| ## |
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 |
102 |
27 |
13660 |
◊ |
D |
x-1/2,y-1/2,z |
5_445 |
104 |
26 |
13835 |
1040.7 |
-9.7 |
0.151 |
20 |
1 |
0 |
0.343 |
2 |
|
A |
106 |
26 |
13734 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
107 |
28 |
13527 |
1004.5 |
-10.4 |
0.128 |
20 |
1 |
0 |
0.343 |
| Average: |
1022.6 |
-10.0 |
0.139 |
20 |
1 |
0 |
0.343 |
| 2 |
3 |
|
D |
78 |
19 |
13835 |
◊ |
B |
x,y,z |
1_555 |
85 |
19 |
13527 |
757.9 |
-6.9 |
0.207 |
6 |
6 |
0 |
0.129 |
4 |
|
C |
82 |
20 |
13660 |
◊ |
A |
x,y,z |
1_555 |
72 |
16 |
13734 |
716.4 |
-9.8 |
0.079 |
4 |
1 |
0 |
0.129 |
| Average: |
737.2 |
-8.3 |
0.143 |
5 |
4 |
0 |
0.129 |
| 3 |
5 |
|
[6YX]A:303 |
55 |
1 |
1785 |
◊ |
B |
x,y,z |
1_555 |
72 |
24 |
13527 |
602.0 |
-0.4 |
0.850 |
37 |
0 |
0 |
0.469 |
| 4 |
6 |
|
[6YX]A:303 |
48 |
1 |
1785 |
◊ |
A |
x,y,z |
1_555 |
68 |
22 |
13734 |
567.3 |
3.0 |
0.902 |
33 |
0 |
0 |
0.368 |
| 5 |
7 |
|
[6YY]C:301 |
37 |
1 |
874 |
f |
C |
x,y,z |
1_555 |
54 |
16 |
13660 |
438.6 |
-6.6 |
0.798 |
25 |
0 |
0 |
0.189 |
| 6 |
8 |
|
A |
48 |
12 |
13734 |
◊ |
A |
x,-y,-z |
4_555 |
48 |
12 |
13734 |
423.5 |
-1.3 |
0.517 |
8 |
16 |
0 |
0.000 |
| 7 |
9 |
|
C |
40 |
11 |
13660 |
◊ |
D |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
46 |
13 |
13835 |
388.1 |
-0.4 |
0.614 |
9 |
2 |
0 |
0.000 |
| 8 |
10 |
|
[6YW]D:301 |
24 |
1 |
541 |
f |
D |
x,y,z |
1_555 |
44 |
18 |
13835 |
351.2 |
-3.6 |
0.716 |
18 |
0 |
0 |
0.124 |
| 9 |
11 |
|
C |
35 |
10 |
13660 |
◊ |
C |
-x,y,-z-1/2 |
3_554 |
35 |
10 |
13660 |
344.4 |
6.8 |
0.973 |
2 |
6 |
0 |
0.000 |
| 10 |
12 |
|
D |
30 |
9 |
13835 |
◊ |
D |
-x,y,-z-1/2 |
3_554 |
30 |
9 |
13835 |
319.2 |
-1.3 |
0.481 |
4 |
2 |
0 |
0.000 |
| 11 |
13 |
|
B |
27 |
10 |
13527 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
13734 |
282.2 |
-1.2 |
0.441 |
0 |
0 |
0 |
0.018 |
| 12 |
14 |
|
D |
29 |
7 |
13835 |
◊ |
C |
x,y,z |
1_555 |
26 |
7 |
13660 |
255.4 |
-2.4 |
0.332 |
3 |
3 |
0 |
0.002 |
| 13 |
15 |
|
[PO4]D:302 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
13835 |
118.3 |
-7.7 |
0.774 |
6 |
0 |
0 |
0.110 |
| 14 |
16 |
|
[PO4]C:303 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
13660 |
116.6 |
-7.5 |
0.791 |
7 |
0 |
0 |
0.114 |
| 15 |
17 |
|
[PO4]B:301 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
13527 |
116.2 |
-7.5 |
0.786 |
7 |
0 |
0 |
0.298 |
| 16 |
18 |
|
[PO4]A:301 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
13734 |
113.7 |
-7.5 |
0.792 |
7 |
0 |
0 |
0.337 |
| 17 |
19 |
|
[PO4]C:304 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
13660 |
106.4 |
-5.0 |
0.835 |
6 |
0 |
0 |
0.082 |
| 18 |
20 |
|
A |
11 |
4 |
13734 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
8 |
4 |
13527 |
103.6 |
1.1 |
0.766 |
2 |
2 |
0 |
0.000 |
| 19 |
21 |
|
[PO4]A:302 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
13734 |
101.0 |
-4.9 |
0.822 |
7 |
0 |
0 |
0.253 |
| 20 |
22 |
|
[PO4]B:302 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13527 |
100.1 |
-5.6 |
0.800 |
5 |
0 |
0 |
0.218 |
| 21 |
23 |
|
[PO4]D:303 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
13835 |
99.7 |
-5.2 |
0.879 |
5 |
0 |
0 |
0.079 |
| 22 |
24 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
13660 |
62.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.089 |
| 23 |
25 |
|
C |
4 |
3 |
13660 |
◊ |
C |
-x-1,y,-z-1/2 |
3_454 |
4 |
3 |
13660 |
18.7 |
0.3 |
0.725 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[6YW]D:301 |
2 |
1 |
541 |
f |
[PO4]D:303 |
x,y,z |
1_555 |
1 |
1 |
187 |
12.8 |
-0.5 |
0.703 |
0 |
0 |
0 |
0.006 |
| 25 |
27 |
|
[6YX]A:303 |
1 |
1 |
1785 |
◊ |
[PO4]B:302 |
x,y,z |
1_555 |
1 |
1 |
187 |
12.5 |
-0.5 |
0.719 |
0 |
0 |
0 |
0.015 |
| 26 |
28 |
|
[6YY]C:301 |
3 |
1 |
874 |
f |
[PO4]C:304 |
x,y,z |
1_555 |
1 |
1 |
189 |
12.0 |
-0.5 |
0.733 |
0 |
0 |
0 |
0.006 |
| 27 |
29 |
|
[6YX]A:303 |
1 |
1 |
1785 |
◊ |
[PO4]A:302 |
x,y,z |
1_555 |
1 |
1 |
188 |
12.0 |
-1.3 |
0.387 |
0 |
0 |
0 |
0.042 |
|