## |
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 |
|
F |
220 |
50 |
9650 |
◊ |
E |
x,y,z |
1_555 |
210 |
50 |
8786 |
2021.7 |
-42.1 |
0.377 |
9 |
6 |
0 |
0.831 |
2 |
|
B |
212 |
50 |
9629 |
◊ |
A |
x,y,z |
1_555 |
207 |
49 |
8958 |
2018.3 |
-42.4 |
0.364 |
11 |
6 |
0 |
0.831 |
Average: |
2020.0 |
-42.3 |
0.371 |
10 |
6 |
0 |
0.831 |
2 |
3 |
|
G |
156 |
42 |
7547 |
◊ |
F |
x,y,z |
1_555 |
156 |
39 |
9650 |
1508.5 |
-31.3 |
0.142 |
9 |
9 |
0 |
0.668 |
4 |
|
C |
147 |
38 |
7440 |
◊ |
B |
x,y,z |
1_555 |
142 |
36 |
9629 |
1412.4 |
-30.4 |
0.107 |
10 |
8 |
0 |
0.668 |
Average: |
1460.4 |
-30.8 |
0.124 |
10 |
9 |
0 |
0.668 |
3 |
5 |
|
D |
131 |
32 |
6342 |
◊ |
C |
x,y,z |
1_555 |
145 |
36 |
7440 |
1337.9 |
-19.1 |
0.139 |
16 |
11 |
0 |
0.693 |
6 |
|
H |
136 |
32 |
6230 |
◊ |
G |
x,y,z |
1_555 |
142 |
36 |
7547 |
1333.4 |
-18.8 |
0.154 |
16 |
13 |
0 |
0.693 |
Average: |
1335.6 |
-19.0 |
0.147 |
16 |
12 |
0 |
0.693 |
4 |
7 |
|
H |
122 |
32 |
6230 |
◊ |
E |
x,y,z |
1_555 |
120 |
29 |
8786 |
1174.2 |
-18.8 |
0.218 |
10 |
9 |
0 |
0.787 |
8 |
|
D |
123 |
33 |
6342 |
◊ |
A |
x,y,z |
1_555 |
116 |
28 |
8958 |
1164.9 |
-16.9 |
0.275 |
12 |
11 |
0 |
0.787 |
Average: |
1169.6 |
-17.9 |
0.246 |
11 |
10 |
0 |
0.787 |
5 |
9 |
|
H |
33 |
16 |
6230 |
◊ |
F |
x,y,z |
1_555 |
31 |
13 |
9650 |
321.4 |
-8.7 |
0.081 |
1 |
2 |
0 |
0.089 |
10 |
|
D |
33 |
15 |
6342 |
◊ |
B |
x,y,z |
1_555 |
32 |
13 |
9629 |
306.6 |
-8.8 |
0.087 |
1 |
1 |
0 |
0.089 |
Average: |
314.0 |
-8.7 |
0.084 |
1 |
2 |
0 |
0.089 |
6 |
11 |
|
E |
29 |
8 |
8786 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
32 |
8 |
8958 |
299.3 |
-10.7 |
0.096 |
0 |
0 |
0 |
0.327 |
7 |
12 |
|
G |
31 |
12 |
7547 |
◊ |
E |
x,y,z |
1_555 |
28 |
11 |
8786 |
269.1 |
-6.3 |
0.227 |
1 |
0 |
0 |
0.085 |
13 |
|
C |
30 |
11 |
7440 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
8958 |
255.9 |
-6.2 |
0.219 |
1 |
0 |
0 |
0.085 |
Average: |
262.5 |
-6.3 |
0.223 |
1 |
0 |
0 |
0.085 |
8 |
14 |
|
E |
19 |
8 |
8786 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
8958 |
268.8 |
-5.7 |
0.340 |
1 |
0 |
0 |
0.188 |
9 |
15 |
|
H |
28 |
8 |
6230 |
◊ |
D |
x-1/2,y-1/2,z-2 |
3_443 |
30 |
10 |
6342 |
265.7 |
1.1 |
0.783 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
H |
29 |
7 |
6230 |
◊ |
C |
x-1/2,y-1/2,z-1 |
3_444 |
30 |
6 |
7440 |
265.3 |
0.4 |
0.658 |
3 |
2 |
0 |
0.000 |
11 |
17 |
|
G |
31 |
8 |
7547 |
◊ |
A |
x-1/2,y-1/2,z-2 |
3_443 |
30 |
7 |
8958 |
262.4 |
-0.6 |
0.649 |
2 |
4 |
0 |
0.000 |
12 |
18 |
|
F |
18 |
6 |
9650 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
9629 |
205.7 |
-6.5 |
0.236 |
0 |
0 |
0 |
0.021 |
13 |
19 |
|
H |
25 |
7 |
6230 |
◊ |
A |
x-1/2,y-1/2,z-2 |
3_443 |
22 |
5 |
8958 |
202.2 |
1.6 |
0.806 |
4 |
1 |
0 |
0.000 |
14 |
20 |
|
A |
17 |
5 |
8958 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
17 |
5 |
8958 |
165.9 |
-5.2 |
0.248 |
0 |
0 |
0 |
0.080 |
15 |
21 |
|
G |
15 |
3 |
7547 |
x |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
21 |
5 |
7547 |
163.0 |
0.6 |
0.752 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
[GGG]A:117 |
10 |
1 |
355 |
◊ |
F |
-x+1,y,-z+2 |
2_657 |
14 |
4 |
9650 |
124.0 |
-0.2 |
0.488 |
1 |
0 |
0 |
0.002 |
17 |
23 |
|
[GGG]A:117 |
11 |
1 |
355 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8958 |
104.8 |
-0.3 |
0.326 |
0 |
0 |
0 |
0.010 |
18 |
24 |
|
[GGG]E:1 |
8 |
1 |
367 |
◊ |
F |
x,y,z |
1_555 |
13 |
3 |
9650 |
101.9 |
2.1 |
0.730 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
G |
10 |
3 |
7547 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
5 |
9650 |
91.8 |
0.1 |
0.746 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[GGG]E:1 |
8 |
1 |
367 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
8786 |
90.4 |
0.2 |
0.502 |
1 |
0 |
0 |
0.007 |
21 |
27 |
|
F |
7 |
3 |
9650 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
10 |
3 |
8958 |
85.9 |
-3.7 |
0.121 |
0 |
0 |
0 |
0.013 |
22 |
28 |
|
[SO4]F:3 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
9650 |
84.7 |
-11.4 |
0.850 |
1 |
0 |
0 |
0.185 |
23 |
29 |
|
[GGG]A:1 |
10 |
1 |
366 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8958 |
84.7 |
1.8 |
0.504 |
1 |
0 |
0 |
0.000 |
24 |
30 |
|
G |
9 |
4 |
7547 |
◊ |
D |
x-1/2,y-1/2,z-2 |
3_443 |
7 |
3 |
6342 |
81.6 |
1.1 |
0.802 |
1 |
2 |
0 |
0.000 |
25 |
31 |
|
[SO4]E:7 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
8786 |
80.6 |
-12.6 |
0.760 |
2 |
0 |
0 |
0.411 |
26 |
32 |
|
[SO4]F:2 |
5 |
1 |
185 |
f |
B |
-x+1,y,-z+2 |
2_657 |
10 |
3 |
9629 |
79.0 |
-10.9 |
0.853 |
1 |
0 |
0 |
0.211 |
27 |
33 |
|
E |
11 |
3 |
8786 |
◊ |
D |
x-1/2,y-1/2,z-2 |
3_443 |
9 |
3 |
6342 |
75.6 |
-0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
A |
9 |
4 |
8958 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
3 |
6342 |
67.4 |
1.2 |
0.736 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[SO4]D:4 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
6342 |
65.6 |
-7.1 |
0.902 |
1 |
0 |
0 |
0.248 |
30 |
36 |
|
[GGG]A:1 |
4 |
1 |
366 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
9629 |
61.7 |
0.6 |
0.555 |
1 |
0 |
0 |
0.000 |
31 |
37 |
|
[SO4]E:7 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
8 |
2 |
9650 |
61.7 |
-7.5 |
0.892 |
2 |
0 |
0 |
0.081 |
32 |
38 |
|
[SO4]H:10 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
8 |
3 |
6230 |
61.3 |
-6.6 |
0.879 |
1 |
0 |
0 |
0.175 |
33 |
39 |
|
F |
7 |
3 |
9650 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
7 |
5 |
9629 |
60.9 |
2.5 |
0.953 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[SO4]F:9 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
12 |
3 |
9650 |
59.7 |
-7.0 |
0.852 |
0 |
0 |
0 |
0.110 |
35 |
41 |
|
[SO4]E:117 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
6 |
2 |
9650 |
56.8 |
-6.6 |
0.908 |
3 |
0 |
0 |
0.124 |
36 |
42 |
|
[SO4]D:4 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
7440 |
55.0 |
-6.5 |
0.852 |
0 |
0 |
0 |
0.136 |
37 |
43 |
|
[SO4]E:117 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
8786 |
53.9 |
-5.6 |
0.946 |
2 |
0 |
0 |
0.063 |
38 |
44 |
|
[SO4]C:84 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
7440 |
50.9 |
-5.7 |
0.836 |
1 |
0 |
0 |
0.128 |
39 |
45 |
|
[SO4]F:2 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
9650 |
48.0 |
-5.3 |
0.937 |
2 |
0 |
0 |
0.096 |
40 |
46 |
|
[SO4]H:10 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
7547 |
44.9 |
-5.3 |
0.874 |
0 |
0 |
0 |
0.132 |
41 |
47 |
|
[SO4]F:9 |
4 |
1 |
185 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
6 |
2 |
9629 |
41.4 |
-4.1 |
0.930 |
2 |
0 |
0 |
0.077 |
42 |
48 |
|
H |
3 |
1 |
6230 |
◊ |
C |
x-1/2,y-1/2,z-2 |
3_443 |
3 |
2 |
7440 |
40.8 |
0.4 |
0.695 |
0 |
1 |
0 |
0.000 |
43 |
49 |
|
[SO4]F:3 |
4 |
1 |
185 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
4 |
2 |
9629 |
40.6 |
-5.5 |
0.891 |
1 |
0 |
0 |
0.093 |
44 |
50 |
|
E |
7 |
4 |
8786 |
◊ |
E |
-x+1,y,-z+2 |
2_657 |
7 |
4 |
8786 |
40.2 |
-1.3 |
0.536 |
0 |
0 |
0 |
0.020 |
45 |
51 |
|
[GGG]A:117 |
4 |
1 |
355 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
9629 |
38.9 |
0.3 |
0.441 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
D |
6 |
3 |
6342 |
x |
D |
x,y,z-1 |
1_554 |
9 |
4 |
6342 |
38.8 |
0.4 |
0.690 |
0 |
0 |
0 |
0.000 |
47 |
53 |
|
[SO4]F:9 |
4 |
1 |
185 |
◊ |
[GGG]A:117 |
-x+1,y,-z+2 |
2_657 |
4 |
1 |
355 |
33.5 |
-3.1 |
0.484 |
0 |
0 |
0 |
0.011 |
48 |
54 |
|
H |
7 |
3 |
6230 |
◊ |
D |
x-1/2,y-1/2,z-1 |
3_444 |
3 |
2 |
6342 |
32.1 |
0.9 |
0.791 |
1 |
1 |
0 |
0.000 |
49 |
55 |
|
[SO4]F:9 |
4 |
1 |
185 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
6 |
2 |
8958 |
31.7 |
-3.8 |
0.791 |
1 |
0 |
0 |
0.015 |
50 |
56 |
|
[GGG]A:117 |
4 |
1 |
355 |
f |
[GGG]A:1 |
x,y,z |
1_555 |
3 |
1 |
366 |
30.0 |
-0.0 |
0.255 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
B |
3 |
2 |
9629 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
8786 |
23.7 |
-0.8 |
0.455 |
0 |
0 |
0 |
0.002 |
52 |
58 |
|
[SO4]F:3 |
3 |
1 |
185 |
◊ |
[SO4]F:2 |
x,y,z |
1_555 |
2 |
1 |
185 |
17.0 |
-3.9 |
0.976 |
0 |
0 |
0 |
0.062 |
53 |
59 |
|
F |
2 |
1 |
9650 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
2 |
9629 |
15.9 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[SO4]F:9 |
1 |
1 |
185 |
f |
[SO4]F:3 |
x,y,z |
1_555 |
3 |
1 |
185 |
15.4 |
-3.7 |
0.891 |
0 |
0 |
0 |
0.057 |
55 |
61 |
|
[SO4]F:9 |
3 |
1 |
185 |
◊ |
[SO4]F:2 |
x,y,z |
1_555 |
2 |
1 |
185 |
15.3 |
-3.5 |
0.976 |
0 |
0 |
0 |
0.056 |
56 |
62 |
|
B |
4 |
2 |
9629 |
◊ |
E |
-x+1,y,-z+2 |
2_657 |
3 |
2 |
8786 |
12.3 |
-0.6 |
0.527 |
0 |
0 |
0 |
0.002 |
57 |
63 |
|
A |
1 |
1 |
8958 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
7440 |
9.2 |
0.3 |
0.812 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
D |
1 |
1 |
6342 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
7440 |
7.3 |
0.4 |
0.836 |
0 |
0 |
0 |
0.000 |
59 |
65 |
|
E |
1 |
1 |
8786 |
◊ |
C |
x-1/2,y-1/2,z-1 |
3_444 |
1 |
1 |
7440 |
7.2 |
0.2 |
0.588 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
F |
2 |
1 |
9650 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8958 |
6.2 |
-0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
H |
3 |
1 |
6230 |
◊ |
[SO4]D:4 |
x-1/2,y-1/2,z-1 |
3_444 |
1 |
1 |
186 |
5.9 |
-0.7 |
0.695 |
0 |
0 |
0 |
0.000 |
62 |
68 |
|
[GGG]E:1 |
1 |
1 |
367 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
7547 |
4.8 |
-0.0 |
0.401 |
0 |
0 |
0 |
0.000 |
63 |
69 |
|
G |
1 |
1 |
7547 |
◊ |
C |
x-1/2,y-1/2,z-1 |
3_444 |
1 |
1 |
7440 |
4.3 |
0.2 |
0.801 |
0 |
0 |
0 |
0.000 |
64 |
70 |
|
[SO4]C:84 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9629 |
2.7 |
-0.4 |
0.720 |
0 |
0 |
0 |
0.007 |
65 |
71 |
|
[SO4]F:9 |
2 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8786 |
2.7 |
-0.2 |
0.880 |
0 |
0 |
0 |
0.002 |
66 |
72 |
|
D |
2 |
1 |
6342 |
◊ |
[SO4]C:84 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
1.8 |
-0.2 |
0.808 |
0 |
0 |
0 |
0.000 |
67 |
73 |
|
E |
1 |
1 |
8786 |
◊ |
C |
x-1/2,y-1/2,z-2 |
3_443 |
1 |
1 |
7440 |
1.2 |
0.0 |
0.669 |
0 |
0 |
0 |
0.000 |
|