| ## |
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 |
440 |
110 |
20956 |
◊ |
A |
x,y,z |
1_555 |
451 |
111 |
20882 |
3893.4 |
-41.2 |
0.005 |
76 |
18 |
0 |
0.642 |
| 2 |
2 |
|
[20M]B:601 |
33 |
1 |
702 |
f |
B |
x,y,z |
1_555 |
60 |
21 |
20956 |
461.4 |
-5.7 |
0.376 |
4 |
0 |
0 |
0.122 |
3 |
|
[20M]A:601 |
34 |
1 |
696 |
f |
A |
x,y,z |
1_555 |
56 |
20 |
20882 |
448.5 |
-5.9 |
0.332 |
3 |
0 |
0 |
0.122 |
| Average: |
454.9 |
-5.8 |
0.354 |
4 |
0 |
0 |
0.122 |
| 3 |
4 |
|
A |
39 |
13 |
20882 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
47 |
18 |
20956 |
394.1 |
1.2 |
0.649 |
5 |
2 |
0 |
0.000 |
| 4 |
5 |
|
B |
28 |
9 |
20956 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
28 |
9 |
20956 |
283.0 |
-1.8 |
0.291 |
4 |
0 |
0 |
0.000 |
6 |
|
A |
26 |
7 |
20882 |
x |
A |
-x,y-1/2,-z |
2_545 |
29 |
9 |
20882 |
267.1 |
-2.0 |
0.257 |
3 |
0 |
0 |
0.000 |
| Average: |
275.0 |
-1.9 |
0.274 |
4 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
24 |
6 |
20882 |
◊ |
B |
x,y,z-1 |
1_554 |
22 |
6 |
20956 |
213.7 |
-2.7 |
0.225 |
4 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[EDO]A:605 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
20882 |
108.0 |
4.1 |
0.480 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[EDO]A:609 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
20882 |
101.2 |
3.4 |
0.518 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EDO]A:607 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
20882 |
100.1 |
2.7 |
0.403 |
4 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:606 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
20882 |
99.9 |
4.4 |
0.549 |
3 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]B:608 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
20956 |
88.4 |
2.7 |
0.291 |
3 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[PO4]B:603 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
20956 |
87.5 |
-4.1 |
0.806 |
5 |
0 |
0 |
0.052 |
| 12 |
14 |
|
[EDO]B:605 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
20956 |
86.4 |
3.8 |
0.546 |
3 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[EDO]B:610 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
20956 |
86.0 |
2.5 |
0.413 |
2 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[PO4]A:602 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
20882 |
85.9 |
-4.0 |
0.807 |
5 |
0 |
0 |
0.051 |
| 15 |
17 |
|
[PO4]A:603 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
20882 |
85.8 |
-3.0 |
0.950 |
4 |
0 |
0 |
0.039 |
| 16 |
18 |
|
[EDO]B:607 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
20956 |
84.4 |
2.9 |
0.506 |
0 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[PO4]B:602 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
20956 |
83.0 |
-2.7 |
0.951 |
4 |
0 |
0 |
0.037 |
| 18 |
20 |
|
[EDO]A:610 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
20882 |
82.9 |
2.5 |
0.294 |
4 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[EDO]B:606 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
20956 |
81.3 |
2.1 |
0.407 |
3 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]B:609 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
20882 |
80.9 |
2.0 |
0.408 |
2 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[PO4]B:604 |
5 |
1 |
191 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
20956 |
79.4 |
-5.3 |
0.633 |
1 |
0 |
0 |
0.048 |
| 22 |
24 |
|
[EDO]A:608 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
20882 |
79.2 |
2.2 |
0.247 |
1 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[PO4]A:604 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
20882 |
78.1 |
-5.2 |
0.643 |
1 |
0 |
0 |
0.047 |
| 24 |
26 |
|
[20M]B:601 |
12 |
1 |
702 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
20882 |
74.9 |
-0.6 |
0.440 |
0 |
0 |
0 |
0.011 |
27 |
|
[20M]A:601 |
12 |
1 |
696 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
20956 |
73.7 |
-0.7 |
0.441 |
0 |
0 |
0 |
0.011 |
| Average: |
74.3 |
-0.7 |
0.441 |
0 |
0 |
0 |
0.011 |
| 25 |
28 |
|
[EDO]B:609 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20956 |
57.0 |
1.2 |
0.197 |
1 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[EDO]B:610 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
20882 |
56.8 |
1.2 |
0.731 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[EDO]B:606 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
20882 |
56.1 |
1.2 |
0.194 |
1 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[PO4]B:603 |
5 |
1 |
190 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
20882 |
46.3 |
-1.9 |
0.857 |
1 |
0 |
0 |
0.019 |
| 29 |
32 |
|
[PO4]A:602 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
20956 |
46.0 |
-1.9 |
0.867 |
1 |
0 |
0 |
0.019 |
| 30 |
33 |
|
[PO4]B:604 |
4 |
1 |
191 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
20882 |
41.3 |
-1.5 |
0.939 |
2 |
0 |
0 |
0.020 |
| 31 |
34 |
|
[PO4]A:604 |
4 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
20956 |
40.5 |
-1.4 |
0.945 |
2 |
0 |
0 |
0.019 |
| 32 |
35 |
|
[EDO]A:607 |
4 |
1 |
184 |
f |
[20M]A:601 |
x,y,z |
1_555 |
5 |
1 |
696 |
38.3 |
-0.3 |
0.557 |
0 |
0 |
0 |
0.002 |
| 33 |
36 |
|
[EDO]B:607 |
3 |
1 |
185 |
f |
[EDO]B:605 |
x,y,z |
1_555 |
4 |
1 |
184 |
34.2 |
1.2 |
1.000 |
1 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[EDO]B:608 |
3 |
1 |
183 |
f |
[PO4]B:604 |
x,y,z |
1_555 |
4 |
1 |
191 |
33.3 |
-0.8 |
0.986 |
0 |
0 |
0 |
0.007 |
| 35 |
38 |
|
[EDO]A:610 |
3 |
1 |
184 |
cf |
[PO4]A:604 |
x,y,z |
1_555 |
4 |
1 |
190 |
33.2 |
-0.8 |
0.986 |
0 |
0 |
0 |
0.007 |
| 36 |
39 |
|
[EDO]A:606 |
3 |
1 |
183 |
f |
[PO4]A:603 |
x,y,z |
1_555 |
4 |
1 |
190 |
33.2 |
-0.6 |
0.986 |
1 |
0 |
0 |
0.008 |
| 37 |
40 |
|
[EDO]A:610 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
20956 |
31.4 |
1.4 |
0.944 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]B:608 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20882 |
30.1 |
1.3 |
0.938 |
0 |
0 |
0 |
0.000 |
| Average: |
30.8 |
1.4 |
0.941 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
A |
3 |
1 |
20882 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
20956 |
30.6 |
-0.7 |
0.269 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
[PO4]A:603 |
4 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20956 |
30.0 |
-1.4 |
0.849 |
1 |
0 |
0 |
0.015 |
| 40 |
44 |
|
[EDO]B:605 |
3 |
1 |
184 |
f |
[PO4]B:602 |
x,y,z |
1_555 |
4 |
1 |
189 |
29.5 |
-0.6 |
0.986 |
1 |
0 |
0 |
0.009 |
| 41 |
45 |
|
[PO4]B:602 |
4 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20882 |
29.3 |
-1.3 |
0.843 |
1 |
0 |
0 |
0.014 |
| 42 |
46 |
|
[EDO]A:608 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
20956 |
24.2 |
0.5 |
0.824 |
0 |
0 |
0 |
0.000 |
| 43 |
47 |
|
[PO4]B:603 |
4 |
1 |
190 |
f |
[20M]B:601 |
x,y,z |
1_555 |
5 |
1 |
702 |
21.7 |
-0.9 |
0.815 |
0 |
0 |
0 |
0.008 |
| 44 |
48 |
|
[PO4]A:602 |
4 |
1 |
187 |
f |
[20M]A:601 |
x,y,z |
1_555 |
5 |
1 |
696 |
21.4 |
-0.9 |
0.813 |
0 |
0 |
0 |
0.007 |
| 45 |
49 |
|
[EDO]B:607 |
2 |
1 |
185 |
f |
[EDO]A:608 |
x,y,z |
1_555 |
3 |
1 |
184 |
20.0 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
| 46 |
50 |
|
[PO4]B:603 |
3 |
1 |
190 |
◊ |
[PO4]A:603 |
x,y,z |
1_555 |
3 |
1 |
190 |
17.9 |
-1.8 |
0.992 |
0 |
0 |
0 |
0.015 |
| 47 |
51 |
|
[PO4]B:602 |
3 |
1 |
189 |
◊ |
[PO4]A:602 |
x,y,z |
1_555 |
3 |
1 |
187 |
17.7 |
-1.8 |
0.992 |
0 |
0 |
0 |
0.015 |
| 48 |
52 |
|
[EDO]B:607 |
3 |
1 |
185 |
◊ |
[EDO]A:610 |
x,y,z |
1_555 |
1 |
1 |
184 |
12.3 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 49 |
53 |
|
[EDO]B:607 |
1 |
1 |
185 |
f |
[PO4]B:602 |
x,y,z |
1_555 |
1 |
1 |
189 |
10.7 |
-0.4 |
0.894 |
0 |
0 |
0 |
0.003 |
| 50 |
54 |
|
[EDO]B:607 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
20882 |
10.0 |
0.3 |
0.893 |
0 |
0 |
0 |
0.000 |
| 51 |
55 |
|
B |
3 |
2 |
20956 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
20882 |
9.7 |
0.5 |
0.782 |
0 |
0 |
0 |
0.000 |
| 52 |
56 |
|
[PO4]B:602 |
3 |
1 |
189 |
◊ |
[PO4]A:604 |
x,y,z |
1_555 |
1 |
1 |
190 |
8.2 |
-0.9 |
0.891 |
0 |
0 |
0 |
0.007 |
| 53 |
57 |
|
[PO4]B:604 |
1 |
1 |
191 |
◊ |
[PO4]A:603 |
x,y,z |
1_555 |
3 |
1 |
190 |
8.2 |
-0.8 |
0.891 |
0 |
0 |
0 |
0.007 |
| 54 |
58 |
|
[EDO]A:610 |
1 |
1 |
184 |
◊ |
[EDO]A:608 |
x,y,z |
1_555 |
1 |
1 |
184 |
5.1 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 55 |
59 |
|
[EDO]B:609 |
1 |
1 |
185 |
f |
[PO4]B:603 |
x,y,z |
1_555 |
1 |
1 |
190 |
4.0 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
| 56 |
60 |
|
[EDO]B:606 |
1 |
1 |
185 |
f |
[PO4]A:602 |
x,y,z |
1_555 |
1 |
1 |
187 |
3.8 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
| 57 |
61 |
|
[EDO]A:606 |
1 |
1 |
183 |
◊ |
[PO4]B:604 |
x,y,z |
1_555 |
1 |
1 |
191 |
1.9 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
| 58 |
62 |
|
[EDO]B:605 |
1 |
1 |
184 |
◊ |
[PO4]A:604 |
x,y,z |
1_555 |
1 |
1 |
190 |
1.5 |
-0.0 |
0.894 |
0 |
0 |
0 |
0.000 |
|