## |
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 |
75 |
21 |
16779 |
◊ |
A |
x,y,z-1 |
1_554 |
70 |
21 |
17006 |
732.7 |
-10.2 |
0.070 |
7 |
0 |
0 |
0.017 |
2 |
|
B |
71 |
20 |
17781 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
70 |
21 |
16902 |
726.2 |
-9.3 |
0.107 |
7 |
0 |
0 |
0.017 |
Average: |
729.5 |
-9.8 |
0.089 |
7 |
0 |
0 |
0.017 |
2 |
3 |
|
B |
81 |
22 |
17781 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
59 |
20 |
16779 |
632.3 |
-1.0 |
0.683 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
D |
73 |
23 |
16779 |
◊ |
A |
x,y,z |
1_555 |
63 |
16 |
17006 |
617.0 |
1.8 |
0.846 |
8 |
9 |
0 |
0.000 |
5 |
|
B |
61 |
18 |
17781 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
50 |
16 |
16902 |
502.1 |
1.7 |
0.838 |
9 |
9 |
0 |
0.000 |
Average: |
559.5 |
1.7 |
0.842 |
9 |
9 |
0 |
0.000 |
4 |
6 |
|
C |
57 |
17 |
16902 |
◊ |
A |
x,y,z |
1_555 |
65 |
19 |
17006 |
552.4 |
-2.0 |
0.546 |
4 |
1 |
0 |
0.000 |
5 |
7 |
|
C |
60 |
23 |
16902 |
◊ |
A |
x-1,y,z |
1_455 |
50 |
19 |
17006 |
494.1 |
-1.0 |
0.612 |
9 |
4 |
0 |
0.000 |
6 |
8 |
|
B |
46 |
15 |
17781 |
◊ |
A |
x-1,y,z |
1_455 |
43 |
14 |
17006 |
404.0 |
-2.1 |
0.505 |
4 |
1 |
0 |
0.000 |
7 |
9 |
|
B |
49 |
15 |
17781 |
◊ |
D |
x-1,y,z |
1_455 |
42 |
11 |
16779 |
399.7 |
-1.8 |
0.546 |
8 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
38 |
12 |
17781 |
◊ |
A |
x,y,z |
1_555 |
36 |
10 |
17006 |
332.4 |
0.1 |
0.671 |
6 |
0 |
0 |
0.000 |
9 |
11 |
|
C |
32 |
10 |
16902 |
◊ |
B |
x,y,z |
1_555 |
36 |
15 |
17781 |
303.5 |
0.4 |
0.729 |
5 |
3 |
0 |
0.000 |
10 |
12 |
|
D |
26 |
8 |
16779 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
28 |
6 |
16902 |
259.2 |
-0.4 |
0.610 |
5 |
1 |
0 |
0.000 |
11 |
13 |
|
[PO4]C:502 |
5 |
1 |
194 |
f |
C |
x,y,z |
1_555 |
26 |
13 |
16902 |
131.1 |
-7.8 |
0.774 |
6 |
0 |
0 |
0.040 |
12 |
14 |
|
[PO4]A:502 |
5 |
1 |
194 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
17006 |
130.2 |
-7.6 |
0.769 |
6 |
0 |
0 |
0.040 |
13 |
15 |
|
[GOL]D:501 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
16779 |
119.9 |
-0.1 |
0.609 |
7 |
0 |
0 |
0.012 |
16 |
|
[GOL]C:501 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
16902 |
119.9 |
-0.1 |
0.567 |
7 |
0 |
0 |
0.012 |
17 |
|
[GOL]A:501 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
17006 |
119.2 |
-0.1 |
0.602 |
7 |
0 |
0 |
0.012 |
18 |
|
[GOL]B:501 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
17781 |
118.1 |
-0.1 |
0.611 |
7 |
0 |
0 |
0.012 |
Average: |
119.3 |
-0.1 |
0.597 |
7 |
0 |
0 |
0.012 |
14 |
19 |
|
[BA]B:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
17781 |
114.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.022 |
20 |
|
[BA]D:502 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
24 |
10 |
16779 |
109.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
111.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.022 |
15 |
21 |
|
B |
14 |
3 |
17781 |
x |
B |
-x,y-1/2,-z |
2_545 |
13 |
4 |
17781 |
113.0 |
-0.7 |
0.510 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[PO4]D:503 |
5 |
1 |
194 |
f |
D |
x,y,z |
1_555 |
23 |
13 |
16779 |
104.7 |
-6.7 |
0.780 |
6 |
0 |
0 |
0.025 |
17 |
23 |
|
[PO4]B:503 |
5 |
1 |
194 |
f |
B |
x,y,z |
1_555 |
24 |
14 |
17781 |
104.3 |
-6.6 |
0.774 |
6 |
0 |
0 |
0.021 |
18 |
24 |
|
[CL]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
16902 |
76.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.048 |
25 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
17781 |
75.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.048 |
26 |
|
[CL]D:504 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
16779 |
75.2 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.048 |
27 |
|
[CL]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
17006 |
75.2 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
75.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.048 |
19 |
28 |
|
[CL]B:505 |
1 |
1 |
125 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
7 |
4 |
16779 |
50.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17781 |
50.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.014 |
21 |
30 |
|
[BA]D:502 |
1 |
1 |
216 |
f |
[PO4]D:503 |
x,y,z |
1_555 |
4 |
1 |
194 |
41.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.011 |
22 |
31 |
|
[BA]B:502 |
1 |
1 |
216 |
f |
[PO4]B:503 |
x,y,z |
1_555 |
4 |
1 |
194 |
41.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.009 |
23 |
32 |
|
B |
4 |
3 |
17781 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
3 |
16779 |
32.1 |
-1.0 |
0.205 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
B |
1 |
1 |
17781 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
17006 |
8.2 |
0.1 |
0.737 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
D |
1 |
1 |
16779 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
17006 |
5.1 |
0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[GOL]B:501 |
1 |
1 |
219 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
16902 |
4.1 |
0.2 |
0.657 |
0 |
0 |
0 |
0.000 |
|