## |
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 |
|
C |
82 |
21 |
6738 |
◊ |
C |
y,x,-z |
7_555 |
82 |
22 |
6738 |
780.7 |
-5.8 |
0.363 |
5 |
8 |
0 |
0.015 |
2 |
|
B |
76 |
21 |
6540 |
◊ |
D |
-y-1/2,x-1/2,z-1/4 |
3_444 |
75 |
21 |
6653 |
730.0 |
-8.4 |
0.202 |
5 |
0 |
0 |
0.015 |
3 |
|
A |
76 |
22 |
6637 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
76 |
22 |
6637 |
709.1 |
-8.1 |
0.215 |
3 |
0 |
0 |
0.015 |
Average: |
739.9 |
-7.5 |
0.260 |
4 |
3 |
0 |
0.015 |
2 |
4 |
|
E |
50 |
8 |
1249 |
◊ |
D |
x,y,z |
1_555 |
68 |
21 |
6653 |
547.3 |
-2.5 |
0.727 |
4 |
1 |
0 |
0.036 |
5 |
|
F |
50 |
8 |
1235 |
◊ |
C |
x,y,z |
1_555 |
70 |
22 |
6738 |
541.7 |
-2.2 |
0.700 |
5 |
0 |
0 |
0.036 |
Average: |
544.5 |
-2.3 |
0.713 |
5 |
1 |
0 |
0.036 |
3 |
6 |
|
H |
52 |
8 |
1222 |
◊ |
A |
x,y,z |
1_555 |
60 |
20 |
6637 |
513.2 |
-3.6 |
0.592 |
5 |
0 |
0 |
0.078 |
7 |
|
G |
50 |
8 |
1216 |
◊ |
B |
x,y,z |
1_555 |
60 |
20 |
6540 |
501.8 |
-3.7 |
0.584 |
4 |
0 |
0 |
0.078 |
Average: |
507.5 |
-3.7 |
0.588 |
5 |
0 |
0 |
0.078 |
4 |
8 |
|
D |
36 |
12 |
6653 |
◊ |
A |
-x+1/2,y-1/2,-z-1/4 |
5_544 |
38 |
14 |
6637 |
361.1 |
-2.2 |
0.460 |
3 |
0 |
0 |
0.000 |
9 |
|
B |
39 |
13 |
6540 |
◊ |
C |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
36 |
12 |
6738 |
351.7 |
-2.1 |
0.469 |
3 |
0 |
0 |
0.000 |
Average: |
356.4 |
-2.2 |
0.465 |
3 |
0 |
0 |
0.000 |
5 |
10 |
|
D |
23 |
5 |
6653 |
◊ |
C |
y,x,-z |
7_555 |
34 |
11 |
6738 |
270.7 |
-3.7 |
0.174 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
B |
22 |
6 |
6540 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
26 |
11 |
6637 |
266.6 |
-3.0 |
0.232 |
2 |
2 |
0 |
0.000 |
12 |
|
A |
21 |
5 |
6637 |
◊ |
D |
-y-1/2,x-1/2,z-1/4 |
3_444 |
28 |
11 |
6653 |
247.3 |
-2.8 |
0.243 |
2 |
1 |
0 |
0.000 |
Average: |
256.9 |
-2.9 |
0.237 |
2 |
2 |
0 |
0.000 |
7 |
13 |
|
B |
30 |
11 |
6540 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
21 |
5 |
6738 |
264.6 |
-3.5 |
0.210 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
D |
24 |
9 |
6653 |
◊ |
C |
x,y,z |
1_555 |
23 |
9 |
6738 |
210.5 |
3.4 |
0.895 |
0 |
6 |
0 |
0.000 |
9 |
15 |
|
H |
18 |
6 |
1222 |
◊ |
E |
x,y,z |
1_555 |
17 |
6 |
1249 |
162.6 |
-0.8 |
0.704 |
2 |
0 |
0 |
0.011 |
16 |
|
G |
15 |
6 |
1216 |
◊ |
F |
x,y,z |
1_555 |
18 |
6 |
1235 |
153.4 |
-0.2 |
0.750 |
2 |
0 |
0 |
0.011 |
Average: |
158.0 |
-0.5 |
0.727 |
2 |
0 |
0 |
0.011 |
10 |
17 |
|
D |
14 |
6 |
6653 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
6540 |
135.2 |
0.4 |
0.692 |
0 |
0 |
0 |
0.000 |
18 |
|
C |
16 |
6 |
6738 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
6637 |
131.3 |
-0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
Average: |
133.2 |
0.2 |
0.644 |
0 |
0 |
0 |
0.001 |
11 |
19 |
|
C |
14 |
4 |
6738 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
6540 |
128.4 |
0.6 |
0.695 |
0 |
1 |
0 |
0.000 |
20 |
|
D |
14 |
4 |
6653 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
6637 |
119.8 |
0.4 |
0.671 |
0 |
1 |
0 |
0.000 |
Average: |
124.1 |
0.5 |
0.683 |
0 |
1 |
0 |
0.000 |
12 |
21 |
|
[SO4]A:902 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
6637 |
103.0 |
-17.2 |
0.690 |
1 |
0 |
0 |
0.304 |
13 |
22 |
|
B |
23 |
7 |
6540 |
f |
[SO4]C:904 |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
5 |
1 |
185 |
95.5 |
-15.6 |
0.678 |
1 |
0 |
0 |
0.287 |
14 |
23 |
|
[SO4]D:903 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
6653 |
84.8 |
-11.9 |
0.807 |
1 |
0 |
0 |
0.134 |
15 |
24 |
|
[SO4]A:901 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6637 |
83.2 |
-11.2 |
0.827 |
2 |
0 |
0 |
0.210 |
16 |
25 |
|
[SO4]C:903 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
6738 |
82.6 |
-12.2 |
0.782 |
1 |
0 |
0 |
0.141 |
17 |
26 |
|
[SO4]B:901 |
5 |
1 |
185 |
cf |
B |
x,y,z |
1_555 |
9 |
4 |
6540 |
81.5 |
-11.3 |
0.817 |
1 |
0 |
0 |
0.210 |
18 |
27 |
|
E |
9 |
5 |
1249 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
6637 |
79.7 |
1.0 |
0.799 |
1 |
3 |
0 |
0.000 |
28 |
|
F |
9 |
5 |
1235 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
6540 |
75.6 |
1.3 |
0.808 |
2 |
3 |
0 |
0.000 |
Average: |
77.7 |
1.2 |
0.804 |
2 |
3 |
0 |
0.000 |
19 |
29 |
|
[SO4]C:902 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
6738 |
75.7 |
-9.8 |
0.803 |
1 |
0 |
0 |
0.114 |
20 |
30 |
|
[SO4]D:902 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
6653 |
75.6 |
-9.6 |
0.808 |
1 |
0 |
0 |
0.109 |
21 |
31 |
|
[SO4]D:901 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
6637 |
75.2 |
-10.7 |
0.593 |
1 |
0 |
0 |
0.193 |
22 |
32 |
|
F |
16 |
4 |
1235 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
6653 |
73.2 |
-0.3 |
0.700 |
1 |
0 |
0 |
0.005 |
33 |
|
E |
15 |
4 |
1249 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
6738 |
70.9 |
-0.2 |
0.711 |
1 |
0 |
0 |
0.005 |
Average: |
72.1 |
-0.2 |
0.705 |
1 |
0 |
0 |
0.005 |
23 |
34 |
|
[SO4]C:901 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
6540 |
72.4 |
-10.1 |
0.683 |
1 |
0 |
0 |
0.189 |
24 |
35 |
|
[SO4]H:201 |
5 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
11 |
3 |
1216 |
65.0 |
-9.1 |
0.705 |
0 |
0 |
0 |
0.256 |
25 |
36 |
|
[SO4]G:201 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
11 |
3 |
1222 |
64.2 |
-8.8 |
0.707 |
0 |
0 |
0 |
0.248 |
26 |
37 |
|
H |
8 |
3 |
1222 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
6540 |
63.9 |
0.4 |
0.680 |
0 |
0 |
0 |
0.000 |
38 |
|
G |
9 |
3 |
1216 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6637 |
63.6 |
0.4 |
0.686 |
0 |
0 |
0 |
0.000 |
Average: |
63.7 |
0.4 |
0.683 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[SO4]C:901 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
6738 |
61.5 |
-7.2 |
0.850 |
0 |
0 |
0 |
0.081 |
28 |
40 |
|
[SO4]D:901 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
6653 |
59.5 |
-7.0 |
0.859 |
0 |
0 |
0 |
0.076 |
29 |
41 |
|
G |
6 |
2 |
1216 |
◊ |
C |
x,y,z |
1_555 |
8 |
6 |
6738 |
58.6 |
0.5 |
0.720 |
0 |
0 |
0 |
0.000 |
42 |
|
H |
6 |
2 |
1222 |
◊ |
D |
x,y,z |
1_555 |
8 |
6 |
6653 |
50.0 |
0.5 |
0.727 |
0 |
0 |
0 |
0.000 |
Average: |
54.3 |
0.5 |
0.723 |
0 |
0 |
0 |
0.000 |
30 |
43 |
|
[SO4]H:201 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
1222 |
54.2 |
-6.1 |
0.821 |
0 |
0 |
0 |
0.171 |
31 |
44 |
|
H |
6 |
3 |
1222 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
1216 |
52.7 |
-1.0 |
0.424 |
0 |
0 |
0 |
0.029 |
32 |
45 |
|
[SO4]G:201 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
1216 |
52.5 |
-5.6 |
0.844 |
0 |
0 |
0 |
0.156 |
33 |
46 |
|
[SO4]D:902 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
1216 |
44.4 |
-4.4 |
0.937 |
1 |
0 |
0 |
0.053 |
34 |
47 |
|
[SO4]B:901 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
1222 |
41.6 |
-4.9 |
0.846 |
1 |
0 |
0 |
0.095 |
35 |
48 |
|
[SO4]C:902 |
3 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
1222 |
40.7 |
-3.8 |
0.940 |
1 |
0 |
0 |
0.048 |
36 |
49 |
|
[SO4]A:901 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
6738 |
40.5 |
-5.1 |
0.634 |
0 |
0 |
0 |
0.055 |
37 |
50 |
|
[SO4]A:901 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
1216 |
35.3 |
-4.3 |
0.844 |
1 |
0 |
0 |
0.081 |
38 |
51 |
|
[SO4]B:901 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
6653 |
32.6 |
-4.1 |
0.474 |
0 |
0 |
0 |
0.018 |
39 |
52 |
|
[SO4]C:904 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6738 |
32.5 |
-3.3 |
0.918 |
1 |
0 |
0 |
0.000 |
40 |
53 |
|
[SO4]G:201 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
6540 |
29.6 |
-3.7 |
0.702 |
0 |
0 |
0 |
0.067 |
41 |
54 |
|
[SO4]H:201 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6637 |
29.4 |
-3.5 |
0.694 |
0 |
0 |
0 |
0.061 |
42 |
55 |
|
[SO4]C:902 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6637 |
28.2 |
-2.8 |
0.942 |
1 |
0 |
0 |
0.035 |
43 |
56 |
|
D |
4 |
1 |
6653 |
◊ |
[SO4]A:902 |
-x+1/2,y-1/2,-z-1/4 |
5_544 |
3 |
1 |
185 |
26.9 |
-3.0 |
0.904 |
0 |
0 |
0 |
0.000 |
44 |
57 |
|
[SO4]D:902 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6540 |
25.0 |
-2.4 |
0.927 |
0 |
0 |
0 |
0.010 |
45 |
58 |
|
[SO4]H:201 |
4 |
1 |
184 |
◊ |
[SO4]G:201 |
x,y,z |
1_555 |
3 |
1 |
185 |
21.4 |
-4.9 |
0.995 |
0 |
0 |
0 |
0.139 |
46 |
59 |
|
G |
1 |
1 |
1216 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
6653 |
18.3 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
60 |
|
H |
2 |
1 |
1222 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6738 |
16.1 |
0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
Average: |
17.2 |
0.1 |
0.621 |
0 |
0 |
0 |
0.000 |
47 |
61 |
|
[SO4]C:901 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
1235 |
18.1 |
-1.9 |
0.720 |
0 |
0 |
0 |
0.008 |
48 |
62 |
|
[SO4]D:901 |
3 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
1249 |
18.0 |
-1.9 |
0.741 |
0 |
0 |
0 |
0.008 |
49 |
63 |
|
[SO4]C:904 |
2 |
1 |
185 |
◊ |
C |
y,x,-z |
7_555 |
2 |
2 |
6738 |
15.9 |
-1.5 |
0.892 |
0 |
0 |
0 |
0.000 |
50 |
64 |
|
[SO4]C:901 |
3 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
1216 |
15.3 |
-1.3 |
0.940 |
0 |
0 |
0 |
0.009 |
51 |
65 |
|
[SO4]D:901 |
2 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
1222 |
11.8 |
-1.1 |
0.894 |
0 |
0 |
0 |
0.012 |
52 |
66 |
|
[SO4]D:902 |
2 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
1222 |
11.0 |
-1.5 |
0.689 |
0 |
0 |
0 |
0.007 |
53 |
67 |
|
[SO4]C:902 |
2 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
1216 |
10.9 |
-1.6 |
0.740 |
0 |
0 |
0 |
0.007 |
54 |
68 |
|
[SO4]H:201 |
2 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
1235 |
7.5 |
-0.7 |
0.842 |
0 |
0 |
0 |
0.003 |
55 |
69 |
|
[SO4]G:201 |
2 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
1249 |
6.7 |
-0.6 |
0.844 |
0 |
0 |
0 |
0.003 |
56 |
70 |
|
[SO4]B:901 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
6637 |
4.8 |
-0.5 |
0.717 |
0 |
0 |
0 |
0.004 |
57 |
71 |
|
[SO4]G:201 |
1 |
1 |
185 |
◊ |
[SO4]D:902 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.1 |
-1.0 |
0.800 |
0 |
0 |
0 |
0.004 |
58 |
72 |
|
[SO4]A:901 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6540 |
4.0 |
-0.5 |
0.776 |
0 |
0 |
0 |
0.003 |
59 |
73 |
|
[SO4]C:902 |
1 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
1235 |
3.7 |
-0.5 |
0.777 |
0 |
0 |
0 |
0.002 |
60 |
74 |
|
[SO4]A:902 |
2 |
1 |
185 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
1 |
1 |
6540 |
3.6 |
-0.5 |
0.640 |
0 |
0 |
0 |
0.000 |
61 |
75 |
|
B |
2 |
2 |
6540 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
6637 |
3.6 |
-0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
62 |
76 |
|
[SO4]D:902 |
1 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
1249 |
0.2 |
-0.0 |
0.788 |
0 |
0 |
0 |
0.000 |
|