## |
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 |
|
E |
178 |
50 |
17716 |
◊ |
D |
x,y,z |
1_555 |
197 |
64 |
11506 |
1779.3 |
-23.6 |
0.057 |
16 |
9 |
0 |
0.405 |
2 |
|
B |
174 |
49 |
17966 |
◊ |
A |
x,y,z |
1_555 |
193 |
64 |
11507 |
1778.7 |
-24.0 |
0.045 |
18 |
9 |
0 |
0.405 |
Average: |
1779.0 |
-23.8 |
0.051 |
17 |
9 |
0 |
0.405 |
2 |
3 |
|
E |
84 |
28 |
17716 |
◊ |
B |
x,y,z |
1_555 |
88 |
28 |
17966 |
875.8 |
5.9 |
0.948 |
15 |
14 |
0 |
0.000 |
3 |
4 |
|
B |
53 |
12 |
17966 |
◊ |
A |
y,x,-z+1/4 |
7_555 |
60 |
16 |
11507 |
533.9 |
-7.4 |
0.151 |
5 |
4 |
0 |
0.110 |
5 |
|
E |
54 |
12 |
17716 |
◊ |
D |
y,x,-z+1/4 |
7_555 |
62 |
16 |
11506 |
530.3 |
-7.3 |
0.164 |
4 |
5 |
0 |
0.110 |
Average: |
532.1 |
-7.4 |
0.157 |
5 |
5 |
0 |
0.110 |
4 |
6 |
|
[COA]A:1300 |
39 |
1 |
859 |
◊ |
A |
x,y,z |
1_555 |
66 |
24 |
11507 |
494.7 |
1.9 |
0.391 |
6 |
0 |
0 |
0.000 |
7 |
|
[COA]D:1301 |
40 |
1 |
858 |
◊ |
D |
x,y,z |
1_555 |
65 |
24 |
11506 |
494.5 |
1.8 |
0.389 |
8 |
0 |
0 |
0.000 |
Average: |
494.6 |
1.8 |
0.390 |
7 |
0 |
0 |
0.000 |
5 |
8 |
|
E |
35 |
11 |
17716 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
41 |
13 |
17966 |
333.6 |
-4.0 |
0.232 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
E |
29 |
9 |
17716 |
◊ |
A |
y-1,x,-z+1/4 |
7_455 |
39 |
14 |
11507 |
301.7 |
-3.8 |
0.304 |
1 |
1 |
0 |
0.000 |
7 |
10 |
|
B |
37 |
12 |
17966 |
◊ |
B |
x,-y+1,-z+1/2 |
6_565 |
37 |
12 |
17966 |
295.8 |
1.8 |
0.818 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
D |
34 |
12 |
11506 |
◊ |
B |
x,y-1,z |
1_545 |
26 |
7 |
17966 |
271.0 |
-2.4 |
0.434 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
B |
22 |
7 |
17966 |
◊ |
D |
x,y,z |
1_555 |
24 |
10 |
11506 |
191.7 |
0.1 |
0.610 |
3 |
2 |
0 |
0.000 |
13 |
|
E |
20 |
6 |
17716 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
11507 |
189.9 |
0.1 |
0.604 |
3 |
2 |
0 |
0.000 |
Average: |
190.8 |
0.1 |
0.607 |
3 |
2 |
0 |
0.000 |
10 |
14 |
|
[COA]D:1301 |
21 |
1 |
858 |
f |
B |
x,y,z |
1_555 |
23 |
5 |
17966 |
190.9 |
-0.4 |
0.359 |
6 |
0 |
0 |
0.037 |
15 |
|
[COA]A:1300 |
23 |
1 |
859 |
f |
E |
x,y,z |
1_555 |
21 |
5 |
17716 |
189.1 |
-0.2 |
0.362 |
6 |
0 |
0 |
0.037 |
Average: |
190.0 |
-0.3 |
0.360 |
6 |
0 |
0 |
0.037 |
11 |
16 |
|
[COA]B:1903 |
13 |
1 |
509 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
17966 |
186.2 |
0.8 |
0.293 |
3 |
0 |
0 |
0.006 |
12 |
17 |
|
[COA]E:1904 |
8 |
1 |
316 |
f |
E |
x,y,z |
1_555 |
20 |
9 |
17716 |
169.5 |
0.9 |
0.434 |
2 |
0 |
0 |
0.000 |
13 |
18 |
|
[SO4]E:1401 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
18 |
10 |
17716 |
98.1 |
-14.7 |
0.824 |
5 |
0 |
0 |
0.213 |
14 |
19 |
|
[SO4]B:1400 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
17966 |
96.8 |
-15.1 |
0.830 |
6 |
0 |
0 |
0.215 |
15 |
20 |
|
E |
9 |
2 |
17716 |
◊ |
E |
y,x,-z+1/4 |
7_555 |
9 |
2 |
17716 |
95.2 |
-1.9 |
0.207 |
0 |
0 |
0 |
0.010 |
21 |
|
B |
9 |
2 |
17966 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
9 |
2 |
17966 |
89.5 |
-1.8 |
0.213 |
0 |
0 |
0 |
0.010 |
Average: |
92.3 |
-1.9 |
0.210 |
0 |
0 |
0 |
0.010 |
16 |
22 |
|
[PO4]A:1600 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11507 |
92.9 |
-5.5 |
0.792 |
6 |
0 |
0 |
0.100 |
17 |
23 |
|
[PO4]D:1601 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
11506 |
91.5 |
-5.5 |
0.801 |
6 |
0 |
0 |
0.103 |
18 |
24 |
|
[SO4]E:1501 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
17716 |
76.6 |
-10.4 |
0.808 |
1 |
0 |
0 |
0.137 |
19 |
25 |
|
[SO4]B:1500 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17966 |
75.6 |
-10.3 |
0.811 |
2 |
0 |
0 |
0.136 |
20 |
26 |
|
[PO4]A:1600 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
17966 |
57.5 |
-3.7 |
0.677 |
2 |
0 |
0 |
0.056 |
21 |
27 |
|
[PO4]D:1601 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
7 |
5 |
17716 |
56.3 |
-3.7 |
0.657 |
3 |
0 |
0 |
0.064 |
22 |
28 |
|
[COA]B:1903 |
7 |
1 |
509 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11507 |
49.7 |
1.0 |
0.398 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
A |
5 |
1 |
11507 |
◊ |
A |
y,x,-z+1/4 |
7_555 |
4 |
1 |
11507 |
47.1 |
0.4 |
0.780 |
0 |
0 |
0 |
0.000 |
30 |
|
D |
4 |
1 |
11506 |
◊ |
D |
y,x,-z+1/4 |
7_555 |
4 |
1 |
11506 |
45.9 |
0.5 |
0.815 |
0 |
0 |
0 |
0.000 |
Average: |
46.5 |
0.4 |
0.798 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
E |
4 |
2 |
17716 |
◊ |
D |
x,-y,-z+1/2 |
6_555 |
4 |
2 |
11506 |
42.0 |
-0.2 |
0.472 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[SO4]B:1500 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11507 |
36.5 |
-3.5 |
0.966 |
3 |
0 |
0 |
0.059 |
26 |
33 |
|
[SO4]E:1501 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11506 |
33.7 |
-3.4 |
0.959 |
1 |
0 |
0 |
0.049 |
27 |
34 |
|
[COA]D:1301 |
3 |
1 |
858 |
◊ |
E |
y,x,-z+1/4 |
7_555 |
3 |
1 |
17716 |
28.6 |
1.0 |
0.711 |
0 |
0 |
0 |
0.000 |
35 |
|
[COA]A:1300 |
3 |
1 |
859 |
◊ |
B |
y,x,-z+1/4 |
7_555 |
3 |
1 |
17966 |
27.4 |
1.0 |
0.715 |
0 |
0 |
0 |
0.000 |
Average: |
28.0 |
1.0 |
0.713 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[COA]E:1904 |
1 |
1 |
316 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
11506 |
12.9 |
0.3 |
0.444 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
D |
1 |
1 |
11506 |
◊ |
[COA]B:1903 |
x,y-1,z |
1_545 |
1 |
1 |
509 |
11.8 |
0.5 |
0.701 |
0 |
0 |
0 |
0.000 |
|