| ## |
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 |
|
B |
182 |
54 |
17898 |
◊ |
A |
x,y,z |
1_555 |
197 |
66 |
11373 |
1771.0 |
-23.5 |
0.066 |
18 |
10 |
0 |
0.383 |
2 |
|
E |
180 |
53 |
17674 |
◊ |
D |
x,y,z |
1_555 |
199 |
66 |
11365 |
1766.6 |
-24.0 |
0.062 |
17 |
11 |
0 |
0.383 |
| Average: |
1768.8 |
-23.8 |
0.064 |
18 |
11 |
0 |
0.383 |
| 2 |
3 |
|
E |
89 |
27 |
17674 |
◊ |
B |
x,y,z |
1_555 |
92 |
30 |
17898 |
837.2 |
6.2 |
0.947 |
17 |
12 |
0 |
0.016 |
| 3 |
4 |
|
[COA]D:1301 |
44 |
1 |
982 |
f |
D |
x,y,z |
1_555 |
78 |
29 |
11365 |
572.6 |
0.5 |
0.508 |
8 |
0 |
0 |
0.046 |
5 |
|
[COA]A:1300 |
44 |
1 |
984 |
f |
A |
x,y,z |
1_555 |
76 |
29 |
11373 |
570.4 |
0.5 |
0.506 |
10 |
0 |
0 |
0.046 |
| Average: |
571.5 |
0.5 |
0.507 |
9 |
0 |
0 |
0.046 |
| 4 |
6 |
|
B |
54 |
11 |
17898 |
◊ |
A |
y,x,-z+1/4 |
7_555 |
59 |
16 |
11373 |
529.7 |
-7.0 |
0.177 |
5 |
4 |
0 |
0.103 |
7 |
|
E |
52 |
11 |
17674 |
◊ |
D |
y,x,-z+1/4 |
7_555 |
58 |
16 |
11365 |
523.6 |
-7.0 |
0.174 |
5 |
4 |
0 |
0.103 |
| Average: |
526.7 |
-7.0 |
0.175 |
5 |
4 |
0 |
0.103 |
| 5 |
8 |
|
E |
42 |
13 |
17674 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
46 |
15 |
17898 |
374.3 |
-1.3 |
0.575 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
E |
28 |
9 |
17674 |
◊ |
A |
y-1,x,-z+1/4 |
7_455 |
37 |
14 |
11373 |
299.6 |
-3.6 |
0.296 |
1 |
1 |
0 |
0.000 |
| 7 |
10 |
|
B |
35 |
12 |
17898 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
35 |
12 |
17898 |
298.9 |
-2.1 |
0.449 |
4 |
0 |
0 |
0.000 |
| 8 |
11 |
|
D |
33 |
12 |
11365 |
◊ |
B |
x,y-1,z |
1_545 |
26 |
7 |
17898 |
247.4 |
-1.3 |
0.556 |
3 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[COA]B:1903 |
17 |
1 |
702 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
17898 |
241.4 |
1.4 |
0.250 |
4 |
0 |
0 |
0.004 |
| 10 |
13 |
|
[COA]D:1301 |
20 |
1 |
982 |
◊ |
B |
x,y,z |
1_555 |
23 |
5 |
17898 |
196.2 |
-1.3 |
0.433 |
5 |
0 |
0 |
0.033 |
14 |
|
[COA]A:1300 |
21 |
1 |
984 |
◊ |
E |
x,y,z |
1_555 |
22 |
5 |
17674 |
194.0 |
-1.0 |
0.453 |
5 |
0 |
0 |
0.033 |
| Average: |
195.1 |
-1.2 |
0.443 |
5 |
0 |
0 |
0.033 |
| 11 |
15 |
|
B |
26 |
8 |
17898 |
◊ |
D |
x,y,z |
1_555 |
24 |
11 |
11365 |
194.1 |
0.7 |
0.662 |
3 |
2 |
0 |
0.008 |
16 |
|
E |
22 |
7 |
17674 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
11373 |
189.1 |
0.5 |
0.615 |
2 |
2 |
0 |
0.008 |
| Average: |
191.6 |
0.6 |
0.639 |
3 |
2 |
0 |
0.008 |
| 12 |
17 |
|
[COA]E:1904 |
8 |
1 |
320 |
f |
E |
x,y,z |
1_555 |
19 |
9 |
17674 |
177.7 |
1.3 |
0.527 |
4 |
0 |
0 |
0.006 |
| 13 |
18 |
|
[GOL]A:1700 |
6 |
1 |
224 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
11373 |
134.0 |
-0.1 |
0.552 |
5 |
0 |
0 |
0.027 |
| 14 |
19 |
|
[COA]B:1903 |
14 |
1 |
702 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
11373 |
116.2 |
1.6 |
0.290 |
0 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[SO4]E:1401 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
17 |
10 |
17674 |
105.4 |
-16.9 |
0.622 |
6 |
0 |
0 |
0.225 |
| 16 |
21 |
|
[SO4]B:1400 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
17898 |
96.2 |
-14.7 |
0.805 |
7 |
0 |
0 |
0.206 |
| 17 |
22 |
|
E |
8 |
2 |
17674 |
◊ |
E |
y,x,-z+1/4 |
7_555 |
8 |
2 |
17674 |
89.6 |
-1.9 |
0.180 |
0 |
0 |
0 |
0.010 |
23 |
|
B |
8 |
2 |
17898 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
9 |
2 |
17898 |
88.5 |
-1.9 |
0.190 |
0 |
0 |
0 |
0.010 |
| Average: |
89.1 |
-1.9 |
0.185 |
0 |
0 |
0 |
0.010 |
| 18 |
24 |
|
[PO4]D:1601 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
11365 |
80.5 |
-5.0 |
0.810 |
6 |
0 |
0 |
0.088 |
| 19 |
25 |
|
[PO4]A:1600 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
11373 |
78.8 |
-4.9 |
0.809 |
5 |
0 |
0 |
0.082 |
| 20 |
26 |
|
[SO4]E:1501 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
17674 |
75.6 |
-10.3 |
0.836 |
2 |
0 |
0 |
0.128 |
| 21 |
27 |
|
[SO4]B:1500 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
17898 |
74.2 |
-9.9 |
0.837 |
3 |
0 |
0 |
0.130 |
| 22 |
28 |
|
[PO4]A:1600 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
17898 |
54.6 |
-3.5 |
0.646 |
2 |
0 |
0 |
0.055 |
29 |
|
[PO4]D:1601 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
8 |
5 |
17674 |
52.9 |
-3.4 |
0.652 |
3 |
0 |
0 |
0.055 |
| Average: |
53.7 |
-3.5 |
0.649 |
3 |
0 |
0 |
0.055 |
| 23 |
30 |
|
A |
5 |
1 |
11373 |
◊ |
A |
y,x,-z+1/4 |
7_555 |
5 |
1 |
11373 |
45.0 |
-0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
31 |
|
D |
5 |
2 |
11365 |
◊ |
D |
y,x,-z+1/4 |
7_555 |
5 |
2 |
11365 |
43.1 |
-0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
| Average: |
44.0 |
-0.1 |
0.645 |
0 |
0 |
0 |
0.001 |
| 24 |
32 |
|
[SO4]E:1501 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11365 |
41.5 |
-4.0 |
0.971 |
3 |
0 |
0 |
0.061 |
| 25 |
33 |
|
[SO4]B:1500 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11373 |
40.6 |
-3.9 |
0.972 |
3 |
0 |
0 |
0.060 |
| 26 |
34 |
|
E |
6 |
3 |
17674 |
◊ |
D |
x,-y,-z+1/2 |
6_555 |
4 |
3 |
11365 |
36.8 |
-0.1 |
0.543 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[COA]A:1300 |
3 |
1 |
984 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
3 |
1 |
17898 |
26.4 |
1.2 |
0.724 |
0 |
0 |
0 |
0.000 |
36 |
|
[COA]D:1301 |
3 |
1 |
982 |
◊ |
E |
y,x,-z+1/4 |
7_555 |
3 |
1 |
17674 |
26.4 |
1.1 |
0.716 |
0 |
0 |
0 |
0.000 |
| Average: |
26.4 |
1.1 |
0.720 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
[COA]A:1300 |
1 |
1 |
984 |
f |
[PO4]A:1600 |
x,y,z |
1_555 |
3 |
1 |
187 |
24.4 |
-2.1 |
0.291 |
1 |
0 |
0 |
0.029 |
| 29 |
38 |
|
D |
4 |
2 |
11365 |
◊ |
[COA]B:1903 |
x,y-1,z |
1_545 |
2 |
1 |
702 |
22.2 |
0.9 |
0.564 |
0 |
0 |
0 |
0.000 |
| 30 |
39 |
|
[COA]D:1301 |
1 |
1 |
982 |
f |
[PO4]D:1601 |
x,y,z |
1_555 |
3 |
1 |
187 |
21.7 |
-1.8 |
0.291 |
0 |
0 |
0 |
0.021 |
| 31 |
40 |
|
[COA]E:1904 |
2 |
1 |
320 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
11365 |
6.4 |
0.0 |
0.368 |
0 |
0 |
0 |
0.000 |
|