| ## |
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 |
232 |
59 |
11231 |
◊ |
A |
x,y,z |
1_555 |
228 |
59 |
11463 |
1993.6 |
-16.8 |
0.284 |
23 |
0 |
0 |
0.159 |
2 |
|
F |
227 |
59 |
11106 |
◊ |
E |
x,y,z |
1_555 |
220 |
57 |
11446 |
1949.4 |
-18.3 |
0.201 |
21 |
0 |
0 |
0.159 |
3 |
|
D |
218 |
56 |
10828 |
◊ |
C |
x,y,z |
1_555 |
226 |
58 |
11302 |
1934.9 |
-13.2 |
0.325 |
25 |
0 |
0 |
0.159 |
| Average: |
1959.3 |
-16.1 |
0.270 |
23 |
0 |
0 |
0.159 |
| 2 |
4 |
|
C |
106 |
34 |
11302 |
◊ |
A |
x,y,z |
1_555 |
103 |
33 |
11463 |
1024.1 |
-23.9 |
0.001 |
2 |
0 |
0 |
0.457 |
5 |
|
F |
102 |
33 |
11106 |
◊ |
B |
x,y,z |
1_555 |
99 |
33 |
11231 |
1013.7 |
-23.8 |
0.001 |
2 |
0 |
0 |
0.457 |
6 |
|
E |
103 |
33 |
11446 |
◊ |
D |
x,y,z |
1_555 |
100 |
33 |
10828 |
1012.0 |
-24.0 |
0.001 |
2 |
0 |
0 |
0.457 |
| Average: |
1016.6 |
-23.9 |
0.001 |
2 |
0 |
0 |
0.457 |
| 3 |
7 |
|
A |
45 |
13 |
11463 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
46 |
12 |
11463 |
395.6 |
-5.2 |
0.248 |
6 |
0 |
0 |
0.000 |
| 4 |
8 |
|
[BAU]A:5400 |
20 |
1 |
454 |
f |
A |
x,y,z |
1_555 |
45 |
18 |
11463 |
266.6 |
-2.7 |
0.703 |
4 |
0 |
0 |
0.245 |
9 |
|
[BAU]E:5041 |
20 |
1 |
452 |
f |
E |
x,y,z |
1_555 |
47 |
18 |
11446 |
265.6 |
-5.2 |
0.398 |
4 |
0 |
0 |
0.245 |
10 |
|
[BAU]C:5021 |
20 |
1 |
457 |
f |
C |
x,y,z |
1_555 |
43 |
17 |
11302 |
263.9 |
-5.4 |
0.328 |
4 |
0 |
0 |
0.245 |
11 |
|
[BAU]F:5051 |
20 |
1 |
457 |
f |
F |
x,y,z |
1_555 |
45 |
17 |
11106 |
263.4 |
-5.3 |
0.393 |
4 |
0 |
0 |
0.245 |
12 |
|
[BAU]B:5011 |
20 |
1 |
451 |
f |
B |
x,y,z |
1_555 |
46 |
18 |
11231 |
262.4 |
-5.4 |
0.387 |
4 |
0 |
0 |
0.245 |
13 |
|
[BAU]D:5031 |
20 |
1 |
452 |
f |
D |
x,y,z |
1_555 |
39 |
15 |
10828 |
256.1 |
-5.0 |
0.346 |
4 |
0 |
0 |
0.245 |
| Average: |
263.0 |
-4.8 |
0.426 |
4 |
0 |
0 |
0.245 |
| 5 |
14 |
|
B |
28 |
9 |
11231 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
28 |
9 |
11463 |
238.9 |
-1.9 |
0.390 |
1 |
0 |
0 |
0.000 |
| 6 |
15 |
|
B |
27 |
8 |
11231 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
11 |
11106 |
234.9 |
0.1 |
0.712 |
4 |
2 |
0 |
0.000 |
| 7 |
16 |
|
F |
16 |
4 |
11106 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
10828 |
199.6 |
2.5 |
0.729 |
4 |
0 |
0 |
0.003 |
17 |
|
C |
20 |
8 |
11302 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
11231 |
191.2 |
1.2 |
0.681 |
4 |
0 |
0 |
0.003 |
18 |
|
D |
18 |
4 |
10828 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
11463 |
188.8 |
1.3 |
0.707 |
4 |
0 |
0 |
0.003 |
19 |
|
F |
21 |
8 |
11106 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
11463 |
188.5 |
1.0 |
0.678 |
4 |
0 |
0 |
0.003 |
20 |
|
E |
18 |
4 |
11446 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
11231 |
187.8 |
1.3 |
0.721 |
4 |
0 |
0 |
0.003 |
21 |
|
E |
23 |
8 |
11446 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
11302 |
186.0 |
1.3 |
0.726 |
3 |
0 |
0 |
0.003 |
| Average: |
190.3 |
1.5 |
0.707 |
4 |
0 |
0 |
0.003 |
| 8 |
22 |
|
F |
25 |
8 |
11106 |
◊ |
C |
-x-1/2,-y+2,z-1/2 |
2_474 |
28 |
8 |
11302 |
199.0 |
0.5 |
0.735 |
0 |
0 |
0 |
0.000 |
| 9 |
23 |
|
B |
17 |
7 |
11231 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
5 |
11446 |
137.9 |
0.5 |
0.726 |
3 |
1 |
0 |
0.000 |
| 10 |
24 |
|
[BAU]C:5021 |
8 |
1 |
457 |
◊ |
D |
x,y,z |
1_555 |
17 |
4 |
10828 |
108.6 |
-0.4 |
0.709 |
1 |
0 |
0 |
0.016 |
25 |
|
[BAU]F:5051 |
8 |
1 |
457 |
◊ |
E |
x,y,z |
1_555 |
17 |
4 |
11446 |
106.9 |
-0.4 |
0.714 |
1 |
0 |
0 |
0.016 |
26 |
|
[BAU]E:5041 |
8 |
1 |
452 |
◊ |
F |
x,y,z |
1_555 |
17 |
4 |
11106 |
105.7 |
-1.4 |
0.588 |
1 |
0 |
0 |
0.016 |
27 |
|
[BAU]D:5031 |
8 |
1 |
452 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
11302 |
105.4 |
-0.4 |
0.710 |
1 |
0 |
0 |
0.016 |
28 |
|
[BAU]A:5400 |
8 |
1 |
454 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
11231 |
105.3 |
-0.4 |
0.705 |
1 |
0 |
0 |
0.016 |
29 |
|
[BAU]B:5011 |
8 |
1 |
451 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
11463 |
104.8 |
-1.4 |
0.598 |
1 |
0 |
0 |
0.016 |
| Average: |
106.1 |
-0.8 |
0.671 |
1 |
0 |
0 |
0.016 |
| 11 |
30 |
|
F |
14 |
4 |
11106 |
◊ |
C |
-x+1/2,-y+2,z-1/2 |
2_574 |
17 |
4 |
11302 |
95.7 |
0.8 |
0.772 |
2 |
0 |
0 |
0.000 |
| 12 |
31 |
|
[PO4]E:3042 |
5 |
1 |
189 |
f |
E |
x,y,z |
1_555 |
18 |
10 |
11446 |
87.7 |
-5.5 |
0.788 |
6 |
0 |
0 |
0.283 |
32 |
|
[PO4]D:3032 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
10828 |
87.6 |
-5.6 |
0.786 |
6 |
0 |
0 |
0.283 |
33 |
|
[PO4]F:3052 |
5 |
1 |
189 |
f |
F |
x,y,z |
1_555 |
18 |
10 |
11106 |
87.1 |
-4.5 |
0.840 |
7 |
0 |
0 |
0.283 |
34 |
|
[PO4]A:3030 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
11463 |
87.0 |
-4.6 |
0.839 |
7 |
0 |
0 |
0.283 |
35 |
|
[PO4]C:3022 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
11302 |
85.2 |
-4.4 |
0.838 |
6 |
0 |
0 |
0.283 |
36 |
|
[PO4]B:3012 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
11231 |
84.7 |
-5.5 |
0.793 |
6 |
0 |
0 |
0.283 |
| Average: |
86.6 |
-5.0 |
0.814 |
6 |
0 |
0 |
0.283 |
| 13 |
37 |
|
[K]E:1002 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
17 |
6 |
11106 |
80.5 |
-53.8 |
0.000 |
0 |
0 |
0 |
0.637 |
38 |
|
[K]A:1001 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
11231 |
80.4 |
-54.5 |
0.000 |
0 |
0 |
0 |
0.637 |
39 |
|
[K]C:1003 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
10828 |
80.3 |
-54.4 |
0.000 |
0 |
0 |
0 |
0.637 |
40 |
|
[K]C:1003 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
11302 |
79.7 |
-53.6 |
0.000 |
0 |
0 |
0 |
0.637 |
41 |
|
[K]E:1002 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
11446 |
79.6 |
-54.0 |
0.000 |
0 |
0 |
0 |
0.637 |
42 |
|
[K]A:1001 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
11463 |
78.9 |
-53.3 |
0.000 |
0 |
0 |
0 |
0.637 |
| Average: |
79.9 |
-53.9 |
0.000 |
0 |
0 |
0 |
0.637 |
| 14 |
43 |
|
D |
10 |
4 |
10828 |
◊ |
E |
x-1/2,-y+5/2,-z+1 |
4_476 |
4 |
1 |
11446 |
65.1 |
-0.3 |
0.535 |
0 |
0 |
0 |
0.000 |
| 15 |
44 |
|
A |
4 |
2 |
11463 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
7 |
3 |
11231 |
40.6 |
1.1 |
0.861 |
1 |
1 |
0 |
0.000 |
| 16 |
45 |
|
[PO4]E:3042 |
3 |
1 |
189 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
11106 |
36.8 |
-0.6 |
0.935 |
2 |
0 |
0 |
0.017 |
46 |
|
[PO4]C:3022 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
10828 |
36.5 |
-0.6 |
0.971 |
2 |
0 |
0 |
0.017 |
47 |
|
[PO4]F:3052 |
3 |
1 |
189 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
11446 |
35.1 |
-0.5 |
0.934 |
2 |
0 |
0 |
0.017 |
48 |
|
[PO4]B:3012 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11463 |
34.7 |
-0.7 |
0.931 |
2 |
0 |
0 |
0.017 |
49 |
|
[PO4]D:3032 |
3 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11302 |
34.6 |
-0.5 |
0.933 |
2 |
0 |
0 |
0.017 |
| Average: |
35.6 |
-0.6 |
0.941 |
2 |
0 |
0 |
0.017 |
| 17 |
50 |
|
[PO4]A:3030 |
3 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11231 |
34.3 |
-0.6 |
0.931 |
2 |
0 |
0 |
0.009 |
| 18 |
51 |
|
[BAU]D:5031 |
4 |
1 |
452 |
f |
[PO4]D:3032 |
x,y,z |
1_555 |
4 |
1 |
189 |
31.9 |
-1.6 |
0.859 |
0 |
0 |
0 |
0.057 |
52 |
|
[BAU]B:5011 |
4 |
1 |
451 |
f |
[PO4]B:3012 |
x,y,z |
1_555 |
4 |
1 |
188 |
30.0 |
-1.6 |
0.863 |
0 |
0 |
0 |
0.057 |
53 |
|
[BAU]C:5021 |
4 |
1 |
457 |
f |
[PO4]C:3022 |
x,y,z |
1_555 |
4 |
1 |
188 |
29.7 |
-1.6 |
0.864 |
0 |
0 |
0 |
0.057 |
54 |
|
[BAU]F:5051 |
4 |
1 |
457 |
f |
[PO4]F:3052 |
x,y,z |
1_555 |
4 |
1 |
189 |
29.6 |
-1.6 |
0.857 |
0 |
0 |
0 |
0.057 |
55 |
|
[BAU]E:5041 |
4 |
1 |
452 |
f |
[PO4]E:3042 |
x,y,z |
1_555 |
4 |
1 |
189 |
29.3 |
-1.5 |
0.860 |
0 |
0 |
0 |
0.057 |
56 |
|
[BAU]A:5400 |
4 |
1 |
454 |
f |
[PO4]A:3030 |
x,y,z |
1_555 |
4 |
1 |
188 |
29.2 |
-1.5 |
0.875 |
0 |
0 |
0 |
0.057 |
| Average: |
29.9 |
-1.6 |
0.863 |
0 |
0 |
0 |
0.057 |
| 19 |
57 |
|
B |
4 |
1 |
11231 |
x |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
11231 |
18.8 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
| 20 |
58 |
|
E |
3 |
1 |
11446 |
◊ |
C |
-x-1/2,-y+2,z-1/2 |
2_474 |
1 |
1 |
11302 |
12.7 |
0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
|