| ## |
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 |
|
A |
88 |
31 |
20944 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
77 |
21 |
20944 |
711.6 |
1.1 |
0.700 |
9 |
1 |
0 |
0.000 |
| 2 |
2 |
|
B |
70 |
24 |
21141 |
◊ |
A |
x,y,z |
1_555 |
78 |
25 |
20944 |
680.9 |
-2.0 |
0.463 |
2 |
4 |
0 |
0.000 |
| 3 |
3 |
|
B |
47 |
11 |
21141 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
65 |
23 |
21141 |
484.7 |
1.8 |
0.735 |
10 |
2 |
0 |
0.000 |
| 4 |
4 |
|
A |
35 |
15 |
20944 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
33 |
11 |
21141 |
260.2 |
1.6 |
0.742 |
1 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
25 |
12 |
20944 |
◊ |
B |
x-1,y-1,z |
1_445 |
28 |
15 |
21141 |
236.7 |
-1.7 |
0.361 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
17 |
9 |
20944 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
10 |
21141 |
147.8 |
0.9 |
0.691 |
3 |
0 |
0 |
0.000 |
| 7 |
7 |
|
A |
17 |
4 |
20944 |
◊ |
B |
x,y-1,z |
1_545 |
18 |
9 |
21141 |
144.8 |
-1.3 |
0.344 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
A |
8 |
4 |
20944 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
5 |
21141 |
100.0 |
0.1 |
0.606 |
2 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[VO4]A:700 |
5 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
20 |
13 |
20944 |
88.1 |
-1.6 |
0.526 |
0 |
0 |
0 |
0.002 |
10 |
|
[VO4]B:700 |
5 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
20 |
14 |
21141 |
87.9 |
-1.5 |
0.536 |
0 |
0 |
0 |
0.002 |
| Average: |
88.0 |
-1.6 |
0.531 |
0 |
0 |
0 |
0.002 |
| 10 |
11 |
|
[FEO]A:1594 |
3 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
17 |
12 |
20944 |
79.0 |
-12.0 |
0.710 |
0 |
0 |
0 |
0.015 |
12 |
|
[FEO]B:1594 |
3 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
17 |
12 |
21141 |
78.3 |
-12.2 |
0.703 |
0 |
0 |
0 |
0.015 |
| Average: |
78.6 |
-12.1 |
0.706 |
0 |
0 |
0 |
0.015 |
| 11 |
13 |
|
[CL]A:1590 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
20944 |
72.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.014 |
14 |
|
[CL]B:1590 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
21141 |
71.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
72.0 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.014 |
| 12 |
15 |
|
[CL]B:1589 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
21141 |
68.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.015 |
16 |
|
[CL]A:1589 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
20944 |
68.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
68.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.015 |
| 13 |
17 |
|
[FEO]A:1594 |
3 |
1 |
210 |
f |
[VO4]A:700 |
x,y,z |
1_555 |
4 |
1 |
205 |
45.9 |
-4.8 |
0.635 |
0 |
0 |
0 |
0.006 |
18 |
|
[FEO]B:1594 |
3 |
1 |
211 |
f |
[VO4]B:700 |
x,y,z |
1_555 |
4 |
1 |
206 |
45.8 |
-4.9 |
0.635 |
0 |
0 |
0 |
0.006 |
| Average: |
45.9 |
-4.9 |
0.635 |
0 |
0 |
0 |
0.006 |
| 14 |
19 |
|
A |
5 |
3 |
20944 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
20944 |
36.4 |
-0.0 |
0.532 |
0 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[CA]B:1593 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
21141 |
30.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.007 |
21 |
|
[CA]A:1593 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20944 |
30.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
30.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 16 |
22 |
|
[CA]A:1591 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
20944 |
26.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.008 |
23 |
|
[CA]B:1591 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
21141 |
26.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
26.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| 17 |
24 |
|
[CA]B:1592 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
21141 |
25.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.008 |
25 |
|
[CA]A:1592 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
20944 |
25.1 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
25.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| 18 |
26 |
|
[CA]B:1593 |
1 |
1 |
85 |
f |
[VO4]B:700 |
x,y,z |
1_555 |
3 |
1 |
206 |
22.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.006 |
27 |
|
[CA]A:1593 |
1 |
1 |
85 |
f |
[VO4]A:700 |
x,y,z |
1_555 |
3 |
1 |
205 |
22.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
22.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 19 |
28 |
|
[CA]A:1592 |
1 |
1 |
85 |
f |
[VO4]A:700 |
x,y,z |
1_555 |
3 |
1 |
205 |
17.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.004 |
29 |
|
[CA]B:1592 |
1 |
1 |
85 |
f |
[VO4]B:700 |
x,y,z |
1_555 |
3 |
1 |
206 |
17.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
17.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 20 |
30 |
|
[FEO]B:1594 |
3 |
1 |
211 |
f |
[CA]B:1591 |
x,y,z |
1_555 |
1 |
1 |
85 |
17.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.004 |
31 |
|
[FEO]A:1594 |
3 |
1 |
210 |
f |
[CA]A:1591 |
x,y,z |
1_555 |
1 |
1 |
85 |
17.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
17.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 21 |
32 |
|
[CA]B:1591 |
1 |
1 |
85 |
f |
[VO4]B:700 |
x,y,z |
1_555 |
2 |
1 |
206 |
16.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.003 |
33 |
|
[CA]A:1591 |
1 |
1 |
85 |
f |
[VO4]A:700 |
x,y,z |
1_555 |
2 |
1 |
205 |
15.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
15.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.003 |
| 22 |
34 |
|
[FEO]A:1594 |
2 |
1 |
210 |
f |
[CA]A:1592 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.003 |
35 |
|
[FEO]B:1594 |
2 |
1 |
211 |
f |
[CA]B:1592 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
10.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 23 |
36 |
|
B |
5 |
4 |
21141 |
x |
B |
x-1,y,z |
1_455 |
3 |
3 |
21141 |
8.9 |
0.3 |
0.708 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
B |
3 |
2 |
21141 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
3 |
21141 |
7.5 |
0.1 |
0.634 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[CA]B:1592 |
1 |
1 |
85 |
f |
[CA]B:1591 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| 26 |
39 |
|
[CA]A:1592 |
1 |
1 |
85 |
f |
[CA]A:1591 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.002 |
| 27 |
40 |
|
[CA]B:1593 |
1 |
1 |
85 |
f |
[CA]B:1592 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.002 |
| 28 |
41 |
|
[CA]A:1593 |
1 |
1 |
85 |
f |
[CA]A:1592 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.002 |
| 29 |
42 |
|
[FEO]A:1594 |
2 |
1 |
210 |
f |
[CA]A:1593 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.001 |
43 |
|
[FEO]B:1594 |
2 |
1 |
211 |
f |
[CA]B:1593 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
5.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| 30 |
44 |
|
[CA]B:1593 |
1 |
1 |
85 |
f |
[CA]B:1591 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
45 |
|
[CA]A:1593 |
1 |
1 |
85 |
f |
[CA]A:1591 |
x,y,z |
1_555 |
1 |
1 |
85 |
1.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
|