| ## |
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 |
191 |
46 |
7972 |
◊ |
A |
x,y,z |
1_555 |
201 |
42 |
7870 |
2004.8 |
-25.7 |
0.186 |
31 |
2 |
0 |
0.790 |
2 |
|
F |
200 |
45 |
7450 |
◊ |
E |
x,y,z |
1_555 |
192 |
47 |
7944 |
1993.8 |
-26.7 |
0.297 |
31 |
0 |
0 |
0.790 |
| Average: |
1999.3 |
-26.2 |
0.242 |
31 |
1 |
0 |
0.790 |
| 2 |
3 |
|
D |
73 |
19 |
5737 |
◊ |
B |
x,y,z |
1_555 |
63 |
13 |
7972 |
607.7 |
-3.6 |
0.573 |
6 |
1 |
0 |
0.130 |
4 |
|
G |
66 |
19 |
5712 |
◊ |
F |
x,y,z |
1_555 |
51 |
11 |
7450 |
521.0 |
-2.6 |
0.645 |
5 |
0 |
0 |
0.130 |
5 |
|
C |
62 |
16 |
5750 |
◊ |
A |
x,y,z |
1_555 |
56 |
13 |
7870 |
519.1 |
-3.8 |
0.519 |
4 |
0 |
0 |
0.130 |
| Average: |
549.2 |
-3.3 |
0.579 |
5 |
0 |
0 |
0.130 |
| 3 |
6 |
|
G |
53 |
14 |
5712 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
57 |
17 |
5750 |
570.4 |
-6.1 |
0.279 |
6 |
0 |
0 |
0.063 |
| 4 |
7 |
|
H |
61 |
17 |
5841 |
◊ |
E |
x,y,z |
1_555 |
58 |
12 |
7944 |
551.4 |
-2.6 |
0.605 |
6 |
3 |
0 |
0.069 |
| 5 |
8 |
|
A |
49 |
13 |
7870 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
58 |
15 |
7972 |
471.7 |
2.9 |
0.902 |
10 |
5 |
0 |
0.000 |
9 |
|
E |
44 |
14 |
7944 |
◊ |
F |
-x+1/2,y-1/2,-z+2 |
4_547 |
39 |
11 |
7450 |
390.8 |
1.5 |
0.887 |
8 |
2 |
0 |
0.000 |
| Average: |
431.2 |
2.2 |
0.894 |
9 |
4 |
0 |
0.000 |
| 6 |
10 |
|
G |
55 |
16 |
5712 |
◊ |
E |
x,y,z |
1_555 |
45 |
14 |
7944 |
456.4 |
-5.3 |
0.361 |
3 |
1 |
0 |
0.135 |
11 |
|
C |
56 |
15 |
5750 |
◊ |
B |
x,y,z |
1_555 |
49 |
15 |
7972 |
453.1 |
-5.3 |
0.365 |
2 |
2 |
0 |
0.135 |
12 |
|
D |
54 |
14 |
5737 |
◊ |
A |
x,y,z |
1_555 |
46 |
17 |
7870 |
424.9 |
-3.5 |
0.546 |
2 |
2 |
0 |
0.135 |
13 |
|
H |
33 |
10 |
5841 |
◊ |
F |
x,y,z |
1_555 |
32 |
12 |
7450 |
278.0 |
-4.5 |
0.353 |
0 |
0 |
0 |
0.135 |
| Average: |
403.1 |
-4.7 |
0.406 |
2 |
1 |
0 |
0.135 |
| 7 |
14 |
|
E |
37 |
15 |
7944 |
◊ |
E |
-x,y,-z+2 |
2_557 |
37 |
15 |
7944 |
381.4 |
-7.2 |
0.219 |
0 |
0 |
0 |
0.000 |
| 8 |
15 |
|
D |
43 |
16 |
5737 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
39 |
12 |
7870 |
348.1 |
-5.4 |
0.316 |
3 |
0 |
0 |
0.095 |
16 |
|
F |
37 |
12 |
7450 |
◊ |
H |
-x+1/2,y-1/2,-z+2 |
4_547 |
43 |
15 |
5841 |
335.5 |
-4.5 |
0.432 |
0 |
0 |
0 |
0.095 |
| Average: |
341.8 |
-4.9 |
0.374 |
2 |
0 |
0 |
0.095 |
| 9 |
17 |
|
H |
38 |
9 |
5841 |
◊ |
F |
-x+1/2,y-1/2,-z+2 |
4_547 |
35 |
11 |
7450 |
336.5 |
-4.7 |
0.385 |
3 |
0 |
0 |
0.000 |
18 |
|
A |
32 |
11 |
7870 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
34 |
10 |
5737 |
307.7 |
-3.3 |
0.434 |
2 |
0 |
0 |
0.000 |
| Average: |
322.1 |
-4.0 |
0.409 |
3 |
0 |
0 |
0.000 |
| 10 |
19 |
|
C |
33 |
10 |
5750 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
37 |
14 |
7870 |
318.6 |
1.1 |
0.769 |
6 |
3 |
0 |
0.021 |
| 11 |
20 |
|
E |
35 |
9 |
7944 |
◊ |
H |
-x+1/2,y-1/2,-z+2 |
4_547 |
35 |
13 |
5841 |
291.4 |
-3.0 |
0.448 |
3 |
2 |
0 |
0.056 |
21 |
|
D |
27 |
10 |
5737 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
36 |
8 |
7972 |
280.9 |
-1.9 |
0.457 |
4 |
2 |
0 |
0.056 |
| Average: |
286.1 |
-2.5 |
0.452 |
4 |
2 |
0 |
0.056 |
| 12 |
22 |
|
C |
29 |
7 |
5750 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
28 |
7 |
5750 |
253.1 |
-2.8 |
0.403 |
2 |
0 |
0 |
0.018 |
| 13 |
23 |
|
G |
17 |
3 |
5712 |
◊ |
D |
x,y,z |
1_555 |
29 |
8 |
5737 |
220.2 |
-2.2 |
0.296 |
2 |
3 |
0 |
0.004 |
| 14 |
24 |
|
D |
16 |
6 |
5737 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
19 |
5 |
5750 |
182.7 |
-2.4 |
0.279 |
1 |
0 |
0 |
0.003 |
| 15 |
25 |
|
E |
18 |
6 |
7944 |
x |
E |
-x+1/2,y-1/2,-z+2 |
4_547 |
9 |
3 |
7944 |
119.7 |
-1.5 |
0.231 |
1 |
0 |
0 |
0.000 |
26 |
|
B |
10 |
3 |
7972 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
17 |
5 |
7972 |
110.4 |
-1.3 |
0.318 |
1 |
0 |
0 |
0.000 |
| Average: |
115.0 |
-1.4 |
0.274 |
1 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[PO4]C:101 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
5750 |
90.2 |
-2.8 |
0.955 |
5 |
0 |
0 |
0.100 |
| 17 |
28 |
|
[PO4]H:101 |
4 |
1 |
189 |
f |
H |
x,y,z |
1_555 |
15 |
5 |
5841 |
78.0 |
-4.8 |
0.696 |
1 |
0 |
0 |
0.100 |
| 18 |
29 |
|
[PO4]A:101 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
7870 |
74.3 |
-3.6 |
0.861 |
2 |
0 |
0 |
0.100 |
| 19 |
30 |
|
[PO4]E:101 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
7944 |
73.3 |
-3.9 |
0.859 |
1 |
0 |
0 |
0.100 |
| 20 |
31 |
|
[PO4]B:101 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
7972 |
69.4 |
-3.0 |
0.907 |
2 |
0 |
0 |
0.100 |
| 21 |
32 |
|
[PO4]D:101 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
5737 |
67.8 |
-3.7 |
0.751 |
1 |
0 |
0 |
0.059 |
| 22 |
33 |
|
C |
7 |
1 |
5750 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
8 |
2 |
7972 |
64.5 |
-1.8 |
0.233 |
0 |
0 |
0 |
0.018 |
| 23 |
34 |
|
[PO4]F:101 |
4 |
1 |
189 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
7450 |
63.6 |
-3.0 |
0.918 |
2 |
0 |
0 |
0.100 |
| 24 |
35 |
|
D |
5 |
3 |
5737 |
f |
[PO4]B:102 |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
1 |
188 |
56.8 |
-2.5 |
0.929 |
2 |
0 |
0 |
0.047 |
| 25 |
36 |
|
[PO4]E:101 |
4 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
5841 |
47.2 |
-1.6 |
0.922 |
2 |
0 |
0 |
0.030 |
| 26 |
37 |
|
[PO4]A:101 |
3 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
5750 |
40.1 |
-1.3 |
0.892 |
2 |
0 |
0 |
0.024 |
| 27 |
38 |
|
[PO4]B:101 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
5737 |
39.7 |
-2.3 |
0.549 |
0 |
0 |
0 |
0.025 |
| 28 |
39 |
|
H |
4 |
2 |
5841 |
◊ |
E |
-x+1/2,y-1/2,-z+2 |
4_547 |
3 |
1 |
7944 |
37.0 |
0.6 |
0.773 |
1 |
0 |
0 |
0.000 |
40 |
|
B |
3 |
1 |
7972 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
5737 |
35.7 |
0.6 |
0.780 |
1 |
0 |
0 |
0.000 |
| Average: |
36.4 |
0.6 |
0.777 |
1 |
0 |
0 |
0.000 |
| 29 |
41 |
|
D |
6 |
3 |
5737 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
1 |
7972 |
36.2 |
0.7 |
0.802 |
1 |
0 |
0 |
0.000 |
| 30 |
42 |
|
G |
4 |
1 |
5712 |
◊ |
E |
-x,y,-z+2 |
2_557 |
3 |
1 |
7944 |
31.8 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
| 31 |
43 |
|
G |
3 |
3 |
5712 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
7870 |
31.7 |
-0.0 |
0.483 |
0 |
0 |
0 |
0.000 |
| 32 |
44 |
|
[PO4]B:101 |
4 |
1 |
188 |
◊ |
[PO4]A:101 |
x,y,z |
1_555 |
4 |
1 |
189 |
31.2 |
-2.9 |
0.973 |
0 |
0 |
0 |
0.057 |
| 33 |
45 |
|
[PO4]B:102 |
3 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
7972 |
30.8 |
-1.2 |
0.874 |
1 |
0 |
0 |
0.023 |
| 34 |
46 |
|
F |
4 |
1 |
7450 |
◊ |
E |
-x,y,-z+2 |
2_557 |
3 |
1 |
7944 |
28.7 |
0.5 |
0.794 |
0 |
0 |
0 |
0.000 |
| 35 |
47 |
|
[PO4]F:101 |
3 |
1 |
189 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
5712 |
28.1 |
-1.3 |
0.880 |
1 |
0 |
0 |
0.021 |
| 36 |
48 |
|
[PO4]F:101 |
4 |
1 |
189 |
◊ |
[PO4]E:101 |
x,y,z |
1_555 |
4 |
1 |
187 |
25.8 |
-2.3 |
0.986 |
0 |
0 |
0 |
0.044 |
| 37 |
49 |
|
A |
2 |
2 |
7870 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
7870 |
22.1 |
1.0 |
0.886 |
1 |
1 |
0 |
0.000 |
| 38 |
50 |
|
D |
3 |
1 |
5737 |
◊ |
[PO4]C:101 |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
188 |
21.4 |
-1.3 |
0.714 |
0 |
0 |
0 |
0.001 |
| 39 |
51 |
|
[PO4]B:101 |
3 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5750 |
20.7 |
-0.2 |
0.987 |
1 |
0 |
0 |
0.006 |
| 40 |
52 |
|
[PO4]F:101 |
3 |
1 |
189 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
7944 |
18.6 |
-0.2 |
0.982 |
0 |
0 |
0 |
0.004 |
| 41 |
53 |
|
[PO4]F:101 |
1 |
1 |
189 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
5841 |
17.0 |
-0.4 |
0.860 |
1 |
0 |
0 |
0.010 |
| 42 |
54 |
|
[PO4]E:101 |
1 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
5712 |
14.7 |
-0.2 |
0.874 |
0 |
0 |
0 |
0.003 |
55 |
|
[PO4]A:101 |
1 |
1 |
189 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5737 |
4.3 |
-0.3 |
0.571 |
0 |
0 |
0 |
0.003 |
| Average: |
9.5 |
-0.3 |
0.722 |
0 |
0 |
0 |
0.003 |
| 43 |
56 |
|
[PO4]C:101 |
1 |
1 |
188 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
7870 |
10.6 |
-0.4 |
0.822 |
0 |
0 |
0 |
0.004 |
| 44 |
57 |
|
[PO4]A:101 |
4 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
7972 |
10.4 |
-0.1 |
0.936 |
0 |
0 |
0 |
0.001 |
| 45 |
58 |
|
H |
1 |
1 |
5841 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
7972 |
4.7 |
0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
| 46 |
59 |
|
[PO4]C:101 |
1 |
1 |
188 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
7972 |
4.4 |
-0.8 |
0.183 |
0 |
0 |
0 |
0.008 |
| 47 |
60 |
|
[PO4]B:101 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7870 |
2.9 |
0.1 |
0.893 |
0 |
0 |
0 |
0.000 |
|