## |
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 |
|
G |
88 |
25 |
13506 |
◊ |
F |
-x,y-1,-z-1 |
2_544 |
96 |
27 |
13671 |
859.2 |
-3.5 |
0.521 |
10 |
4 |
0 |
0.070 |
2 |
|
B |
88 |
26 |
13286 |
◊ |
A |
-x,y-1,-z |
2_545 |
88 |
26 |
13693 |
836.3 |
-2.9 |
0.589 |
13 |
4 |
0 |
0.070 |
Average: |
847.7 |
-3.2 |
0.555 |
12 |
4 |
0 |
0.070 |
2 |
3 |
|
B |
80 |
23 |
13286 |
◊ |
B |
-x,y,-z |
2_555 |
80 |
23 |
13286 |
675.5 |
-9.0 |
0.179 |
8 |
8 |
0 |
0.134 |
4 |
|
F |
80 |
22 |
13671 |
◊ |
F |
-x,y,-z-1 |
2_554 |
80 |
22 |
13671 |
666.5 |
-8.7 |
0.151 |
8 |
8 |
0 |
0.134 |
5 |
|
G |
79 |
22 |
13506 |
◊ |
G |
-x,y,-z-1 |
2_554 |
79 |
22 |
13506 |
659.8 |
-8.5 |
0.180 |
8 |
8 |
0 |
0.134 |
6 |
|
A |
79 |
21 |
13693 |
◊ |
A |
-x,y,-z |
2_555 |
78 |
21 |
13693 |
651.7 |
-8.8 |
0.154 |
6 |
8 |
0 |
0.134 |
Average: |
663.4 |
-8.7 |
0.166 |
8 |
8 |
0 |
0.134 |
3 |
7 |
|
G |
44 |
15 |
13506 |
◊ |
F |
-x-1/2,y-1/2,-z-1 |
4_444 |
50 |
15 |
13671 |
457.0 |
-2.7 |
0.393 |
6 |
0 |
0 |
0.000 |
8 |
|
B |
48 |
18 |
13286 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
49 |
15 |
13693 |
453.9 |
-2.7 |
0.445 |
6 |
0 |
0 |
0.000 |
Average: |
455.5 |
-2.7 |
0.419 |
6 |
0 |
0 |
0.000 |
4 |
9 |
|
G |
46 |
17 |
13506 |
◊ |
F |
-x,y,-z-1 |
2_554 |
48 |
19 |
13671 |
420.4 |
-5.9 |
0.163 |
0 |
0 |
0 |
0.050 |
10 |
|
B |
34 |
15 |
13286 |
◊ |
A |
-x,y,-z |
2_555 |
36 |
15 |
13693 |
318.1 |
-5.5 |
0.132 |
0 |
0 |
0 |
0.050 |
Average: |
369.2 |
-5.7 |
0.148 |
0 |
0 |
0 |
0.050 |
5 |
11 |
|
G |
39 |
13 |
13506 |
◊ |
A |
-x,y,-z-1 |
2_554 |
39 |
13 |
13693 |
337.2 |
-0.8 |
0.591 |
2 |
0 |
0 |
0.000 |
6 |
12 |
|
F |
31 |
11 |
13671 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
13693 |
289.7 |
-0.3 |
0.631 |
5 |
2 |
0 |
0.000 |
7 |
13 |
|
B |
22 |
7 |
13286 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
13693 |
172.4 |
-0.1 |
0.649 |
2 |
0 |
0 |
0.012 |
14 |
|
G |
20 |
7 |
13506 |
◊ |
F |
x,y,z |
1_555 |
18 |
6 |
13671 |
160.3 |
-0.9 |
0.477 |
1 |
0 |
0 |
0.012 |
Average: |
166.4 |
-0.5 |
0.563 |
2 |
0 |
0 |
0.012 |
8 |
15 |
|
G |
14 |
4 |
13506 |
◊ |
F |
x,y-1,z |
1_545 |
12 |
4 |
13671 |
147.6 |
1.0 |
0.768 |
3 |
0 |
0 |
0.003 |
16 |
|
B |
13 |
4 |
13286 |
◊ |
A |
x,y-1,z |
1_545 |
12 |
4 |
13693 |
142.1 |
0.9 |
0.761 |
2 |
0 |
0 |
0.003 |
Average: |
144.9 |
1.0 |
0.764 |
3 |
0 |
0 |
0.003 |
9 |
17 |
|
[SO4]F:402 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
13671 |
104.4 |
-14.6 |
0.843 |
4 |
0 |
0 |
0.326 |
10 |
18 |
|
[SO4]G:402 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
17 |
6 |
13506 |
103.6 |
-15.3 |
0.794 |
2 |
0 |
0 |
0.298 |
11 |
19 |
|
[SO4]G:404 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
13506 |
99.3 |
-10.5 |
0.924 |
4 |
0 |
0 |
0.226 |
12 |
20 |
|
[SO4]B:403 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
13286 |
97.1 |
-14.1 |
0.824 |
5 |
0 |
0 |
0.270 |
13 |
21 |
|
[SO4]G:401 |
4 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
13 |
5 |
13506 |
86.1 |
-13.8 |
0.611 |
2 |
0 |
0 |
0.270 |
14 |
22 |
|
[SO4]B:401 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
13286 |
85.2 |
-12.6 |
0.778 |
4 |
0 |
0 |
0.238 |
15 |
23 |
|
[SO4]A:401 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13693 |
84.8 |
-12.8 |
0.694 |
2 |
0 |
0 |
0.290 |
16 |
24 |
|
[SO4]F:401 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
13671 |
82.8 |
-12.7 |
0.648 |
2 |
0 |
0 |
0.270 |
17 |
25 |
|
[SO4]B:405 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
13286 |
74.5 |
-8.5 |
0.960 |
4 |
0 |
0 |
0.171 |
18 |
26 |
|
[SO4]B:406 |
5 |
1 |
187 |
f |
A |
x,y-1,z |
1_545 |
12 |
5 |
13693 |
72.0 |
-9.2 |
0.896 |
3 |
0 |
0 |
0.224 |
19 |
27 |
|
[SO4]B:406 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
13286 |
63.9 |
-8.8 |
0.803 |
2 |
0 |
0 |
0.099 |
20 |
28 |
|
G |
10 |
4 |
13506 |
◊ |
B |
x-1/2,y+1/2,z-1 |
3_454 |
16 |
6 |
13286 |
62.0 |
0.5 |
0.710 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[SO4]B:404 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13693 |
57.7 |
-7.3 |
0.855 |
0 |
0 |
0 |
0.156 |
22 |
30 |
|
[SO4]G:403 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
13671 |
50.4 |
-6.8 |
0.824 |
0 |
0 |
0 |
0.136 |
23 |
31 |
|
[SO4]B:404 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13286 |
40.4 |
-4.4 |
0.843 |
0 |
0 |
0 |
0.036 |
24 |
32 |
|
[SO4]F:401 |
3 |
1 |
187 |
◊ |
F |
-x,y,-z-1 |
2_554 |
4 |
2 |
13671 |
40.2 |
-4.4 |
0.901 |
1 |
0 |
0 |
0.097 |
25 |
33 |
|
[SO4]B:401 |
4 |
1 |
187 |
◊ |
B |
-x,y,-z |
2_555 |
5 |
2 |
13286 |
38.7 |
-3.8 |
0.914 |
1 |
0 |
0 |
0.070 |
26 |
34 |
|
[SO4]B:402 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
13286 |
38.4 |
-4.4 |
0.960 |
1 |
0 |
0 |
0.080 |
27 |
35 |
|
[SO4]A:401 |
4 |
1 |
187 |
◊ |
A |
-x,y,-z |
2_555 |
5 |
2 |
13693 |
37.8 |
-4.1 |
0.895 |
2 |
0 |
0 |
0.106 |
28 |
36 |
|
G |
3 |
1 |
13506 |
◊ |
[SO4]F:401 |
x,y-1,z |
1_545 |
4 |
1 |
187 |
37.4 |
-3.5 |
0.939 |
2 |
0 |
0 |
0.036 |
29 |
37 |
|
[SO4]G:401 |
4 |
1 |
187 |
◊ |
G |
-x,y,-z-1 |
2_554 |
5 |
2 |
13506 |
37.4 |
-4.2 |
0.899 |
1 |
0 |
0 |
0.085 |
30 |
38 |
|
[SO4]G:403 |
4 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
13506 |
35.5 |
-4.8 |
0.834 |
0 |
0 |
0 |
0.041 |
31 |
39 |
|
[SO4]B:401 |
3 |
1 |
187 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
13693 |
34.1 |
-3.4 |
0.935 |
1 |
0 |
0 |
0.039 |
32 |
40 |
|
[SO4]G:401 |
3 |
1 |
187 |
◊ |
F |
x,y-1,z |
1_545 |
2 |
1 |
13671 |
33.7 |
-3.0 |
0.946 |
2 |
0 |
0 |
0.032 |
33 |
41 |
|
[SO4]B:402 |
3 |
1 |
186 |
◊ |
B |
-x,y,-z |
2_555 |
3 |
1 |
13286 |
26.7 |
-3.4 |
0.451 |
0 |
0 |
0 |
0.057 |
34 |
42 |
|
[SO4]G:404 |
1 |
1 |
186 |
◊ |
F |
-x,y,-z-1 |
2_554 |
2 |
1 |
13671 |
19.8 |
-1.8 |
0.866 |
1 |
0 |
0 |
0.019 |
35 |
43 |
|
B |
2 |
1 |
13286 |
◊ |
[SO4]A:401 |
x,y-1,z |
1_545 |
3 |
1 |
187 |
18.6 |
-2.5 |
0.471 |
0 |
0 |
0 |
0.026 |
36 |
44 |
|
[SO4]G:403 |
3 |
1 |
187 |
◊ |
F |
-x,y,-z-1 |
2_554 |
2 |
1 |
13671 |
17.5 |
-1.9 |
0.870 |
0 |
0 |
0 |
0.038 |
37 |
45 |
|
[SO4]B:405 |
1 |
1 |
187 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
13693 |
16.4 |
-1.4 |
0.879 |
1 |
0 |
0 |
0.015 |
38 |
46 |
|
[SO4]B:404 |
3 |
1 |
186 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
1 |
13693 |
14.6 |
-1.4 |
0.917 |
0 |
0 |
0 |
0.029 |
39 |
47 |
|
[SO4]B:406 |
1 |
1 |
187 |
f |
[SO4]A:401 |
x,y-1,z |
1_545 |
2 |
1 |
187 |
12.3 |
-2.9 |
0.876 |
0 |
0 |
0 |
0.062 |
40 |
48 |
|
[SO4]B:406 |
1 |
1 |
187 |
◊ |
[SO4]B:401 |
x,y,z |
1_555 |
1 |
1 |
187 |
3.6 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.009 |
|