| ## |
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 |
107 |
28 |
8602 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
104 |
28 |
8559 |
1014.8 |
-15.3 |
0.128 |
13 |
3 |
0 |
0.236 |
2 |
|
A |
97 |
27 |
8477 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
98 |
27 |
8477 |
956.1 |
-15.4 |
0.113 |
14 |
0 |
0 |
0.236 |
| Average: |
985.5 |
-15.4 |
0.121 |
14 |
2 |
0 |
0.236 |
| 2 |
3 |
|
B |
86 |
22 |
8559 |
◊ |
A |
x,y,z |
1_555 |
85 |
24 |
8477 |
808.0 |
-6.2 |
0.486 |
6 |
0 |
0 |
0.197 |
4 |
|
C |
86 |
24 |
8602 |
◊ |
A |
x,y,z |
1_555 |
84 |
22 |
8477 |
797.7 |
-6.7 |
0.460 |
5 |
0 |
0 |
0.197 |
5 |
|
C |
83 |
22 |
8602 |
◊ |
B |
x,y,z |
1_555 |
84 |
24 |
8559 |
796.0 |
-7.3 |
0.393 |
5 |
0 |
0 |
0.197 |
| Average: |
800.6 |
-6.7 |
0.446 |
5 |
0 |
0 |
0.197 |
| 3 |
6 |
|
[ADP]B:2160 |
27 |
1 |
530 |
f |
B |
x,y,z |
1_555 |
39 |
14 |
8559 |
347.2 |
-3.8 |
0.635 |
10 |
0 |
0 |
0.183 |
7 |
|
[ADP]A:1160 |
27 |
1 |
524 |
f |
A |
x,y,z |
1_555 |
41 |
16 |
8477 |
346.9 |
-4.4 |
0.640 |
9 |
0 |
0 |
0.183 |
8 |
|
[ADP]C:3160 |
27 |
1 |
523 |
f |
C |
x,y,z |
1_555 |
42 |
14 |
8602 |
337.9 |
-3.2 |
0.689 |
10 |
0 |
0 |
0.183 |
| Average: |
344.0 |
-3.8 |
0.654 |
10 |
0 |
0 |
0.183 |
| 4 |
9 |
|
B |
24 |
8 |
8559 |
x |
B |
-y+1/2,x+1/2,z+1/4 |
3_555 |
22 |
6 |
8559 |
199.6 |
-3.6 |
0.266 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
15 |
6 |
8477 |
x |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
24 |
7 |
8602 |
190.6 |
-2.7 |
0.324 |
1 |
0 |
0 |
0.000 |
| Average: |
195.1 |
-3.1 |
0.295 |
1 |
0 |
0 |
0.000 |
| 5 |
11 |
|
C |
16 |
5 |
8602 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
15 |
5 |
8602 |
133.5 |
-3.5 |
0.166 |
0 |
0 |
0 |
0.032 |
12 |
|
B |
13 |
4 |
8559 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
13 |
4 |
8477 |
129.3 |
-3.9 |
0.097 |
0 |
0 |
0 |
0.032 |
| Average: |
131.4 |
-3.7 |
0.132 |
0 |
0 |
0 |
0.032 |
| 6 |
13 |
|
[PO4]C:3161 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
21 |
11 |
8602 |
113.1 |
-9.0 |
0.448 |
4 |
0 |
0 |
0.108 |
| 7 |
14 |
|
[PO4]B:2161 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
8559 |
105.4 |
-7.9 |
0.575 |
2 |
0 |
0 |
0.088 |
| 8 |
15 |
|
[PO4]A:1161 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
8477 |
103.8 |
-8.6 |
0.441 |
4 |
0 |
0 |
0.226 |
| 9 |
16 |
|
[TRS]B:1003 |
5 |
1 |
256 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
8559 |
66.7 |
2.5 |
0.927 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[TRS]B:1003 |
4 |
1 |
256 |
f |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
7 |
4 |
8602 |
64.5 |
1.8 |
0.900 |
1 |
0 |
0 |
0.000 |
| 11 |
18 |
|
A |
3 |
3 |
8477 |
◊ |
A |
y-1,x+1,-z |
7_465 |
3 |
3 |
8477 |
42.9 |
-3.4 |
0.009 |
1 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[CA]B:1002 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
8559 |
36.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.124 |
20 |
|
[CA]C:1001 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
8602 |
34.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.124 |
| Average: |
35.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.124 |
| 13 |
21 |
|
[CA]A:1162 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
8477 |
33.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.130 |
22 |
|
[CA]B:2162 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8559 |
31.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.130 |
23 |
|
[CA]C:3162 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8602 |
29.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.130 |
| Average: |
31.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.130 |
| 14 |
24 |
|
[ADP]C:3160 |
3 |
1 |
523 |
f |
[CA]C:3162 |
x,y,z |
1_555 |
1 |
1 |
85 |
33.5 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.146 |
25 |
|
[ADP]B:2160 |
3 |
1 |
530 |
f |
[CA]B:2162 |
x,y,z |
1_555 |
1 |
1 |
85 |
29.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.146 |
26 |
|
[ADP]A:1160 |
4 |
1 |
524 |
f |
[CA]A:1162 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.146 |
| Average: |
30.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.146 |
| 15 |
27 |
|
[ADP]B:2160 |
6 |
1 |
530 |
f |
[PO4]B:2161 |
x,y,z |
1_555 |
3 |
1 |
186 |
26.9 |
-1.8 |
0.753 |
0 |
0 |
0 |
0.018 |
| 16 |
28 |
|
[ADP]A:1160 |
5 |
1 |
524 |
f |
[PO4]A:1161 |
x,y,z |
1_555 |
3 |
1 |
186 |
24.8 |
-1.7 |
0.754 |
0 |
0 |
0 |
0.037 |
| 17 |
29 |
|
[ADP]C:3160 |
5 |
1 |
523 |
f |
[PO4]C:3161 |
x,y,z |
1_555 |
3 |
1 |
186 |
22.1 |
-1.5 |
0.776 |
0 |
0 |
0 |
0.015 |
| 18 |
30 |
|
[ADP]B:2160 |
2 |
1 |
530 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8602 |
18.1 |
0.7 |
0.751 |
0 |
0 |
0 |
0.000 |
31 |
|
[ADP]C:3160 |
2 |
1 |
523 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8477 |
17.8 |
0.8 |
0.778 |
0 |
0 |
0 |
0.000 |
32 |
|
[ADP]A:1160 |
1 |
1 |
524 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8559 |
10.5 |
0.5 |
0.751 |
0 |
0 |
0 |
0.000 |
| Average: |
15.5 |
0.7 |
0.760 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
[CA]A:1162 |
1 |
1 |
85 |
f |
[PO4]A:1161 |
x,y,z |
1_555 |
2 |
1 |
186 |
13.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.059 |
| 20 |
34 |
|
C |
2 |
2 |
8602 |
◊ |
C |
-y+1,-x+1,-z-1/2 |
8_664 |
2 |
2 |
8602 |
12.1 |
0.7 |
0.878 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[CA]B:2162 |
1 |
1 |
85 |
f |
[PO4]B:2161 |
x,y,z |
1_555 |
3 |
1 |
186 |
11.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.022 |
| 22 |
36 |
|
[CA]C:3162 |
1 |
1 |
85 |
f |
[PO4]C:3161 |
x,y,z |
1_555 |
2 |
1 |
186 |
6.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.014 |
| 23 |
37 |
|
B |
1 |
1 |
8559 |
◊ |
[ADP]B:2160 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
1 |
530 |
5.0 |
-0.1 |
0.334 |
0 |
0 |
0 |
0.000 |
38 |
|
[ADP]A:1160 |
2 |
1 |
524 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
1 |
1 |
8602 |
1.1 |
-0.0 |
0.489 |
0 |
0 |
0 |
0.000 |
| Average: |
3.0 |
-0.1 |
0.412 |
0 |
0 |
0 |
0.000 |
| 24 |
39 |
|
C |
1 |
1 |
8602 |
◊ |
A |
y-1,x+1,-z |
7_465 |
1 |
1 |
8477 |
0.4 |
0.0 |
0.688 |
0 |
0 |
0 |
0.000 |
|