## |
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 |
184 |
47 |
14192 |
◊ |
A |
x,y,z |
1_555 |
188 |
49 |
14255 |
1825.7 |
-19.4 |
0.046 |
25 |
0 |
0 |
0.227 |
2 |
2 |
|
A |
60 |
17 |
14255 |
◊ |
B |
x,y-1,z+1 |
1_546 |
64 |
17 |
14192 |
573.3 |
-2.1 |
0.497 |
10 |
4 |
0 |
0.000 |
3 |
|
B |
60 |
15 |
14192 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
65 |
16 |
14255 |
543.7 |
-2.1 |
0.494 |
9 |
3 |
0 |
0.000 |
Average: |
558.5 |
-2.1 |
0.495 |
10 |
4 |
0 |
0.000 |
3 |
4 |
|
A |
40 |
12 |
14255 |
◊ |
B |
x-1,y+1,z |
1_465 |
35 |
15 |
14192 |
377.4 |
-4.0 |
0.217 |
4 |
3 |
0 |
0.000 |
5 |
|
B |
40 |
13 |
14192 |
◊ |
A |
x,y-1,z |
1_545 |
38 |
14 |
14255 |
366.4 |
-3.9 |
0.239 |
5 |
3 |
0 |
0.000 |
Average: |
371.9 |
-4.0 |
0.228 |
5 |
3 |
0 |
0.000 |
4 |
6 |
|
[VNP]A:602 |
19 |
1 |
604 |
f |
A |
x,y,z |
1_555 |
35 |
11 |
14255 |
230.6 |
-1.4 |
0.462 |
4 |
0 |
0 |
0.051 |
7 |
|
[VNP]B:601 |
19 |
1 |
603 |
f |
B |
x,y,z |
1_555 |
33 |
11 |
14192 |
228.8 |
-1.9 |
0.442 |
4 |
0 |
0 |
0.051 |
Average: |
229.7 |
-1.6 |
0.452 |
4 |
0 |
0 |
0.051 |
5 |
8 |
|
[VNP]B:601 |
20 |
1 |
603 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
14255 |
212.7 |
2.1 |
0.755 |
6 |
0 |
0 |
0.009 |
9 |
|
[VNP]A:602 |
20 |
1 |
604 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
14192 |
212.2 |
2.0 |
0.751 |
6 |
0 |
0 |
0.009 |
Average: |
212.4 |
2.1 |
0.753 |
6 |
0 |
0 |
0.009 |
6 |
10 |
|
[PO4]A:707 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14255 |
72.2 |
-3.1 |
0.885 |
1 |
0 |
0 |
0.027 |
7 |
11 |
|
[PO4]B:708 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14192 |
70.9 |
-3.8 |
0.783 |
0 |
0 |
0 |
0.028 |
8 |
12 |
|
[CL]B:706 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
14192 |
64.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.141 |
13 |
|
[CL]A:705 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14255 |
64.2 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.141 |
Average: |
64.5 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.141 |
9 |
14 |
|
[VNP]B:601 |
6 |
1 |
603 |
f |
[PO4]B:708 |
x,y,z |
1_555 |
4 |
1 |
186 |
42.4 |
-1.8 |
0.769 |
0 |
0 |
0 |
0.014 |
10 |
15 |
|
[VNP]A:602 |
5 |
1 |
604 |
f |
[PO4]A:707 |
x,y,z |
1_555 |
4 |
1 |
187 |
41.8 |
-1.9 |
0.767 |
0 |
0 |
0 |
0.014 |
11 |
16 |
|
[MG]B:701 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14192 |
35.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.085 |
17 |
|
[MG]A:702 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14255 |
34.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
34.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.085 |
12 |
18 |
|
[MG]A:801 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
14255 |
33.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.080 |
19 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
14192 |
33.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
33.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.080 |
13 |
20 |
|
[PO4]B:708 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
14255 |
31.7 |
-0.8 |
0.937 |
2 |
0 |
0 |
0.012 |
14 |
21 |
|
[PO4]A:707 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
14192 |
31.3 |
-0.7 |
0.934 |
1 |
0 |
0 |
0.008 |
15 |
22 |
|
A |
4 |
2 |
14255 |
◊ |
[CL]B:706 |
x-1,y+1,z |
1_465 |
1 |
1 |
125 |
31.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
4 |
2 |
14192 |
◊ |
[CL]A:705 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
30.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[MG]B:703 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
14192 |
26.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.037 |
25 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14255 |
26.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
26.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.037 |
17 |
26 |
|
[VNP]B:601 |
7 |
1 |
603 |
f |
[MG]B:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.048 |
27 |
|
[VNP]A:602 |
6 |
1 |
604 |
f |
[MG]A:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
25.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.048 |
18 |
28 |
|
[VNP]B:601 |
6 |
1 |
603 |
f |
[MG]B:802 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.043 |
29 |
|
[VNP]A:602 |
6 |
1 |
604 |
f |
[MG]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
23.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.043 |
19 |
30 |
|
[VNP]B:601 |
4 |
1 |
603 |
f |
[MG]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.049 |
31 |
|
[VNP]A:602 |
4 |
1 |
604 |
f |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
23.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.049 |
20 |
32 |
|
[PO4]B:708 |
4 |
1 |
186 |
f |
[MG]B:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.020 |
21 |
33 |
|
[PO4]A:707 |
4 |
1 |
187 |
f |
[MG]A:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.020 |
22 |
34 |
|
[MG]B:703 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14255 |
11.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
35 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14192 |
10.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
11.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
23 |
36 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.016 |
24 |
37 |
|
[MG]B:703 |
1 |
1 |
98 |
f |
[MG]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.015 |
25 |
38 |
|
[PO4]B:708 |
3 |
1 |
186 |
f |
[MG]B:802 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.009 |
26 |
39 |
|
[PO4]A:707 |
3 |
1 |
187 |
f |
[MG]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.009 |
27 |
40 |
|
[MG]A:801 |
1 |
1 |
98 |
f |
[MG]A:704 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.009 |
28 |
41 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
[MG]B:703 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.009 |
29 |
42 |
|
[MG]A:801 |
1 |
1 |
98 |
f |
[MG]A:702 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.009 |
30 |
43 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
[MG]B:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
|