| ## |
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 |
|
E |
169 |
40 |
11127 |
◊ |
C |
x,y,z |
1_555 |
172 |
42 |
10739 |
1707.5 |
-20.7 |
0.100 |
17 |
14 |
0 |
0.502 |
2 |
|
F |
166 |
40 |
11046 |
◊ |
A |
x,y,z |
1_555 |
168 |
41 |
11141 |
1692.0 |
-21.8 |
0.094 |
19 |
10 |
0 |
0.502 |
3 |
|
D |
166 |
40 |
11352 |
◊ |
B |
x,y,z |
1_555 |
167 |
42 |
11091 |
1684.8 |
-21.9 |
0.094 |
17 |
9 |
0 |
0.502 |
| Average: |
1694.8 |
-21.5 |
0.096 |
18 |
11 |
0 |
0.502 |
| 2 |
4 |
|
F |
164 |
47 |
11046 |
◊ |
C |
x,y,z |
1_555 |
167 |
42 |
10739 |
1635.8 |
-24.6 |
0.040 |
2 |
0 |
0 |
0.369 |
5 |
|
D |
162 |
42 |
11352 |
◊ |
A |
x,y,z |
1_555 |
164 |
45 |
11141 |
1619.2 |
-24.5 |
0.041 |
3 |
0 |
0 |
0.369 |
6 |
|
E |
157 |
40 |
11127 |
◊ |
B |
x,y,z |
1_555 |
158 |
40 |
11091 |
1546.7 |
-26.4 |
0.019 |
2 |
0 |
0 |
0.369 |
| Average: |
1600.6 |
-25.2 |
0.033 |
2 |
0 |
0 |
0.369 |
| 3 |
7 |
|
E |
55 |
15 |
11127 |
◊ |
F |
x-1,y,z |
1_455 |
50 |
13 |
11046 |
450.2 |
0.2 |
0.717 |
12 |
3 |
0 |
0.000 |
8 |
|
B |
20 |
8 |
11091 |
◊ |
C |
x-1,y,z |
1_455 |
32 |
9 |
10739 |
182.6 |
-2.0 |
0.463 |
0 |
0 |
0 |
0.000 |
| Average: |
316.4 |
-0.9 |
0.590 |
6 |
2 |
0 |
0.000 |
| 4 |
9 |
|
B |
48 |
13 |
11091 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
40 |
13 |
11091 |
380.3 |
-0.5 |
0.690 |
1 |
0 |
0 |
0.000 |
| 5 |
10 |
|
F |
36 |
12 |
11046 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
40 |
12 |
11141 |
327.0 |
0.4 |
0.735 |
5 |
7 |
0 |
0.000 |
| 6 |
11 |
|
[FMC]D:302 |
19 |
1 |
411 |
f |
D |
x,y,z |
1_555 |
36 |
15 |
11352 |
248.9 |
-0.2 |
0.327 |
3 |
0 |
0 |
0.025 |
12 |
|
[FMC]C:301 |
19 |
1 |
410 |
f |
C |
x,y,z |
1_555 |
33 |
14 |
10739 |
243.1 |
-0.3 |
0.314 |
3 |
0 |
0 |
0.025 |
| Average: |
246.0 |
-0.3 |
0.320 |
3 |
0 |
0 |
0.025 |
| 7 |
13 |
|
D |
26 |
10 |
11352 |
◊ |
A |
x-1,y,z |
1_455 |
24 |
7 |
11141 |
228.6 |
-0.2 |
0.669 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
C |
25 |
9 |
10739 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
22 |
7 |
11141 |
202.8 |
1.8 |
0.806 |
2 |
0 |
0 |
0.000 |
15 |
|
F |
22 |
7 |
11046 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
10 |
11352 |
191.5 |
0.9 |
0.756 |
2 |
0 |
0 |
0.000 |
| Average: |
197.2 |
1.4 |
0.781 |
2 |
0 |
0 |
0.000 |
| 9 |
16 |
|
F |
22 |
6 |
11046 |
◊ |
D |
-x-1,y-1/2,-z-1/2 |
3_444 |
21 |
9 |
11352 |
173.2 |
-0.7 |
0.611 |
1 |
0 |
0 |
0.000 |
| 10 |
17 |
|
B |
17 |
7 |
11091 |
◊ |
F |
x-1,y,z |
1_455 |
18 |
7 |
11046 |
159.0 |
0.5 |
0.740 |
3 |
4 |
0 |
0.000 |
| 11 |
18 |
|
E |
12 |
5 |
11127 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
17 |
4 |
10739 |
128.3 |
-2.1 |
0.326 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[PO4]E:301 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
22 |
12 |
11127 |
112.2 |
-6.6 |
0.748 |
6 |
0 |
0 |
0.125 |
| 13 |
20 |
|
B |
12 |
5 |
11091 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
11141 |
110.5 |
1.3 |
0.828 |
1 |
0 |
0 |
0.000 |
21 |
|
C |
11 |
4 |
10739 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
11141 |
107.3 |
1.7 |
0.861 |
2 |
0 |
0 |
0.000 |
22 |
|
C |
11 |
5 |
10739 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
11091 |
100.9 |
0.6 |
0.748 |
1 |
0 |
0 |
0.000 |
23 |
|
F |
10 |
4 |
11046 |
◊ |
E |
x,y,z |
1_555 |
11 |
5 |
11127 |
96.3 |
0.7 |
0.757 |
1 |
0 |
0 |
0.000 |
24 |
|
E |
10 |
4 |
11127 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
11352 |
91.3 |
0.8 |
0.774 |
1 |
0 |
0 |
0.000 |
25 |
|
F |
10 |
5 |
11046 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
11352 |
90.8 |
0.8 |
0.771 |
1 |
0 |
0 |
0.000 |
| Average: |
99.5 |
1.0 |
0.790 |
1 |
0 |
0 |
0.000 |
| 14 |
26 |
|
[PO4]A:301 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
11141 |
102.6 |
-5.5 |
0.833 |
7 |
0 |
0 |
0.123 |
| 15 |
27 |
|
[PO4]B:301 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
11091 |
102.3 |
-6.3 |
0.731 |
6 |
0 |
0 |
0.147 |
| 16 |
28 |
|
[PO4]F:301 |
5 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
19 |
9 |
11046 |
101.1 |
-5.2 |
0.838 |
8 |
0 |
0 |
0.126 |
| 17 |
29 |
|
[PO4]C:302 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
10739 |
88.5 |
-5.5 |
0.704 |
6 |
0 |
0 |
0.117 |
| 18 |
30 |
|
[PO4]D:301 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
11352 |
85.2 |
-5.4 |
0.716 |
7 |
0 |
0 |
0.138 |
| 19 |
31 |
|
D |
8 |
4 |
11352 |
◊ |
F |
x-1,y,z |
1_455 |
12 |
6 |
11046 |
80.6 |
0.8 |
0.760 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
E |
7 |
4 |
11127 |
f |
[SO4]C:304 |
x-1,y,z |
1_455 |
5 |
1 |
186 |
75.1 |
-9.7 |
0.932 |
3 |
0 |
0 |
0.148 |
| 21 |
33 |
|
[SO4]E:302 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
11127 |
72.9 |
-9.6 |
0.882 |
5 |
0 |
0 |
0.159 |
| 22 |
34 |
|
[SO4]C:303 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
10739 |
71.5 |
-8.7 |
0.927 |
3 |
0 |
0 |
0.144 |
| 23 |
35 |
|
[SO4]F:303 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
11046 |
67.2 |
-8.8 |
0.878 |
3 |
0 |
0 |
0.146 |
| 24 |
36 |
|
[FMC]C:301 |
7 |
1 |
410 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
11046 |
66.3 |
1.2 |
0.600 |
2 |
0 |
0 |
0.000 |
37 |
|
[FMC]D:302 |
6 |
1 |
411 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11141 |
64.2 |
1.2 |
0.599 |
2 |
0 |
0 |
0.000 |
| Average: |
65.2 |
1.2 |
0.600 |
2 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[SO4]D:303 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
11352 |
65.7 |
-8.4 |
0.889 |
2 |
0 |
0 |
0.151 |
| 26 |
39 |
|
[SO4]D:303 |
4 |
1 |
184 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
4 |
11141 |
64.7 |
-8.0 |
0.819 |
1 |
0 |
0 |
0.000 |
| 27 |
40 |
|
[SO4]F:302 |
4 |
1 |
186 |
f |
A |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
3 |
11141 |
62.1 |
-9.2 |
0.545 |
2 |
0 |
0 |
0.145 |
| 28 |
41 |
|
[SO4]F:302 |
5 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
11046 |
52.7 |
-6.3 |
0.862 |
1 |
0 |
0 |
0.000 |
| 29 |
42 |
|
[FMC]C:301 |
6 |
1 |
410 |
f |
[PO4]C:302 |
x,y,z |
1_555 |
4 |
1 |
188 |
44.3 |
-2.3 |
0.552 |
0 |
0 |
0 |
0.032 |
| 30 |
43 |
|
[FMC]D:302 |
6 |
1 |
411 |
f |
[PO4]D:301 |
x,y,z |
1_555 |
4 |
1 |
187 |
43.8 |
-2.3 |
0.540 |
0 |
0 |
0 |
0.038 |
| 31 |
44 |
|
[PO4]A:301 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11352 |
39.3 |
-0.7 |
0.962 |
2 |
0 |
0 |
0.023 |
| 32 |
45 |
|
[PO4]F:301 |
3 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10739 |
39.2 |
-0.8 |
0.929 |
2 |
0 |
0 |
0.024 |
| 33 |
46 |
|
[PO4]E:301 |
3 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11091 |
38.1 |
-1.0 |
0.925 |
3 |
0 |
0 |
0.032 |
| 34 |
47 |
|
[PO4]B:301 |
3 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
11127 |
35.4 |
-1.1 |
0.923 |
3 |
0 |
0 |
0.032 |
| 35 |
48 |
|
[PO4]D:301 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11141 |
34.4 |
-0.5 |
0.929 |
2 |
0 |
0 |
0.020 |
| 36 |
49 |
|
[PO4]C:302 |
3 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
11046 |
34.3 |
-0.6 |
0.927 |
3 |
0 |
0 |
0.028 |
| 37 |
50 |
|
B |
2 |
1 |
11091 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
11141 |
11.5 |
-0.2 |
0.447 |
0 |
0 |
0 |
0.000 |
| 38 |
51 |
|
[SO4]F:302 |
1 |
1 |
186 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
11352 |
9.1 |
-1.2 |
0.574 |
0 |
0 |
0 |
0.018 |
| 39 |
52 |
|
[SO4]E:302 |
1 |
1 |
185 |
f |
[SO4]C:304 |
x-1,y,z |
1_455 |
2 |
1 |
186 |
5.7 |
-1.2 |
0.894 |
0 |
0 |
0 |
0.017 |
|