| ## |
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 |
43 |
16727 |
◊ |
A |
-x,y,-z |
2_555 |
147 |
43 |
16727 |
1358.7 |
2.1 |
0.826 |
12 |
16 |
0 |
0.000 |
2 |
|
D |
133 |
43 |
16539 |
◊ |
C |
-x,y,-z+1 |
2_556 |
135 |
43 |
16686 |
1218.9 |
3.5 |
0.841 |
18 |
17 |
0 |
0.000 |
| Average: |
1288.8 |
2.8 |
0.834 |
15 |
17 |
0 |
0.000 |
| 2 |
3 |
|
D |
61 |
19 |
16539 |
◊ |
B |
x,y,z |
1_555 |
62 |
21 |
16513 |
552.1 |
1.8 |
0.766 |
5 |
9 |
0 |
0.000 |
| 3 |
4 |
|
B |
52 |
21 |
16513 |
◊ |
A |
x,y,z |
1_555 |
53 |
20 |
16727 |
486.1 |
-6.2 |
0.180 |
0 |
2 |
0 |
0.000 |
| 4 |
5 |
|
D |
47 |
14 |
16539 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
47 |
14 |
16513 |
483.8 |
2.7 |
0.843 |
11 |
6 |
0 |
0.000 |
6 |
|
C |
45 |
14 |
16686 |
◊ |
A |
x,y-1,z |
1_545 |
49 |
14 |
16727 |
475.9 |
1.7 |
0.778 |
13 |
6 |
0 |
0.000 |
| Average: |
479.9 |
2.2 |
0.810 |
12 |
6 |
0 |
0.000 |
| 5 |
7 |
|
[4H5]A:502 |
19 |
1 |
436 |
f |
A |
x,y,z |
1_555 |
48 |
20 |
16727 |
303.5 |
-2.0 |
0.346 |
2 |
0 |
0 |
0.100 |
8 |
|
[4H5]D:501 |
19 |
1 |
450 |
f |
D |
x,y,z |
1_555 |
48 |
19 |
16539 |
303.1 |
-1.6 |
0.353 |
2 |
0 |
0 |
0.100 |
9 |
|
[4H5]B:502 |
19 |
1 |
433 |
f |
B |
x,y,z |
1_555 |
46 |
19 |
16513 |
298.0 |
-2.1 |
0.346 |
2 |
0 |
0 |
0.100 |
| Average: |
301.5 |
-1.9 |
0.348 |
2 |
0 |
0 |
0.100 |
| 6 |
10 |
|
[4H5]C:502 |
19 |
1 |
434 |
f |
C |
x,y,z |
1_555 |
45 |
18 |
16686 |
293.6 |
-2.2 |
0.336 |
1 |
0 |
0 |
0.028 |
| 7 |
11 |
|
C |
33 |
10 |
16686 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
16727 |
252.3 |
1.4 |
0.719 |
3 |
0 |
0 |
0.000 |
| 8 |
12 |
|
C |
22 |
7 |
16686 |
f |
[PG4]A:501 |
x,y-1,z |
1_545 |
11 |
1 |
409 |
171.7 |
3.1 |
0.309 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[PG4]B:501 |
11 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
16513 |
171.4 |
4.2 |
0.358 |
2 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[PG4]A:501 |
13 |
1 |
409 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
16727 |
171.3 |
4.4 |
0.342 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
D |
20 |
7 |
16539 |
◊ |
[PG4]B:501 |
-x-1/2,y-1/2,-z |
4_445 |
12 |
1 |
398 |
163.5 |
4.2 |
0.321 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[SO4]B:504 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
16513 |
93.6 |
-11.3 |
0.927 |
5 |
0 |
0 |
0.053 |
| 13 |
17 |
|
[PG4]C:501 |
7 |
1 |
366 |
f |
C |
x,y,z |
1_555 |
15 |
3 |
16686 |
90.2 |
2.6 |
0.397 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[SO4]C:503 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
16686 |
87.9 |
-10.4 |
0.934 |
3 |
0 |
0 |
0.123 |
| 15 |
19 |
|
[SO4]B:505 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
16513 |
63.9 |
-7.2 |
0.968 |
1 |
0 |
0 |
0.030 |
| 16 |
20 |
|
[SO4]B:503 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
16513 |
38.7 |
-3.6 |
0.971 |
2 |
0 |
0 |
0.018 |
| 17 |
21 |
|
B |
5 |
1 |
16513 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
4 |
2 |
16539 |
38.0 |
0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[SO4]B:503 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
16539 |
33.3 |
-3.5 |
0.884 |
1 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[4H5]B:502 |
4 |
1 |
433 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
16539 |
22.4 |
0.3 |
0.464 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
B |
3 |
2 |
16513 |
◊ |
A |
-x,y,-z |
2_555 |
3 |
1 |
16727 |
16.7 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
C |
2 |
1 |
16686 |
◊ |
C |
-x,y,-z+1 |
2_556 |
2 |
1 |
16686 |
15.3 |
0.3 |
0.768 |
0 |
0 |
0 |
0.000 |
|