## |
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 |
|
C |
187 |
47 |
10659 |
◊ |
B |
x,y,z |
1_555 |
186 |
48 |
10663 |
1793.7 |
-17.4 |
0.141 |
26 |
8 |
0 |
0.587 |
2 |
|
H |
185 |
46 |
10593 |
◊ |
E |
x,y,z |
1_555 |
188 |
47 |
10688 |
1780.9 |
-19.2 |
0.103 |
23 |
8 |
0 |
0.587 |
3 |
|
G |
186 |
47 |
10674 |
◊ |
F |
x,y,z |
1_555 |
187 |
47 |
10498 |
1769.8 |
-20.1 |
0.078 |
23 |
8 |
0 |
0.587 |
4 |
|
D |
185 |
45 |
10595 |
◊ |
A |
x,y,z |
1_555 |
192 |
47 |
10657 |
1767.6 |
-19.2 |
0.104 |
25 |
8 |
0 |
0.587 |
Average: |
1778.0 |
-19.0 |
0.106 |
24 |
8 |
0 |
0.587 |
2 |
5 |
|
H |
125 |
31 |
10593 |
◊ |
G |
x,y,z |
1_555 |
119 |
32 |
10674 |
1056.5 |
-8.6 |
0.314 |
17 |
0 |
0 |
0.471 |
6 |
|
D |
126 |
33 |
10595 |
◊ |
C |
x,y,z |
1_555 |
122 |
33 |
10659 |
1053.3 |
-9.7 |
0.268 |
17 |
0 |
0 |
0.471 |
7 |
|
F |
118 |
30 |
10498 |
◊ |
E |
x,y,z |
1_555 |
121 |
32 |
10688 |
1043.7 |
-9.1 |
0.286 |
17 |
0 |
0 |
0.471 |
8 |
|
B |
128 |
31 |
10663 |
◊ |
A |
x,y,z |
1_555 |
120 |
30 |
10657 |
1016.8 |
-8.9 |
0.313 |
15 |
0 |
0 |
0.471 |
Average: |
1042.6 |
-9.1 |
0.295 |
17 |
0 |
0 |
0.471 |
3 |
9 |
|
C |
46 |
15 |
10659 |
◊ |
G |
x-1,y,z-1 |
1_454 |
37 |
12 |
10674 |
379.5 |
2.0 |
0.809 |
3 |
0 |
0 |
0.000 |
4 |
10 |
|
H |
39 |
11 |
10593 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
44 |
13 |
10498 |
361.0 |
0.9 |
0.753 |
5 |
1 |
0 |
0.000 |
11 |
|
B |
42 |
12 |
10663 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
40 |
11 |
10595 |
337.9 |
-0.9 |
0.606 |
3 |
1 |
0 |
0.000 |
Average: |
349.5 |
0.0 |
0.679 |
4 |
1 |
0 |
0.000 |
5 |
12 |
|
E |
36 |
8 |
10688 |
◊ |
B |
x,y,z |
1_555 |
40 |
8 |
10663 |
354.2 |
-0.1 |
0.665 |
3 |
0 |
0 |
0.000 |
6 |
13 |
|
C |
34 |
12 |
10659 |
◊ |
F |
x,y,z-1 |
1_554 |
31 |
12 |
10498 |
270.3 |
-0.1 |
0.658 |
1 |
0 |
0 |
0.000 |
7 |
14 |
|
C |
36 |
14 |
10659 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
34 |
13 |
10595 |
262.9 |
0.6 |
0.632 |
2 |
0 |
0 |
0.000 |
8 |
15 |
|
E |
33 |
13 |
10688 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
35 |
12 |
10498 |
261.5 |
-1.2 |
0.539 |
1 |
0 |
0 |
0.000 |
9 |
16 |
|
C |
32 |
9 |
10659 |
◊ |
A |
x-1,y,z |
1_455 |
29 |
11 |
10657 |
229.2 |
-0.3 |
0.618 |
3 |
1 |
0 |
0.000 |
17 |
|
E |
24 |
7 |
10688 |
◊ |
G |
x-1,y,z |
1_455 |
25 |
8 |
10674 |
220.0 |
-0.9 |
0.477 |
1 |
1 |
0 |
0.000 |
Average: |
224.6 |
-0.6 |
0.547 |
2 |
1 |
0 |
0.000 |
10 |
18 |
|
B |
19 |
8 |
10663 |
◊ |
G |
x,y,z-1 |
1_554 |
18 |
5 |
10674 |
166.6 |
-0.9 |
0.488 |
1 |
0 |
0 |
0.000 |
11 |
19 |
|
H |
23 |
7 |
10593 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
10663 |
165.7 |
-0.5 |
0.598 |
2 |
2 |
0 |
0.000 |
20 |
|
E |
15 |
3 |
10688 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
10659 |
132.6 |
-0.9 |
0.394 |
1 |
0 |
0 |
0.000 |
Average: |
149.1 |
-0.7 |
0.496 |
2 |
1 |
0 |
0.000 |
12 |
21 |
|
H |
18 |
6 |
10593 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
6 |
10657 |
124.1 |
-1.4 |
0.419 |
2 |
0 |
0 |
0.000 |
13 |
22 |
|
G |
13 |
6 |
10674 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10657 |
102.1 |
-0.2 |
0.586 |
0 |
0 |
0 |
0.000 |
23 |
|
F |
7 |
3 |
10498 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
10595 |
69.5 |
-1.1 |
0.258 |
0 |
0 |
0 |
0.000 |
Average: |
85.8 |
-0.7 |
0.422 |
0 |
0 |
0 |
0.000 |
14 |
24 |
|
[PO4]H:2014 |
5 |
1 |
188 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
10593 |
72.1 |
-3.4 |
0.872 |
1 |
0 |
0 |
0.073 |
25 |
|
[PO4]B:2010 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
10663 |
69.4 |
-3.3 |
0.871 |
1 |
0 |
0 |
0.073 |
Average: |
70.7 |
-3.3 |
0.871 |
1 |
0 |
0 |
0.073 |
15 |
26 |
|
[PO4]E:2013 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
10593 |
70.9 |
-4.3 |
0.687 |
3 |
0 |
0 |
0.142 |
16 |
27 |
|
[PO4]D:2012 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
10595 |
68.4 |
-3.3 |
0.863 |
1 |
0 |
0 |
0.088 |
17 |
28 |
|
[PO4]G:2016 |
5 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
10 |
4 |
10674 |
67.9 |
-3.1 |
0.875 |
0 |
0 |
0 |
0.048 |
18 |
29 |
|
[PO4]A:2009 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
10657 |
67.5 |
-3.2 |
0.874 |
0 |
0 |
0 |
0.048 |
19 |
30 |
|
[PO4]F:2015 |
5 |
1 |
188 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
10498 |
65.4 |
-3.2 |
0.874 |
0 |
0 |
0 |
0.049 |
20 |
31 |
|
[PO4]B:2011 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
10659 |
64.4 |
-2.8 |
0.903 |
1 |
0 |
0 |
0.064 |
21 |
32 |
|
[PO4]A:2009 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
10595 |
59.0 |
-3.6 |
0.564 |
1 |
0 |
0 |
0.096 |
22 |
33 |
|
A |
8 |
3 |
10657 |
◊ |
G |
x,y,z-1 |
1_554 |
9 |
4 |
10674 |
57.8 |
0.3 |
0.677 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[PO4]A:2004 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
10657 |
56.9 |
-2.9 |
0.741 |
1 |
0 |
0 |
0.102 |
35 |
|
[PO4]G:2006 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
9 |
3 |
10674 |
51.9 |
-3.0 |
0.691 |
1 |
0 |
0 |
0.102 |
Average: |
54.4 |
-2.9 |
0.716 |
1 |
0 |
0 |
0.102 |
24 |
36 |
|
[PO4]B:2010 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
10659 |
56.1 |
-3.5 |
0.488 |
1 |
0 |
0 |
0.100 |
37 |
|
[PO4]H:2014 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
10688 |
50.5 |
-3.1 |
0.499 |
1 |
0 |
0 |
0.100 |
Average: |
53.3 |
-3.3 |
0.494 |
1 |
0 |
0 |
0.100 |
25 |
38 |
|
[PO4]B:2011 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
10663 |
55.9 |
-3.5 |
0.526 |
1 |
0 |
0 |
0.120 |
26 |
39 |
|
[PO4]F:2007 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
10498 |
55.4 |
-3.1 |
0.616 |
1 |
0 |
0 |
0.094 |
27 |
40 |
|
[PO4]B:2002 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
10663 |
55.3 |
-3.2 |
0.624 |
1 |
0 |
0 |
0.109 |
28 |
41 |
|
[PO4]H:2005 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
9 |
3 |
10593 |
55.2 |
-3.2 |
0.634 |
1 |
0 |
0 |
0.091 |
29 |
42 |
|
[PO4]F:2008 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
10498 |
54.3 |
-3.0 |
0.711 |
1 |
0 |
0 |
0.092 |
43 |
|
[PO4]D:2003 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
10595 |
52.7 |
-3.0 |
0.692 |
1 |
0 |
0 |
0.092 |
Average: |
53.5 |
-3.0 |
0.702 |
1 |
0 |
0 |
0.092 |
30 |
44 |
|
[PO4]A:2001 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
10595 |
53.3 |
-3.0 |
0.623 |
1 |
0 |
0 |
0.081 |
31 |
45 |
|
[PO4]E:2013 |
5 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
10688 |
53.1 |
-2.0 |
0.925 |
1 |
0 |
0 |
0.047 |
32 |
46 |
|
[PO4]A:2004 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
10663 |
52.9 |
-2.9 |
0.702 |
1 |
0 |
0 |
0.102 |
47 |
|
[PO4]G:2006 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
10593 |
51.7 |
-3.0 |
0.700 |
1 |
0 |
0 |
0.102 |
Average: |
52.3 |
-2.9 |
0.701 |
1 |
0 |
0 |
0.102 |
33 |
48 |
|
[PO4]A:2001 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
10657 |
51.3 |
-2.6 |
0.736 |
0 |
0 |
0 |
0.039 |
34 |
49 |
|
[PO4]D:2012 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10657 |
51.2 |
-3.2 |
0.495 |
1 |
0 |
0 |
0.055 |
35 |
50 |
|
[PO4]D:2003 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
10659 |
51.0 |
-2.8 |
0.703 |
1 |
0 |
0 |
0.091 |
51 |
|
[PO4]F:2008 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
10688 |
49.7 |
-3.0 |
0.652 |
1 |
0 |
0 |
0.091 |
Average: |
50.3 |
-2.9 |
0.678 |
1 |
0 |
0 |
0.091 |
36 |
52 |
|
[PO4]F:2015 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
10674 |
50.4 |
-3.2 |
0.545 |
1 |
0 |
0 |
0.092 |
37 |
53 |
|
[PO4]G:2016 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
6 |
2 |
10498 |
49.1 |
-3.0 |
0.557 |
1 |
0 |
0 |
0.091 |
38 |
54 |
|
[PO4]B:2002 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
10659 |
48.2 |
-2.6 |
0.656 |
0 |
0 |
0 |
0.051 |
39 |
55 |
|
[PO4]F:2007 |
4 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
10674 |
46.9 |
-2.6 |
0.647 |
0 |
0 |
0 |
0.040 |
40 |
56 |
|
[PO4]H:2005 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
10688 |
44.2 |
-2.5 |
0.611 |
0 |
0 |
0 |
0.048 |
41 |
57 |
|
[PO4]H:2005 |
4 |
1 |
187 |
◊ |
[PO4]G:2006 |
x,y,z |
1_555 |
4 |
1 |
186 |
30.2 |
-2.9 |
0.973 |
0 |
0 |
0 |
0.072 |
42 |
58 |
|
[PO4]F:2008 |
4 |
1 |
185 |
f |
[PO4]F:2007 |
x,y,z |
1_555 |
4 |
1 |
187 |
29.9 |
-2.8 |
0.973 |
0 |
0 |
0 |
0.074 |
43 |
59 |
|
[PO4]D:2003 |
4 |
1 |
185 |
f |
[PO4]A:2001 |
x,y,z |
1_555 |
4 |
1 |
185 |
29.3 |
-2.7 |
0.973 |
0 |
0 |
0 |
0.064 |
44 |
60 |
|
[PO4]B:2002 |
4 |
1 |
187 |
◊ |
[PO4]A:2004 |
x,y,z |
1_555 |
4 |
1 |
186 |
29.1 |
-2.7 |
0.973 |
0 |
0 |
0 |
0.083 |
45 |
61 |
|
[PO4]G:2016 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
10657 |
28.8 |
-0.3 |
0.961 |
2 |
0 |
0 |
0.000 |
46 |
62 |
|
H |
3 |
1 |
10593 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
10595 |
27.7 |
-0.7 |
0.212 |
0 |
0 |
0 |
0.000 |
47 |
63 |
|
[PO4]G:2006 |
4 |
1 |
186 |
◊ |
[PO4]F:2007 |
x,y,z |
1_555 |
4 |
1 |
187 |
26.4 |
-2.4 |
0.973 |
0 |
0 |
0 |
0.037 |
48 |
64 |
|
[PO4]H:2005 |
4 |
1 |
187 |
◊ |
[PO4]F:2008 |
x,y,z |
1_555 |
4 |
1 |
185 |
26.3 |
-2.4 |
0.973 |
0 |
0 |
0 |
0.015 |
49 |
65 |
|
[PO4]A:2004 |
4 |
1 |
186 |
◊ |
[PO4]A:2001 |
x,y,z |
1_555 |
4 |
1 |
185 |
25.5 |
-2.4 |
0.973 |
0 |
0 |
0 |
0.036 |
50 |
66 |
|
[PO4]D:2003 |
4 |
1 |
185 |
◊ |
[PO4]B:2002 |
x,y,z |
1_555 |
4 |
1 |
187 |
25.4 |
-2.4 |
0.973 |
0 |
0 |
0 |
0.015 |
51 |
67 |
|
[PO4]G:2006 |
3 |
1 |
186 |
◊ |
[PO4]F:2008 |
x,y,z |
1_555 |
3 |
1 |
185 |
22.7 |
-2.1 |
0.992 |
0 |
0 |
0 |
0.032 |
68 |
|
[PO4]D:2003 |
3 |
1 |
185 |
◊ |
[PO4]A:2004 |
x,y,z |
1_555 |
3 |
1 |
186 |
21.9 |
-2.0 |
0.992 |
0 |
0 |
0 |
0.032 |
Average: |
22.3 |
-2.1 |
0.992 |
0 |
0 |
0 |
0.032 |
52 |
69 |
|
G |
4 |
3 |
10674 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
10688 |
21.5 |
0.3 |
0.738 |
0 |
0 |
0 |
0.000 |
70 |
|
H |
5 |
3 |
10593 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
10498 |
20.4 |
0.3 |
0.730 |
0 |
0 |
0 |
0.000 |
71 |
|
C |
4 |
3 |
10659 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
10657 |
19.8 |
0.3 |
0.743 |
0 |
0 |
0 |
0.000 |
72 |
|
D |
4 |
3 |
10595 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
10663 |
18.1 |
0.3 |
0.736 |
0 |
0 |
0 |
0.000 |
Average: |
20.0 |
0.3 |
0.737 |
0 |
0 |
0 |
0.000 |
53 |
73 |
|
H |
1 |
1 |
10593 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
10674 |
16.9 |
0.6 |
0.855 |
0 |
0 |
0 |
0.000 |
54 |
74 |
|
E |
3 |
2 |
10688 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
10595 |
13.4 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
75 |
|
G |
2 |
1 |
10674 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
10663 |
10.4 |
0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
Average: |
11.9 |
0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
55 |
76 |
|
[PO4]H:2005 |
1 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
10674 |
12.3 |
-0.5 |
0.835 |
1 |
0 |
0 |
0.024 |
56 |
77 |
|
[PO4]F:2007 |
1 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
10688 |
11.9 |
-0.5 |
0.835 |
1 |
0 |
0 |
0.025 |
57 |
78 |
|
[PO4]B:2002 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10657 |
11.1 |
-0.5 |
0.833 |
0 |
0 |
0 |
0.014 |
58 |
79 |
|
[PO4]A:2001 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10659 |
10.9 |
-0.4 |
0.833 |
0 |
0 |
0 |
0.010 |
59 |
80 |
|
C |
4 |
2 |
10659 |
◊ |
G |
x,y,z-1 |
1_554 |
2 |
2 |
10674 |
9.9 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
60 |
81 |
|
[PO4]D:2003 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10657 |
5.9 |
-0.2 |
0.810 |
0 |
0 |
0 |
0.003 |
61 |
82 |
|
[PO4]B:2002 |
1 |
1 |
187 |
◊ |
[PO4]A:2001 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.6 |
-0.5 |
0.800 |
0 |
0 |
0 |
0.003 |
62 |
83 |
|
[PO4]H:2005 |
1 |
1 |
187 |
◊ |
[PO4]F:2007 |
x,y,z |
1_555 |
1 |
1 |
187 |
4.5 |
-0.5 |
0.800 |
0 |
0 |
0 |
0.003 |
63 |
84 |
|
[PO4]H:2005 |
1 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
10498 |
4.4 |
-0.2 |
0.797 |
0 |
0 |
0 |
0.001 |
64 |
85 |
|
[PO4]B:2002 |
1 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
10595 |
4.4 |
-0.2 |
0.802 |
0 |
0 |
0 |
0.001 |
65 |
86 |
|
C |
1 |
1 |
10659 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
10657 |
4.3 |
0.2 |
0.803 |
0 |
0 |
0 |
0.000 |
66 |
87 |
|
[PO4]A:2001 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10663 |
4.3 |
-0.2 |
0.799 |
0 |
0 |
0 |
0.000 |
67 |
88 |
|
[PO4]F:2007 |
1 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
10593 |
4.2 |
-0.2 |
0.796 |
0 |
0 |
0 |
0.000 |
68 |
89 |
|
B |
1 |
1 |
10663 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
10595 |
3.6 |
0.1 |
0.798 |
0 |
0 |
0 |
0.000 |
69 |
90 |
|
B |
1 |
1 |
10663 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
10657 |
2.6 |
0.1 |
0.733 |
0 |
0 |
0 |
0.000 |
|