## |
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 |
280 |
76 |
15550 |
◊ |
A |
x,y,z |
1_555 |
280 |
75 |
15582 |
2533.1 |
-18.9 |
0.353 |
65 |
18 |
0 |
0.635 |
2 |
|
D |
275 |
75 |
15599 |
◊ |
C |
x,y,z |
1_555 |
284 |
76 |
15509 |
2527.4 |
-16.8 |
0.341 |
59 |
20 |
0 |
0.635 |
Average: |
2530.3 |
-17.9 |
0.347 |
62 |
19 |
0 |
0.635 |
2 |
3 |
|
C |
65 |
17 |
15509 |
◊ |
B |
x,y,z |
1_555 |
65 |
16 |
15550 |
620.2 |
-9.2 |
0.110 |
11 |
1 |
0 |
0.205 |
4 |
|
D |
65 |
16 |
15599 |
◊ |
A |
x,y,z |
1_555 |
61 |
16 |
15582 |
604.3 |
-10.9 |
0.044 |
10 |
1 |
0 |
0.205 |
Average: |
612.2 |
-10.1 |
0.077 |
11 |
1 |
0 |
0.205 |
3 |
5 |
|
A |
59 |
19 |
15582 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
56 |
18 |
15582 |
469.0 |
-3.5 |
0.475 |
5 |
1 |
0 |
0.000 |
6 |
|
B |
53 |
16 |
15550 |
x |
B |
-x,y-1/2,-z |
2_545 |
52 |
17 |
15550 |
452.4 |
-3.8 |
0.415 |
5 |
1 |
0 |
0.000 |
Average: |
460.7 |
-3.7 |
0.445 |
5 |
1 |
0 |
0.000 |
4 |
7 |
|
C |
42 |
12 |
15509 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
13 |
15509 |
348.4 |
-1.2 |
0.610 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
D |
31 |
10 |
15599 |
◊ |
B |
x,y,z |
1_555 |
38 |
10 |
15550 |
277.4 |
-2.6 |
0.391 |
6 |
0 |
0 |
0.020 |
6 |
9 |
|
C |
30 |
10 |
15509 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
15582 |
247.7 |
-1.9 |
0.460 |
3 |
0 |
0 |
0.012 |
7 |
10 |
|
C |
28 |
9 |
15509 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
7 |
15599 |
218.5 |
-1.7 |
0.433 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[MPD]C:1003 |
8 |
1 |
276 |
f |
C |
x,y,z |
1_555 |
30 |
14 |
15509 |
187.9 |
-13.2 |
0.548 |
0 |
0 |
0 |
0.365 |
12 |
|
[MPD]D:1004 |
8 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
29 |
14 |
15599 |
184.7 |
-13.3 |
0.524 |
0 |
0 |
0 |
0.365 |
13 |
|
[MPD]B:1002 |
8 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
15550 |
184.2 |
-13.3 |
0.537 |
1 |
0 |
0 |
0.365 |
Average: |
185.6 |
-13.3 |
0.537 |
0 |
0 |
0 |
0.365 |
9 |
14 |
|
[MPD]A:1001 |
7 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
28 |
14 |
15582 |
185.5 |
-13.5 |
0.564 |
1 |
0 |
0 |
0.184 |
10 |
15 |
|
D |
9 |
4 |
15599 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
3 |
15509 |
93.6 |
0.3 |
0.656 |
3 |
1 |
0 |
0.000 |
11 |
16 |
|
[SO4]B:2006 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15550 |
86.8 |
-11.9 |
0.813 |
2 |
0 |
0 |
0.171 |
12 |
17 |
|
[SO4]A:2005 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15582 |
84.7 |
-12.1 |
0.790 |
2 |
0 |
0 |
0.171 |
13 |
18 |
|
A |
14 |
4 |
15582 |
◊ |
B |
x,y-1,z |
1_545 |
11 |
4 |
15550 |
81.7 |
0.6 |
0.757 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[SO4]B:2003 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
15550 |
72.6 |
-9.4 |
0.873 |
4 |
0 |
0 |
0.150 |
15 |
20 |
|
[SO4]A:2002 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15582 |
70.4 |
-9.2 |
0.892 |
4 |
0 |
0 |
0.144 |
16 |
21 |
|
[SO4]B:2001 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
15550 |
68.0 |
-8.4 |
0.949 |
2 |
0 |
0 |
0.125 |
17 |
22 |
|
[SO4]A:2004 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
15582 |
64.4 |
-7.8 |
0.933 |
3 |
0 |
0 |
0.121 |
18 |
23 |
|
[SO4]B:2001 |
2 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15582 |
25.0 |
-3.0 |
0.842 |
0 |
0 |
0 |
0.020 |
19 |
24 |
|
A |
5 |
4 |
15582 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
5 |
3 |
15550 |
23.4 |
0.4 |
0.726 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
5 |
3 |
15582 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
3 |
15550 |
19.0 |
0.3 |
0.735 |
0 |
0 |
0 |
0.000 |
Average: |
21.2 |
0.3 |
0.730 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[SO4]A:2004 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
15550 |
20.5 |
-2.0 |
0.858 |
0 |
0 |
0 |
0.014 |
21 |
27 |
|
[SO4]A:2004 |
3 |
1 |
188 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
15550 |
14.2 |
-1.1 |
0.960 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
A |
2 |
1 |
15582 |
◊ |
[SO4]B:2001 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
188 |
11.5 |
-1.5 |
0.545 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
D |
1 |
1 |
15599 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
15599 |
7.6 |
0.2 |
0.750 |
0 |
0 |
0 |
0.000 |
|