## |
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 |
|
R |
195 |
55 |
14538 |
◊ |
Q |
x,y,z |
1_555 |
194 |
55 |
14585 |
2068.9 |
-29.9 |
0.007 |
32 |
27 |
0 |
0.344 |
2 |
|
P |
203 |
54 |
14747 |
◊ |
O |
x,y,z |
1_555 |
198 |
53 |
14689 |
2055.0 |
-29.6 |
0.008 |
29 |
29 |
0 |
0.344 |
Average: |
2062.0 |
-29.7 |
0.007 |
31 |
28 |
0 |
0.344 |
2 |
3 |
|
R |
131 |
38 |
14538 |
◊ |
O |
x,y,z |
1_555 |
128 |
37 |
14689 |
1316.6 |
-15.1 |
0.090 |
15 |
2 |
0 |
0.190 |
4 |
|
Q |
129 |
37 |
14585 |
◊ |
P |
x,y,z |
1_555 |
128 |
36 |
14747 |
1315.4 |
-12.5 |
0.165 |
18 |
6 |
0 |
0.190 |
Average: |
1316.0 |
-13.8 |
0.127 |
17 |
4 |
0 |
0.190 |
3 |
5 |
|
[NDP]R:336 |
43 |
1 |
879 |
f |
R |
x,y,z |
1_555 |
84 |
31 |
14538 |
555.1 |
-3.6 |
0.483 |
10 |
0 |
0 |
0.144 |
6 |
|
[NDP]Q:336 |
42 |
1 |
886 |
f |
Q |
x,y,z |
1_555 |
80 |
29 |
14585 |
553.4 |
-4.2 |
0.421 |
9 |
0 |
0 |
0.144 |
7 |
|
[NDP]O:336 |
42 |
1 |
877 |
f |
O |
x,y,z |
1_555 |
81 |
31 |
14689 |
551.6 |
-3.6 |
0.438 |
10 |
0 |
0 |
0.144 |
8 |
|
[NDP]P:336 |
43 |
1 |
882 |
f |
P |
x,y,z |
1_555 |
74 |
30 |
14747 |
538.8 |
-4.1 |
0.411 |
10 |
0 |
0 |
0.144 |
Average: |
549.7 |
-3.9 |
0.438 |
10 |
0 |
0 |
0.144 |
4 |
9 |
|
R |
61 |
14 |
14538 |
◊ |
P |
x,y,z |
1_555 |
62 |
16 |
14747 |
497.0 |
0.6 |
0.750 |
5 |
0 |
0 |
0.008 |
10 |
|
Q |
56 |
14 |
14585 |
◊ |
O |
x,y,z |
1_555 |
53 |
14 |
14689 |
489.0 |
1.2 |
0.760 |
5 |
0 |
0 |
0.008 |
Average: |
493.0 |
0.9 |
0.755 |
5 |
0 |
0 |
0.008 |
5 |
11 |
|
P |
56 |
18 |
14747 |
◊ |
O |
x-1/2,-y+1/2,-z+1 |
4_456 |
59 |
17 |
14689 |
474.9 |
1.9 |
0.766 |
9 |
5 |
0 |
0.000 |
6 |
12 |
|
O |
55 |
16 |
14689 |
◊ |
O |
-x+1,-y+1,z |
2_665 |
55 |
16 |
14689 |
431.4 |
-0.9 |
0.595 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
Q |
46 |
14 |
14585 |
◊ |
R |
x-1/2,-y+1/2,-z |
4_455 |
43 |
12 |
14538 |
386.9 |
1.6 |
0.759 |
6 |
4 |
0 |
0.000 |
8 |
14 |
|
R |
50 |
14 |
14538 |
◊ |
R |
-x+1,-y,z |
2_655 |
50 |
14 |
14538 |
379.1 |
-0.8 |
0.645 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
Q |
36 |
8 |
14585 |
◊ |
O |
-x+1,-y+1,z |
2_665 |
39 |
13 |
14689 |
303.1 |
-0.1 |
0.608 |
2 |
1 |
0 |
0.000 |
10 |
16 |
|
R |
24 |
9 |
14538 |
◊ |
P |
-x+1,-y,z |
2_655 |
22 |
5 |
14747 |
183.9 |
0.9 |
0.742 |
4 |
3 |
0 |
0.000 |
11 |
17 |
|
[SO4]P:339 |
5 |
1 |
182 |
f |
P |
x,y,z |
1_555 |
22 |
12 |
14747 |
105.9 |
-15.5 |
0.761 |
4 |
0 |
0 |
0.149 |
12 |
18 |
|
[SO4]O:339 |
5 |
1 |
182 |
f |
O |
x,y,z |
1_555 |
19 |
10 |
14689 |
104.5 |
-14.8 |
0.746 |
3 |
0 |
0 |
0.139 |
13 |
19 |
|
[SO4]R:339 |
5 |
1 |
183 |
f |
R |
x,y,z |
1_555 |
18 |
10 |
14538 |
103.7 |
-14.8 |
0.779 |
3 |
0 |
0 |
0.139 |
14 |
20 |
|
[SO4]Q:339 |
5 |
1 |
182 |
f |
Q |
x,y,z |
1_555 |
19 |
10 |
14585 |
102.7 |
-14.5 |
0.752 |
4 |
0 |
0 |
0.140 |
15 |
21 |
|
[SO4]P:338 |
5 |
1 |
183 |
f |
P |
x,y,z |
1_555 |
13 |
7 |
14747 |
75.4 |
-11.0 |
0.736 |
4 |
0 |
0 |
0.110 |
22 |
|
[SO4]R:338 |
5 |
1 |
181 |
f |
R |
x,y,z |
1_555 |
11 |
6 |
14538 |
72.7 |
-10.6 |
0.754 |
3 |
0 |
0 |
0.110 |
Average: |
74.1 |
-10.8 |
0.745 |
4 |
0 |
0 |
0.110 |
16 |
23 |
|
[SO4]O:338 |
5 |
1 |
182 |
f |
O |
x,y,z |
1_555 |
11 |
6 |
14689 |
73.9 |
-11.0 |
0.738 |
3 |
0 |
0 |
0.107 |
17 |
24 |
|
[SO4]Q:338 |
5 |
1 |
182 |
f |
Q |
x,y,z |
1_555 |
11 |
5 |
14585 |
71.0 |
-10.2 |
0.775 |
3 |
0 |
0 |
0.099 |
18 |
25 |
|
[NDP]O:336 |
12 |
1 |
877 |
f |
[SO4]O:338 |
x,y,z |
1_555 |
4 |
1 |
182 |
52.8 |
-8.0 |
0.616 |
0 |
0 |
0 |
0.069 |
19 |
26 |
|
[NDP]P:336 |
13 |
1 |
882 |
f |
[SO4]P:338 |
x,y,z |
1_555 |
4 |
1 |
183 |
52.1 |
-7.7 |
0.612 |
0 |
0 |
0 |
0.066 |
27 |
|
[NDP]R:336 |
11 |
1 |
879 |
f |
[SO4]R:338 |
x,y,z |
1_555 |
4 |
1 |
181 |
51.9 |
-7.7 |
0.596 |
0 |
0 |
0 |
0.066 |
Average: |
52.0 |
-7.7 |
0.604 |
0 |
0 |
0 |
0.066 |
20 |
28 |
|
[NDP]Q:336 |
10 |
1 |
886 |
f |
[SO4]Q:338 |
x,y,z |
1_555 |
4 |
1 |
182 |
51.9 |
-7.9 |
0.600 |
0 |
0 |
0 |
0.068 |
21 |
29 |
|
[NDP]Q:336 |
10 |
1 |
886 |
◊ |
P |
x,y,z |
1_555 |
7 |
4 |
14747 |
47.8 |
-0.8 |
0.456 |
0 |
0 |
0 |
0.016 |
30 |
|
[NDP]R:336 |
10 |
1 |
879 |
◊ |
O |
x,y,z |
1_555 |
6 |
4 |
14689 |
40.3 |
-1.0 |
0.391 |
0 |
0 |
0 |
0.016 |
31 |
|
[NDP]O:336 |
10 |
1 |
877 |
◊ |
R |
x,y,z |
1_555 |
5 |
4 |
14538 |
35.8 |
-0.8 |
0.434 |
0 |
0 |
0 |
0.016 |
32 |
|
[NDP]P:336 |
6 |
1 |
882 |
◊ |
Q |
x,y,z |
1_555 |
6 |
4 |
14585 |
27.9 |
-0.6 |
0.458 |
0 |
0 |
0 |
0.016 |
Average: |
37.9 |
-0.8 |
0.435 |
0 |
0 |
0 |
0.016 |
22 |
33 |
|
[SO4]Q:339 |
1 |
1 |
182 |
f |
[SO4]Q:338 |
x,y,z |
1_555 |
1 |
1 |
182 |
8.1 |
-2.0 |
0.800 |
0 |
0 |
0 |
0.017 |
23 |
34 |
|
[SO4]O:339 |
1 |
1 |
182 |
f |
[SO4]O:338 |
x,y,z |
1_555 |
1 |
1 |
182 |
8.0 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.017 |
24 |
35 |
|
[SO4]R:339 |
1 |
1 |
183 |
f |
[SO4]R:338 |
x,y,z |
1_555 |
1 |
1 |
181 |
7.6 |
-1.8 |
0.800 |
0 |
0 |
0 |
0.016 |
25 |
36 |
|
[SO4]P:339 |
2 |
1 |
182 |
f |
[SO4]P:338 |
x,y,z |
1_555 |
1 |
1 |
183 |
5.2 |
-1.2 |
0.876 |
0 |
0 |
0 |
0.011 |
|