## |
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 |
248 |
60 |
9634 |
◊ |
A |
x,y,z |
1_555 |
255 |
59 |
10313 |
2716.0 |
-46.4 |
0.011 |
13 |
5 |
0 |
0.661 |
2 |
|
D |
261 |
61 |
9729 |
◊ |
C |
x,y,z |
1_555 |
256 |
55 |
9856 |
2705.0 |
-43.0 |
0.014 |
10 |
3 |
0 |
0.661 |
3 |
|
F |
254 |
60 |
9927 |
◊ |
E |
x,y,z |
1_555 |
251 |
55 |
9425 |
2609.3 |
-48.9 |
0.002 |
14 |
2 |
0 |
0.661 |
4 |
|
H |
254 |
56 |
9854 |
◊ |
G |
x,y,z |
1_555 |
247 |
57 |
9340 |
2582.7 |
-45.0 |
0.005 |
11 |
4 |
0 |
0.661 |
Average: |
2653.2 |
-45.8 |
0.008 |
12 |
4 |
0 |
0.661 |
2 |
5 |
|
H |
55 |
14 |
9854 |
◊ |
F |
x,y,z |
1_555 |
44 |
12 |
9927 |
451.7 |
4.6 |
0.912 |
4 |
1 |
0 |
0.000 |
3 |
6 |
|
A |
42 |
12 |
10313 |
◊ |
B |
x-1,y,z-1 |
1_454 |
40 |
13 |
9634 |
357.3 |
-0.6 |
0.715 |
2 |
3 |
0 |
0.000 |
7 |
|
D |
37 |
10 |
9729 |
◊ |
C |
x,y,z-1 |
1_554 |
38 |
11 |
9856 |
337.8 |
-1.2 |
0.616 |
5 |
2 |
0 |
0.000 |
Average: |
347.6 |
-0.9 |
0.666 |
4 |
3 |
0 |
0.000 |
4 |
8 |
|
F |
45 |
10 |
9927 |
◊ |
A |
x-1,y,z |
1_455 |
28 |
7 |
10313 |
315.6 |
-3.8 |
0.361 |
4 |
5 |
0 |
0.000 |
5 |
9 |
|
A |
34 |
9 |
10313 |
◊ |
C |
x,y,z-1 |
1_554 |
27 |
7 |
9856 |
276.5 |
1.3 |
0.782 |
3 |
2 |
0 |
0.000 |
6 |
10 |
|
C |
33 |
10 |
9856 |
◊ |
D |
x-1,y,z |
1_455 |
33 |
9 |
9729 |
275.9 |
-0.2 |
0.647 |
2 |
1 |
0 |
0.000 |
11 |
|
E |
29 |
7 |
9425 |
◊ |
F |
x-1,y,z |
1_455 |
25 |
7 |
9927 |
232.1 |
-0.7 |
0.624 |
3 |
2 |
0 |
0.000 |
Average: |
254.0 |
-0.5 |
0.635 |
3 |
2 |
0 |
0.000 |
7 |
12 |
|
H |
29 |
10 |
9854 |
◊ |
E |
x,y,z-1 |
1_554 |
36 |
10 |
9425 |
274.3 |
0.8 |
0.735 |
2 |
3 |
0 |
0.000 |
8 |
13 |
|
D |
28 |
6 |
9729 |
◊ |
G |
-x-2,y-1/2,-z-1 |
2_344 |
32 |
9 |
9340 |
265.0 |
-1.7 |
0.555 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
F |
29 |
6 |
9927 |
◊ |
E |
x,y,z-1 |
1_554 |
25 |
5 |
9425 |
257.8 |
0.9 |
0.712 |
2 |
2 |
0 |
0.000 |
10 |
15 |
|
A |
26 |
8 |
10313 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
9 |
9634 |
238.7 |
1.5 |
0.831 |
2 |
2 |
0 |
0.000 |
11 |
16 |
|
D |
21 |
6 |
9729 |
x |
D |
x-1,y,z |
1_455 |
24 |
8 |
9729 |
215.2 |
0.9 |
0.724 |
3 |
3 |
0 |
0.000 |
17 |
|
F |
17 |
4 |
9927 |
x |
F |
x-1,y,z |
1_455 |
23 |
8 |
9927 |
180.7 |
-1.0 |
0.560 |
3 |
2 |
0 |
0.000 |
Average: |
198.0 |
-0.0 |
0.642 |
3 |
3 |
0 |
0.000 |
12 |
18 |
|
F |
26 |
7 |
9927 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
10313 |
202.3 |
-0.3 |
0.686 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
F |
23 |
8 |
9927 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
8 |
9634 |
191.5 |
0.1 |
0.699 |
2 |
0 |
0 |
0.000 |
14 |
20 |
|
C |
16 |
5 |
9856 |
◊ |
G |
-x-2,y-1/2,-z |
2_345 |
24 |
7 |
9340 |
191.3 |
1.2 |
0.723 |
2 |
3 |
0 |
0.000 |
15 |
21 |
|
D |
18 |
5 |
9729 |
◊ |
G |
-x-2,y-1/2,-z |
2_345 |
20 |
4 |
9340 |
159.2 |
1.7 |
0.803 |
3 |
1 |
0 |
0.000 |
16 |
22 |
|
E |
21 |
5 |
9425 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
4 |
10313 |
158.0 |
-1.7 |
0.402 |
0 |
2 |
0 |
0.000 |
17 |
23 |
|
G |
17 |
7 |
9340 |
◊ |
E |
x,y,z-1 |
1_554 |
20 |
5 |
9425 |
148.1 |
1.1 |
0.758 |
1 |
2 |
0 |
0.000 |
18 |
24 |
|
B |
14 |
3 |
9634 |
◊ |
F |
x,y,z-1 |
1_554 |
18 |
4 |
9927 |
133.0 |
-1.1 |
0.523 |
2 |
0 |
0 |
0.000 |
19 |
25 |
|
A |
16 |
4 |
10313 |
◊ |
F |
x,y,z-1 |
1_554 |
17 |
7 |
9927 |
124.8 |
-1.6 |
0.482 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
H |
14 |
4 |
9854 |
◊ |
F |
x,y,z-1 |
1_554 |
10 |
3 |
9927 |
124.7 |
-2.1 |
0.171 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
F |
10 |
3 |
9927 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
9634 |
101.3 |
0.4 |
0.718 |
1 |
1 |
0 |
0.000 |
22 |
28 |
|
[SO4]A:157 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
10313 |
93.9 |
-13.2 |
0.847 |
7 |
0 |
0 |
0.161 |
23 |
29 |
|
[SO4]B:157 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9634 |
92.8 |
-12.9 |
0.840 |
3 |
0 |
0 |
0.141 |
24 |
30 |
|
[SO4]G:159 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
13 |
7 |
9340 |
92.7 |
-14.6 |
0.819 |
4 |
0 |
0 |
0.215 |
25 |
31 |
|
[SO4]E:157 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
9425 |
92.4 |
-13.4 |
0.837 |
6 |
0 |
0 |
0.151 |
26 |
32 |
|
[SO4]D:157 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
9729 |
90.6 |
-12.9 |
0.838 |
6 |
0 |
0 |
0.154 |
27 |
33 |
|
[SO4]C:157 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
9856 |
87.4 |
-12.3 |
0.809 |
4 |
0 |
0 |
0.139 |
28 |
34 |
|
[SO4]C:158 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
9856 |
85.1 |
-11.5 |
0.846 |
5 |
0 |
0 |
0.135 |
29 |
35 |
|
D |
6 |
3 |
9729 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
10313 |
84.4 |
0.5 |
0.749 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[SO4]G:158 |
5 |
1 |
185 |
f |
E |
x,y,z-1 |
1_554 |
12 |
4 |
9425 |
79.5 |
-11.4 |
0.740 |
3 |
0 |
0 |
0.120 |
31 |
37 |
|
[SO4]F:158 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
9927 |
78.6 |
-10.4 |
0.837 |
4 |
0 |
0 |
0.115 |
32 |
38 |
|
[SO4]F:158 |
5 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
9854 |
74.4 |
-9.7 |
0.846 |
2 |
0 |
0 |
0.055 |
33 |
39 |
|
[SO4]G:158 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
9340 |
67.1 |
-7.7 |
0.940 |
2 |
0 |
0 |
0.000 |
34 |
40 |
|
[SO4]A:159 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10313 |
66.2 |
-9.3 |
0.782 |
2 |
0 |
0 |
0.101 |
35 |
41 |
|
[SO4]F:157 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
9927 |
65.7 |
-9.2 |
0.666 |
1 |
0 |
0 |
0.091 |
36 |
42 |
|
[SO4]D:158 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
9729 |
61.4 |
-6.9 |
0.921 |
3 |
0 |
0 |
0.081 |
37 |
43 |
|
[SO4]D:158 |
4 |
1 |
185 |
◊ |
G |
-x-2,y-1/2,-z |
2_345 |
9 |
3 |
9340 |
56.5 |
-6.5 |
0.883 |
1 |
0 |
0 |
0.000 |
38 |
44 |
|
D |
6 |
2 |
9729 |
◊ |
H |
-x-2,y-1/2,-z |
2_345 |
5 |
1 |
9854 |
53.1 |
1.0 |
0.814 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[SO4]A:159 |
4 |
1 |
185 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
9634 |
52.2 |
-6.5 |
0.809 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[SO4]A:158 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
10313 |
51.7 |
-6.1 |
0.825 |
2 |
0 |
0 |
0.069 |
41 |
47 |
|
C |
3 |
2 |
9856 |
◊ |
G |
-x-2,y-1/2,-z-1 |
2_344 |
4 |
2 |
9340 |
51.1 |
1.0 |
0.675 |
1 |
1 |
0 |
0.000 |
42 |
48 |
|
[SO4]F:157 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
9854 |
47.1 |
-4.9 |
0.943 |
2 |
0 |
0 |
0.030 |
43 |
49 |
|
G |
4 |
2 |
9340 |
◊ |
E |
x-1,y,z-1 |
1_454 |
8 |
3 |
9425 |
46.7 |
0.5 |
0.746 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
C |
6 |
1 |
9856 |
◊ |
H |
-x-2,y-1/2,-z |
2_345 |
5 |
2 |
9854 |
42.6 |
0.8 |
0.784 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
G |
7 |
3 |
9340 |
◊ |
H |
x,y,z-1 |
1_554 |
7 |
3 |
9854 |
40.9 |
0.2 |
0.659 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
[SO4]A:158 |
4 |
1 |
185 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
2 |
9856 |
40.2 |
-3.1 |
0.970 |
1 |
0 |
0 |
0.000 |
47 |
53 |
|
[SO4]D:158 |
4 |
1 |
185 |
◊ |
H |
-x-2,y-1/2,-z |
2_345 |
6 |
3 |
9854 |
38.3 |
-3.8 |
0.884 |
2 |
0 |
0 |
0.000 |
48 |
54 |
|
[SO4]G:157 |
3 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
9854 |
35.3 |
-4.0 |
0.805 |
1 |
0 |
0 |
0.059 |
49 |
55 |
|
[SO4]G:157 |
4 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
4 |
3 |
9340 |
33.5 |
-4.5 |
0.787 |
1 |
0 |
0 |
0.065 |
50 |
56 |
|
D |
7 |
2 |
9729 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
9634 |
31.4 |
-0.3 |
0.573 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
[SO4]G:159 |
4 |
1 |
185 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
1 |
9425 |
28.1 |
-2.7 |
0.905 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
H |
4 |
2 |
9854 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
9425 |
25.5 |
1.3 |
0.892 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
G |
4 |
2 |
9340 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
1 |
9854 |
20.9 |
0.9 |
0.834 |
1 |
0 |
0 |
0.000 |
54 |
60 |
|
[SO4]D:158 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9856 |
18.9 |
-1.8 |
0.859 |
0 |
0 |
0 |
0.018 |
55 |
61 |
|
A |
4 |
2 |
10313 |
x |
A |
x-1,y,z |
1_455 |
4 |
1 |
10313 |
18.1 |
0.3 |
0.697 |
0 |
0 |
0 |
0.000 |
56 |
62 |
|
F |
4 |
2 |
9927 |
x |
F |
x,y,z-1 |
1_554 |
2 |
2 |
9927 |
16.9 |
0.2 |
0.688 |
0 |
0 |
0 |
0.000 |
57 |
63 |
|
A |
3 |
2 |
10313 |
◊ |
E |
x,y,z-1 |
1_554 |
3 |
2 |
9425 |
15.9 |
0.5 |
0.807 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
D |
1 |
1 |
9729 |
◊ |
[SO4]C:158 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
12.3 |
-1.3 |
0.833 |
0 |
0 |
0 |
0.000 |
59 |
65 |
|
A |
2 |
1 |
10313 |
◊ |
[SO4]C:157 |
x,y,z-1 |
1_554 |
3 |
1 |
185 |
11.8 |
-0.8 |
0.939 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
[SO4]G:159 |
2 |
1 |
185 |
◊ |
[SO4]G:158 |
x,y,z |
1_555 |
1 |
1 |
185 |
10.9 |
-2.6 |
0.876 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
E |
1 |
1 |
9425 |
◊ |
B |
x-1,y,z+1 |
1_456 |
2 |
1 |
9634 |
8.7 |
-0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
62 |
68 |
|
H |
1 |
1 |
9854 |
x |
H |
x-1,y,z |
1_455 |
2 |
1 |
9854 |
8.0 |
0.2 |
0.702 |
0 |
0 |
0 |
0.000 |
63 |
69 |
|
[SO4]A:159 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9634 |
4.1 |
-0.5 |
0.663 |
0 |
0 |
0 |
0.005 |
64 |
70 |
|
C |
1 |
1 |
9856 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
9634 |
1.1 |
0.0 |
0.735 |
0 |
0 |
0 |
0.000 |
65 |
71 |
|
H |
1 |
1 |
9854 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
9634 |
0.7 |
-0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
|