| ## |
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 |
133 |
30 |
13589 |
◊ |
C |
x,y,z |
1_555 |
126 |
29 |
13415 |
1245.0 |
-1.9 |
0.423 |
22 |
23 |
0 |
0.157 |
2 |
|
B |
130 |
30 |
13406 |
◊ |
A |
x,y,z |
1_555 |
133 |
30 |
13441 |
1237.3 |
-1.2 |
0.466 |
22 |
27 |
0 |
0.157 |
| Average: |
1241.1 |
-1.6 |
0.445 |
22 |
25 |
0 |
0.157 |
| 2 |
3 |
|
D |
117 |
28 |
13589 |
◊ |
A |
x,y,z |
1_555 |
124 |
30 |
13441 |
1028.7 |
-9.1 |
0.108 |
4 |
6 |
0 |
0.114 |
4 |
|
C |
126 |
30 |
13415 |
◊ |
B |
x,y,z |
1_555 |
122 |
30 |
13406 |
1007.0 |
-11.6 |
0.060 |
6 |
6 |
0 |
0.114 |
| Average: |
1017.8 |
-10.4 |
0.084 |
5 |
6 |
0 |
0.114 |
| 3 |
5 |
|
A |
47 |
15 |
13441 |
◊ |
B |
-y-1/2,x+1/2,z+3/4 |
3_455 |
49 |
15 |
13406 |
378.5 |
-1.4 |
0.412 |
7 |
2 |
0 |
0.031 |
| 4 |
6 |
|
D |
43 |
16 |
13589 |
◊ |
C |
y,x,-z |
7_555 |
38 |
12 |
13415 |
352.3 |
4.5 |
0.815 |
5 |
3 |
0 |
0.000 |
| 5 |
7 |
|
[AMP]C:301 |
23 |
1 |
504 |
f |
C |
x,y,z |
1_555 |
39 |
17 |
13415 |
307.6 |
0.9 |
0.566 |
3 |
0 |
0 |
0.028 |
8 |
|
[AMP]B:301 |
22 |
1 |
501 |
f |
B |
x,y,z |
1_555 |
41 |
19 |
13406 |
294.3 |
0.8 |
0.560 |
4 |
0 |
0 |
0.028 |
9 |
|
[AMP]D:301 |
22 |
1 |
500 |
f |
D |
x,y,z |
1_555 |
36 |
16 |
13589 |
288.8 |
-0.5 |
0.392 |
4 |
0 |
0 |
0.028 |
10 |
|
[AMP]A:301 |
21 |
1 |
502 |
f |
A |
x,y,z |
1_555 |
39 |
18 |
13441 |
275.2 |
0.6 |
0.439 |
4 |
0 |
0 |
0.028 |
| Average: |
291.5 |
0.4 |
0.489 |
4 |
0 |
0 |
0.028 |
| 6 |
11 |
|
B |
31 |
10 |
13406 |
x |
B |
-y-1/2,x+1/2,z-1/4 |
3_454 |
36 |
11 |
13406 |
298.3 |
0.4 |
0.503 |
2 |
0 |
0 |
0.000 |
| 7 |
12 |
|
C |
29 |
11 |
13415 |
◊ |
C |
-y,-x,-z-1/2 |
8_554 |
28 |
11 |
13415 |
226.3 |
-1.1 |
0.408 |
0 |
0 |
0 |
0.000 |
| 8 |
13 |
|
A |
23 |
9 |
13441 |
x |
A |
-y-1/2,x+1/2,z-1/4 |
3_454 |
18 |
7 |
13441 |
174.9 |
0.6 |
0.596 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
C |
21 |
6 |
13415 |
◊ |
B |
-y-1/2,x+1/2,z-1/4 |
3_454 |
17 |
5 |
13406 |
173.3 |
1.6 |
0.571 |
1 |
1 |
0 |
0.000 |
| 10 |
15 |
|
D |
20 |
5 |
13589 |
◊ |
C |
-y,-x,-z+1/2 |
8_555 |
14 |
5 |
13415 |
152.0 |
1.5 |
0.710 |
3 |
0 |
0 |
0.000 |
| 11 |
16 |
|
C |
13 |
5 |
13415 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
13441 |
129.0 |
-0.9 |
0.397 |
1 |
0 |
0 |
0.008 |
17 |
|
D |
9 |
3 |
13589 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
13406 |
69.5 |
-0.8 |
0.377 |
0 |
0 |
0 |
0.008 |
| Average: |
99.2 |
-0.8 |
0.387 |
1 |
0 |
0 |
0.008 |
| 12 |
18 |
|
[PO4]B:302 |
5 |
1 |
195 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
13406 |
120.7 |
-7.8 |
0.712 |
6 |
0 |
0 |
0.078 |
| 13 |
19 |
|
[PO4]A:302 |
5 |
1 |
193 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
13441 |
116.6 |
-7.5 |
0.712 |
7 |
0 |
0 |
0.070 |
| 14 |
20 |
|
[PO4]C:303 |
5 |
1 |
192 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
13415 |
115.4 |
-7.4 |
0.710 |
9 |
0 |
0 |
0.118 |
| 15 |
21 |
|
[PO4]D:302 |
5 |
1 |
193 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
13589 |
113.3 |
-7.4 |
0.683 |
6 |
0 |
0 |
0.104 |
| 16 |
22 |
|
[SO4]A:306 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13441 |
105.5 |
-15.3 |
0.832 |
6 |
0 |
0 |
0.117 |
| 17 |
23 |
|
[SO4]C:304 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
13415 |
104.9 |
-15.6 |
0.799 |
5 |
0 |
0 |
0.185 |
| 18 |
24 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
13406 |
101.9 |
-14.8 |
0.791 |
4 |
0 |
0 |
0.125 |
| 19 |
25 |
|
[SO4]B:305 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
13406 |
95.8 |
-13.5 |
0.731 |
4 |
0 |
0 |
0.115 |
| 20 |
26 |
|
[SO4]A:304 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13441 |
95.3 |
-13.1 |
0.756 |
4 |
0 |
0 |
0.098 |
| 21 |
27 |
|
[SO4]C:305 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
13415 |
85.1 |
-9.6 |
0.936 |
3 |
0 |
0 |
0.113 |
| 22 |
28 |
|
D |
9 |
4 |
13589 |
◊ |
D |
-y,-x,-z+1/2 |
8_555 |
9 |
4 |
13589 |
77.1 |
0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
13441 |
71.3 |
-7.9 |
0.933 |
2 |
0 |
0 |
0.057 |
| 24 |
30 |
|
[SO4]B:304 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13406 |
70.7 |
-10.1 |
0.622 |
2 |
0 |
0 |
0.083 |
| 25 |
31 |
|
[SO4]A:305 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
13441 |
68.3 |
-9.7 |
0.623 |
2 |
0 |
0 |
0.069 |
| 26 |
32 |
|
[SO4]D:303 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
13589 |
63.0 |
-7.7 |
0.900 |
3 |
0 |
0 |
0.094 |
| 27 |
33 |
|
[SO4]A:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
13406 |
44.9 |
-5.1 |
0.847 |
1 |
0 |
0 |
0.036 |
| 28 |
34 |
|
[SO4]D:303 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
13415 |
42.5 |
-4.6 |
0.866 |
1 |
0 |
0 |
0.052 |
| 29 |
35 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
13415 |
41.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.051 |
| 30 |
36 |
|
D |
3 |
1 |
13589 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
2 |
1 |
13441 |
35.8 |
1.0 |
0.854 |
1 |
2 |
0 |
0.000 |
| 31 |
37 |
|
[SO4]A:305 |
4 |
1 |
185 |
◊ |
B |
-y-1/2,x+1/2,z+3/4 |
3_455 |
2 |
1 |
13406 |
35.3 |
-3.6 |
0.904 |
1 |
0 |
0 |
0.027 |
| 32 |
38 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
[AMP]C:301 |
x,y,z |
1_555 |
4 |
1 |
504 |
33.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.051 |
| 33 |
39 |
|
A |
3 |
2 |
13441 |
◊ |
B |
-y-1/2,x+1/2,z-1/4 |
3_454 |
5 |
2 |
13406 |
30.0 |
0.7 |
0.785 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[SO4]A:305 |
4 |
1 |
185 |
◊ |
[SO4]B:304 |
-y-1/2,x+1/2,z+3/4 |
3_455 |
4 |
1 |
184 |
29.9 |
-6.5 |
0.998 |
0 |
0 |
0 |
0.042 |
| 35 |
41 |
|
A |
2 |
1 |
13441 |
◊ |
[SO4]B:304 |
-y-1/2,x+1/2,z+3/4 |
3_455 |
3 |
1 |
184 |
29.1 |
-3.3 |
0.819 |
1 |
0 |
0 |
0.025 |
| 36 |
42 |
|
[SO4]A:306 |
1 |
1 |
187 |
f |
[PO4]A:302 |
x,y,z |
1_555 |
3 |
1 |
193 |
23.6 |
-4.1 |
0.891 |
0 |
0 |
0 |
0.027 |
| 37 |
43 |
|
[SO4]B:303 |
1 |
1 |
185 |
f |
[PO4]B:302 |
x,y,z |
1_555 |
3 |
1 |
195 |
21.1 |
-3.7 |
0.891 |
0 |
0 |
0 |
0.027 |
| 38 |
44 |
|
[SO4]B:305 |
3 |
1 |
185 |
f |
[SO4]B:304 |
x,y,z |
1_555 |
2 |
1 |
184 |
21.0 |
-4.9 |
0.976 |
0 |
0 |
0 |
0.037 |
| 39 |
45 |
|
[SO4]C:304 |
1 |
1 |
184 |
f |
[PO4]C:303 |
x,y,z |
1_555 |
4 |
1 |
192 |
20.7 |
-3.6 |
0.894 |
0 |
0 |
0 |
0.037 |
| 40 |
46 |
|
C |
4 |
2 |
13415 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
2 |
13589 |
15.2 |
0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
| 41 |
47 |
|
A |
2 |
1 |
13441 |
◊ |
D |
-y-1/2,x+1/2,z-1/4 |
3_454 |
2 |
1 |
13589 |
12.0 |
-0.4 |
0.303 |
0 |
0 |
0 |
0.000 |
| 42 |
48 |
|
[SO4]A:305 |
1 |
1 |
185 |
f |
[SO4]A:304 |
x,y,z |
1_555 |
3 |
1 |
186 |
11.9 |
-2.7 |
0.891 |
0 |
0 |
0 |
0.018 |
| 43 |
49 |
|
[SO4]A:303 |
2 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
13415 |
9.0 |
-1.0 |
0.832 |
0 |
0 |
0 |
0.004 |
| 44 |
50 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
[PO4]C:303 |
x,y,z |
1_555 |
3 |
1 |
192 |
6.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| 45 |
51 |
|
[SO4]D:303 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
13406 |
2.3 |
-0.2 |
0.791 |
0 |
0 |
0 |
0.000 |
|