## |
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 |
|
D |
85 |
21 |
5775 |
◊ |
B |
x,y,z |
1_555 |
81 |
21 |
5064 |
846.6 |
-12.5 |
0.294 |
7 |
6 |
0 |
1.000 |
2 |
|
G |
81 |
23 |
5674 |
◊ |
E |
x,y,z |
1_555 |
77 |
21 |
5492 |
844.5 |
-16.1 |
0.103 |
5 |
0 |
0 |
1.000 |
Average: |
845.5 |
-14.3 |
0.198 |
6 |
3 |
0 |
1.000 |
2 |
3 |
|
B |
80 |
19 |
5064 |
◊ |
A |
x,y,z |
1_555 |
84 |
20 |
4886 |
807.1 |
-10.7 |
0.385 |
4 |
2 |
0 |
1.000 |
4 |
|
F |
84 |
20 |
5287 |
◊ |
E |
x,y,z |
1_555 |
80 |
18 |
5492 |
755.8 |
-11.8 |
0.261 |
3 |
2 |
0 |
1.000 |
Average: |
781.5 |
-11.2 |
0.323 |
4 |
2 |
0 |
1.000 |
3 |
5 |
|
D |
67 |
17 |
5775 |
◊ |
C |
x,y,z |
1_555 |
70 |
22 |
5683 |
742.9 |
-13.5 |
0.150 |
6 |
4 |
0 |
0.397 |
4 |
6 |
|
H |
74 |
22 |
5781 |
◊ |
G |
x,y,z |
1_555 |
71 |
18 |
5674 |
732.4 |
-11.9 |
0.138 |
4 |
2 |
0 |
0.319 |
5 |
7 |
|
F |
57 |
14 |
5287 |
◊ |
C |
x,y,z |
1_555 |
67 |
17 |
5683 |
582.6 |
-2.9 |
0.709 |
9 |
3 |
0 |
0.152 |
6 |
8 |
|
A |
55 |
13 |
4886 |
◊ |
H |
x-1,y,z |
1_455 |
69 |
17 |
5781 |
571.7 |
-1.0 |
0.781 |
10 |
5 |
0 |
0.131 |
7 |
9 |
|
H |
44 |
16 |
5781 |
◊ |
E |
x,y,z |
1_555 |
50 |
16 |
5492 |
495.6 |
-7.0 |
0.240 |
2 |
2 |
0 |
0.209 |
10 |
|
C |
43 |
15 |
5683 |
◊ |
B |
x,y,z |
1_555 |
49 |
14 |
5064 |
489.5 |
-7.2 |
0.270 |
1 |
2 |
0 |
0.209 |
Average: |
492.5 |
-7.1 |
0.255 |
2 |
2 |
0 |
0.209 |
8 |
11 |
|
B |
51 |
12 |
5064 |
◊ |
H |
x-1,y,z |
1_455 |
48 |
13 |
5781 |
455.0 |
-1.0 |
0.792 |
10 |
4 |
0 |
0.128 |
9 |
12 |
|
E |
49 |
12 |
5492 |
◊ |
C |
x,y,z |
1_555 |
45 |
13 |
5683 |
423.9 |
-1.3 |
0.752 |
5 |
0 |
0 |
0.073 |
10 |
13 |
|
H |
56 |
13 |
5781 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
49 |
11 |
5775 |
414.3 |
-8.1 |
0.305 |
5 |
1 |
0 |
0.374 |
14 |
|
G |
50 |
11 |
5674 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
52 |
13 |
5683 |
408.8 |
-7.1 |
0.371 |
8 |
2 |
0 |
0.374 |
Average: |
411.5 |
-7.6 |
0.338 |
7 |
2 |
0 |
0.374 |
11 |
15 |
|
H |
33 |
11 |
5781 |
◊ |
F |
x,y,z |
1_555 |
31 |
11 |
5287 |
317.5 |
-7.3 |
0.124 |
0 |
0 |
0 |
0.197 |
12 |
16 |
|
A |
30 |
9 |
4886 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
10 |
5287 |
317.0 |
-4.4 |
0.419 |
1 |
1 |
0 |
0.000 |
13 |
17 |
|
C |
32 |
9 |
5683 |
◊ |
A |
x,y,z |
1_555 |
30 |
11 |
4886 |
300.8 |
-6.6 |
0.209 |
0 |
0 |
0 |
0.152 |
14 |
18 |
|
E |
36 |
8 |
5492 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
28 |
8 |
5775 |
282.2 |
-0.3 |
0.766 |
4 |
3 |
0 |
0.048 |
19 |
|
G |
26 |
7 |
5674 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
29 |
7 |
5064 |
241.5 |
-0.2 |
0.783 |
2 |
3 |
0 |
0.048 |
Average: |
261.9 |
-0.2 |
0.774 |
3 |
3 |
0 |
0.048 |
15 |
20 |
|
F |
23 |
6 |
5287 |
◊ |
D |
x,y,z |
1_555 |
24 |
6 |
5775 |
239.4 |
-4.8 |
0.232 |
0 |
0 |
0 |
0.061 |
16 |
21 |
|
A |
19 |
5 |
4886 |
◊ |
G |
x-1,y,z |
1_455 |
27 |
6 |
5674 |
220.0 |
-3.9 |
0.243 |
1 |
0 |
0 |
0.060 |
17 |
22 |
|
H |
21 |
7 |
5781 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
18 |
6 |
5683 |
196.7 |
0.3 |
0.766 |
4 |
0 |
0 |
0.000 |
18 |
23 |
|
F |
23 |
5 |
5287 |
◊ |
A |
x,y,z |
1_555 |
23 |
5 |
4886 |
183.2 |
-5.6 |
0.177 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
21 |
5 |
4886 |
◊ |
F |
x-1,y,z |
1_455 |
18 |
4 |
5287 |
148.0 |
-4.7 |
0.201 |
0 |
0 |
0 |
0.000 |
Average: |
165.6 |
-5.2 |
0.189 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
H |
21 |
6 |
5781 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
22 |
8 |
5683 |
181.6 |
2.3 |
0.900 |
4 |
8 |
0 |
0.006 |
20 |
26 |
|
G |
16 |
5 |
5674 |
◊ |
F |
x,y,z |
1_555 |
14 |
5 |
5287 |
153.7 |
-3.3 |
0.226 |
1 |
0 |
0 |
0.043 |
27 |
|
D |
12 |
4 |
5775 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
4886 |
123.3 |
-3.5 |
0.207 |
1 |
0 |
0 |
0.043 |
Average: |
138.5 |
-3.4 |
0.216 |
1 |
0 |
0 |
0.043 |
21 |
28 |
|
G |
15 |
6 |
5674 |
◊ |
F |
-x+2,y-1/2,-z+1/2 |
3_745 |
15 |
7 |
5287 |
130.5 |
0.0 |
0.685 |
0 |
1 |
0 |
0.000 |
22 |
29 |
|
A |
17 |
5 |
4886 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
5 |
5775 |
122.8 |
1.1 |
0.837 |
1 |
3 |
0 |
0.000 |
23 |
30 |
|
E |
11 |
4 |
5492 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
7 |
3 |
5064 |
88.3 |
-0.4 |
0.570 |
0 |
0 |
0 |
0.002 |
24 |
31 |
|
[PO4]E:201 |
5 |
1 |
193 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
5492 |
84.4 |
-5.0 |
0.809 |
1 |
0 |
0 |
0.290 |
25 |
32 |
|
G |
6 |
3 |
5674 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
5781 |
82.4 |
0.2 |
0.600 |
1 |
1 |
0 |
0.000 |
26 |
33 |
|
[PO4]C:201 |
5 |
1 |
193 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
5683 |
81.3 |
-5.0 |
0.772 |
1 |
0 |
0 |
0.187 |
27 |
34 |
|
[SO4]H:201 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
10 |
4 |
5781 |
76.6 |
-11.9 |
0.537 |
0 |
0 |
0 |
0.368 |
28 |
35 |
|
[SO4]D:201 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
5683 |
73.2 |
-10.8 |
0.648 |
0 |
0 |
0 |
0.367 |
29 |
36 |
|
D |
8 |
4 |
5775 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
8 |
3 |
5683 |
70.5 |
-0.5 |
0.607 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[SO4]D:201 |
5 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
5775 |
68.9 |
-9.3 |
0.650 |
0 |
0 |
0 |
0.220 |
31 |
38 |
|
[SO4]G:201 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
15 |
5 |
5781 |
68.8 |
-10.1 |
0.701 |
0 |
0 |
0 |
0.310 |
32 |
39 |
|
[SO4]G:201 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
5674 |
59.2 |
-7.8 |
0.630 |
0 |
0 |
0 |
0.179 |
33 |
40 |
|
H |
12 |
3 |
5781 |
◊ |
[PO4]C:201 |
-x+2,y-1/2,-z+1/2 |
3_745 |
4 |
1 |
193 |
57.4 |
-2.9 |
0.840 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[SO4]H:201 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
5287 |
54.2 |
-7.7 |
0.673 |
0 |
0 |
0 |
0.208 |
35 |
42 |
|
[PO4]E:201 |
4 |
1 |
193 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
5683 |
46.0 |
-2.0 |
0.904 |
1 |
0 |
0 |
0.050 |
36 |
43 |
|
G |
5 |
3 |
5674 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
5683 |
42.8 |
0.1 |
0.572 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[PO4]E:201 |
4 |
1 |
193 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
5674 |
41.7 |
-2.0 |
0.823 |
0 |
0 |
0 |
0.076 |
38 |
45 |
|
G |
4 |
1 |
5674 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
5775 |
36.7 |
-1.1 |
0.310 |
0 |
0 |
0 |
0.010 |
39 |
46 |
|
[SO4]G:201 |
4 |
1 |
185 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
5 |
2 |
5683 |
36.5 |
-4.1 |
0.855 |
1 |
0 |
0 |
0.038 |
40 |
47 |
|
G |
4 |
2 |
5674 |
◊ |
H |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
2 |
5781 |
35.6 |
0.6 |
0.803 |
2 |
2 |
0 |
0.000 |
41 |
48 |
|
B |
3 |
2 |
5064 |
◊ |
E |
x-1,y,z |
1_455 |
6 |
3 |
5492 |
34.5 |
-0.3 |
0.477 |
0 |
0 |
0 |
0.000 |
49 |
|
E |
1 |
1 |
5492 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
5064 |
12.2 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
Average: |
23.4 |
-0.2 |
0.460 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
G |
6 |
2 |
5674 |
◊ |
[PO4]C:201 |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
193 |
33.5 |
-2.1 |
0.687 |
0 |
0 |
0 |
0.072 |
43 |
51 |
|
[SO4]H:201 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
5492 |
30.1 |
-3.6 |
0.531 |
0 |
0 |
0 |
0.091 |
44 |
52 |
|
D |
6 |
4 |
5775 |
◊ |
H |
x-1,y,z |
1_455 |
3 |
3 |
5781 |
24.0 |
0.4 |
0.774 |
0 |
0 |
0 |
0.000 |
45 |
53 |
|
H |
4 |
1 |
5781 |
◊ |
[SO4]D:201 |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
184 |
22.0 |
-2.6 |
0.741 |
0 |
0 |
0 |
0.022 |
46 |
54 |
|
B |
3 |
1 |
5064 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
5775 |
20.1 |
0.6 |
0.812 |
0 |
0 |
0 |
0.000 |
47 |
55 |
|
E |
3 |
1 |
5492 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
5064 |
12.6 |
-0.0 |
0.676 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
E |
3 |
2 |
5492 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
3 |
5775 |
8.4 |
0.0 |
0.688 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
A |
2 |
1 |
4886 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
1 |
5492 |
5.3 |
0.2 |
0.763 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
C |
1 |
1 |
5683 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
5775 |
4.4 |
0.2 |
0.758 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
A |
1 |
1 |
4886 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
5683 |
1.7 |
0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
A |
1 |
1 |
4886 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
5775 |
1.7 |
-0.1 |
0.539 |
0 |
0 |
0 |
0.000 |
|