0.881 |
2 |
0 |
0 |
0.102 |
| 21 |
30 |
|
[PO4]B:269 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11904 |
47.8 |
-2.0 |
0.880 |
1 |
0 |
0 |
0.031 |
| 22 |
31 |
|
[PO4]A:270 |
4 |
1 |
189 |
◊ |
C |
-x+y+1,y,-z |
11_655 |
4 |
2 |
11937 |
34.7 |
-2.2 |
0.361 |
1 |
0 |
0 |
0.018 |
| 23 |
32 |
|
[PO4]B:269 |
4 |
1 |
188 |
◊ |
B |
y,x,-z-1/3 |
7_554 |
5 |
1 |
11904 |
32.1 |
-2.0 |
0.615 |
0 |
0 |
0 |
0.002 |
| 24 |
33 |
|
[NAI]B:400 |
2 |
1 |
836 |
◊ |
C |
y,x,-z-1/3 |
7_554 |
2 |
1 |
11937 |
13.9 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[PO4]A:271 |
2 |
1 |
189 |
◊ |
A |
-x+y+1,y,-z |
11_655 |
1 |
1 |
11857 |
5.4 |
-0.2 |
0.869 |
0 |
0 |
0 |
0.006 |
| 26 |
35 |
|
C |
1 |
1 |
11937 |
◊ |
C |
y,x,-z-1/3 |
7_554 |
1 |
1 |
11937 |
3.2 |
-0.1 |
0.407 |
0 |
0 |
0 |
0.000 |
|