## |
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 |
190 |
46 |
13984 |
◊ |
F |
x,y,z |
1_555 |
189 |
47 |
14154 |
1840.6 |
-8.5 |
0.415 |
37 |
13 |
0 |
0.309 |
2 |
|
D |
192 |
46 |
14180 |
◊ |
B |
x,y,z |
1_555 |
190 |
46 |
14001 |
1840.3 |
-8.7 |
0.378 |
39 |
10 |
0 |
0.309 |
3 |
|
H |
193 |
47 |
13885 |
◊ |
E |
x,y,z |
1_555 |
190 |
47 |
14129 |
1828.9 |
-8.7 |
0.392 |
38 |
11 |
0 |
0.309 |
4 |
|
C |
191 |
48 |
14246 |
◊ |
A |
x,y,z |
1_555 |
191 |
47 |
14005 |
1823.5 |
-7.9 |
0.421 |
40 |
13 |
0 |
0.309 |
Average: |
1833.3 |
-8.5 |
0.401 |
39 |
12 |
0 |
0.309 |
2 |
5 |
|
H |
130 |
34 |
13885 |
◊ |
G |
x,y,z |
1_555 |
130 |
34 |
13984 |
1262.9 |
-20.5 |
0.008 |
11 |
0 |
0 |
0.571 |
6 |
|
D |
128 |
33 |
14180 |
◊ |
C |
x,y,z |
1_555 |
126 |
33 |
14246 |
1231.9 |
-19.3 |
0.012 |
8 |
0 |
0 |
0.571 |
7 |
|
B |
129 |
34 |
14001 |
◊ |
A |
x,y,z |
1_555 |
127 |
33 |
14005 |
1208.7 |
-19.1 |
0.013 |
9 |
0 |
0 |
0.571 |
8 |
|
F |
124 |
32 |
14154 |
◊ |
E |
x,y,z |
1_555 |
131 |
33 |
14129 |
1192.3 |
-20.5 |
0.008 |
5 |
0 |
0 |
0.571 |
Average: |
1224.0 |
-19.8 |
0.010 |
8 |
0 |
0 |
0.571 |
3 |
9 |
|
F |
61 |
21 |
14154 |
◊ |
G |
x-1,y,z |
1_455 |
71 |
25 |
13984 |
566.6 |
-3.3 |
0.371 |
7 |
1 |
0 |
0.000 |
4 |
10 |
|
E |
51 |
15 |
14129 |
◊ |
B |
x,y,z |
1_555 |
62 |
13 |
14001 |
526.8 |
2.7 |
0.822 |
10 |
1 |
0 |
0.000 |
11 |
|
G |
53 |
12 |
13984 |
◊ |
C |
x,y,z-1 |
1_554 |
51 |
15 |
14246 |
506.2 |
3.7 |
0.880 |
13 |
1 |
0 |
0.000 |
12 |
|
H |
53 |
12 |
13885 |
◊ |
D |
x,y-1,z |
1_545 |
53 |
16 |
14180 |
495.8 |
2.8 |
0.847 |
12 |
1 |
0 |
0.000 |
13 |
|
F |
50 |
16 |
14154 |
◊ |
A |
x,y-1,z-1 |
1_544 |
56 |
12 |
14005 |
484.7 |
2.2 |
0.811 |
11 |
1 |
0 |
0.000 |
Average: |
503.4 |
2.8 |
0.840 |
12 |
1 |
0 |
0.000 |
5 |
14 |
|
E |
41 |
14 |
14129 |
◊ |
D |
x-1,y,z |
1_455 |
46 |
14 |
14180 |
372.7 |
2.4 |
0.818 |
2 |
0 |
0 |
0.000 |
6 |
15 |
|
B |
25 |
7 |
14001 |
◊ |
C |
x-1,y,z |
1_455 |
28 |
8 |
14246 |
236.5 |
-4.0 |
0.135 |
0 |
0 |
0 |
0.000 |
7 |
16 |
|
B |
23 |
9 |
14001 |
◊ |
A |
x,y-1,z |
1_545 |
23 |
9 |
14005 |
192.9 |
1.4 |
0.786 |
0 |
0 |
0 |
0.000 |
17 |
|
H |
22 |
9 |
13885 |
◊ |
G |
x,y-1,z |
1_545 |
19 |
8 |
13984 |
179.5 |
1.4 |
0.800 |
0 |
0 |
0 |
0.000 |
Average: |
186.2 |
1.4 |
0.793 |
0 |
0 |
0 |
0.000 |
8 |
18 |
|
B |
22 |
9 |
14001 |
◊ |
D |
x-1,y,z |
1_455 |
26 |
9 |
14180 |
177.7 |
0.0 |
0.560 |
1 |
0 |
0 |
0.000 |
9 |
19 |
|
[SO4]H:6101 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
16 |
8 |
13885 |
105.7 |
-15.4 |
0.898 |
8 |
0 |
0 |
0.239 |
10 |
20 |
|
[SO4]F:4700 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
14154 |
77.5 |
-10.8 |
0.757 |
3 |
0 |
0 |
0.121 |
11 |
21 |
|
[SO4]H:3604 |
5 |
1 |
181 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
14129 |
76.6 |
-10.0 |
0.772 |
2 |
0 |
0 |
0.429 |
22 |
|
[SO4]B:3603 |
5 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
14180 |
76.1 |
-9.8 |
0.788 |
3 |
0 |
0 |
0.429 |
23 |
|
[SO4]A:3602 |
5 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
14246 |
69.0 |
-8.7 |
0.805 |
2 |
0 |
0 |
0.429 |
24 |
|
[SO4]E:3607 |
5 |
1 |
181 |
f |
H |
x,y,z |
1_555 |
16 |
7 |
13885 |
68.8 |
-8.6 |
0.817 |
2 |
0 |
0 |
0.429 |
25 |
|
[SO4]D:3601 |
5 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14001 |
68.6 |
-7.9 |
0.914 |
2 |
0 |
0 |
0.429 |
26 |
|
[SO4]C:3600 |
5 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14005 |
67.6 |
-7.6 |
0.913 |
2 |
0 |
0 |
0.429 |
27 |
|
[SO4]F:3606 |
5 |
1 |
181 |
f |
G |
x,y,z |
1_555 |
15 |
7 |
13984 |
67.2 |
-8.5 |
0.816 |
3 |
0 |
0 |
0.429 |
28 |
|
[SO4]G:3605 |
5 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
14154 |
65.9 |
-8.4 |
0.818 |
2 |
0 |
0 |
0.429 |
Average: |
70.0 |
-8.7 |
0.830 |
2 |
0 |
0 |
0.429 |
12 |
29 |
|
[SO4]D:3703 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
14180 |
75.0 |
-11.1 |
0.759 |
4 |
0 |
0 |
0.131 |
13 |
30 |
|
[SO4]E:6100 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
14129 |
74.6 |
-11.2 |
0.607 |
1 |
0 |
0 |
0.116 |
14 |
31 |
|
[SO4]C:3702 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
14246 |
74.2 |
-10.3 |
0.753 |
4 |
0 |
0 |
0.135 |
15 |
32 |
|
[SO4]G:3704 |
5 |
1 |
183 |
f |
C |
x,y,z-1 |
1_554 |
11 |
4 |
14246 |
72.8 |
-10.2 |
0.669 |
2 |
0 |
0 |
0.124 |
16 |
33 |
|
[SO4]B:3701 |
5 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
14129 |
68.6 |
-9.2 |
0.658 |
2 |
0 |
0 |
0.101 |
17 |
34 |
|
[SO4]D:3800 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
14180 |
67.7 |
-9.0 |
0.667 |
1 |
0 |
0 |
0.096 |
18 |
35 |
|
[SO4]G:3605 |
4 |
1 |
182 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
13984 |
65.2 |
-9.8 |
0.485 |
3 |
0 |
0 |
0.230 |
36 |
|
[SO4]H:3604 |
4 |
1 |
181 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
13885 |
64.8 |
-9.5 |
0.517 |
3 |
0 |
0 |
0.230 |
37 |
|
[SO4]C:3600 |
4 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
14246 |
64.2 |
-9.6 |
0.527 |
2 |
0 |
0 |
0.230 |
38 |
|
[SO4]D:3601 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
14180 |
63.9 |
-9.5 |
0.518 |
3 |
0 |
0 |
0.230 |
39 |
|
[SO4]B:3603 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
14001 |
63.9 |
-9.5 |
0.512 |
3 |
0 |
0 |
0.230 |
40 |
|
[SO4]E:3607 |
4 |
1 |
181 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
14129 |
63.5 |
-9.4 |
0.512 |
1 |
0 |
0 |
0.230 |
41 |
|
[SO4]A:3602 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
14005 |
63.1 |
-9.2 |
0.512 |
2 |
0 |
0 |
0.230 |
42 |
|
[SO4]F:3606 |
4 |
1 |
181 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
14154 |
62.3 |
-9.1 |
0.504 |
2 |
0 |
0 |
0.230 |
Average: |
63.9 |
-9.5 |
0.511 |
2 |
0 |
0 |
0.230 |
19 |
43 |
|
F |
9 |
3 |
14154 |
f |
[SO4]A:3700 |
x,y-1,z-1 |
1_544 |
4 |
1 |
184 |
63.3 |
-9.1 |
0.615 |
2 |
0 |
0 |
0.100 |
20 |
44 |
|
[SO4]G:4900 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
13885 |
59.1 |
-7.7 |
0.866 |
0 |
0 |
0 |
0.097 |
21 |
45 |
|
[SO4]E:5001 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
14154 |
59.0 |
-6.5 |
0.906 |
1 |
0 |
0 |
0.069 |
22 |
46 |
|
[SO4]G:4900 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
7 |
4 |
13984 |
57.3 |
-6.9 |
0.929 |
2 |
0 |
0 |
0.099 |
23 |
47 |
|
[SO4]G:3704 |
4 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
13984 |
56.3 |
-5.9 |
0.959 |
1 |
0 |
0 |
0.000 |
24 |
48 |
|
[SO4]C:5000 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
14246 |
56.2 |
-6.1 |
0.917 |
1 |
0 |
0 |
0.064 |
25 |
49 |
|
[SO4]C:5000 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
14180 |
55.7 |
-6.2 |
0.953 |
1 |
0 |
0 |
0.068 |
26 |
50 |
|
[SO4]E:5001 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
14129 |
54.3 |
-5.6 |
0.914 |
2 |
0 |
0 |
0.065 |
27 |
51 |
|
H |
6 |
3 |
13885 |
◊ |
[SO4]D:3800 |
x,y-1,z |
1_545 |
3 |
1 |
184 |
53.8 |
-6.8 |
0.876 |
1 |
0 |
0 |
0.000 |
28 |
52 |
|
[SO4]A:3700 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
14005 |
52.2 |
-5.7 |
0.948 |
1 |
0 |
0 |
0.000 |
29 |
53 |
|
A |
9 |
5 |
14005 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
4 |
14246 |
52.2 |
-0.1 |
0.534 |
0 |
0 |
0 |
0.000 |
30 |
54 |
|
[SO4]B:3701 |
5 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14001 |
51.9 |
-5.7 |
0.956 |
1 |
0 |
0 |
0.000 |
31 |
55 |
|
H |
1 |
1 |
13885 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
14154 |
22.1 |
0.5 |
0.846 |
0 |
0 |
0 |
0.000 |
56 |
|
G |
2 |
1 |
13984 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
14129 |
18.2 |
0.6 |
0.857 |
0 |
0 |
0 |
0.000 |
57 |
|
D |
1 |
1 |
14180 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14005 |
17.7 |
0.5 |
0.900 |
0 |
0 |
0 |
0.000 |
58 |
|
C |
1 |
1 |
14246 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14001 |
6.5 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
Average: |
16.1 |
0.4 |
0.812 |
0 |
0 |
0 |
0.000 |
32 |
59 |
|
B |
2 |
2 |
14001 |
◊ |
[SO4]C:5000 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
15.1 |
-1.6 |
0.890 |
0 |
0 |
0 |
0.000 |
33 |
60 |
|
E |
4 |
2 |
14129 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
2 |
13885 |
14.5 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
|