## |
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 |
|
[SRM]A:702 |
60 |
1 |
1035 |
f |
A |
x,y,z |
1_555 |
97 |
38 |
22288 |
748.8 |
-17.1 |
0.738 |
20 |
0 |
0 |
0.036 |
2 |
|
[SRM]B:702 |
60 |
1 |
1038 |
f |
B |
x,y,z |
1_555 |
99 |
38 |
22573 |
747.9 |
-17.4 |
0.743 |
20 |
0 |
0 |
0.036 |
Average: |
748.4 |
-17.3 |
0.741 |
20 |
0 |
0 |
0.036 |
2 |
3 |
|
B |
75 |
25 |
22573 |
◊ |
A |
x,y,z |
1_555 |
82 |
26 |
22288 |
711.6 |
2.8 |
0.878 |
10 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
67 |
21 |
4897 |
◊ |
A |
x,y,z |
1_555 |
53 |
21 |
22288 |
558.8 |
2.1 |
0.734 |
8 |
3 |
0 |
0.000 |
4 |
5 |
|
B |
43 |
16 |
22573 |
◊ |
C |
x,y-1,z |
1_545 |
50 |
15 |
4897 |
420.4 |
-0.6 |
0.557 |
4 |
2 |
0 |
0.000 |
5 |
6 |
|
A |
42 |
14 |
22288 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
48 |
14 |
22288 |
384.9 |
-1.1 |
0.594 |
3 |
1 |
0 |
0.000 |
7 |
|
B |
41 |
12 |
22573 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
36 |
12 |
22573 |
340.6 |
0.6 |
0.739 |
3 |
2 |
0 |
0.000 |
Average: |
362.8 |
-0.2 |
0.666 |
3 |
2 |
0 |
0.000 |
6 |
8 |
|
A |
41 |
12 |
22288 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
40 |
17 |
22573 |
378.5 |
-0.1 |
0.684 |
6 |
3 |
0 |
0.000 |
7 |
9 |
|
B |
26 |
10 |
22573 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
24 |
6 |
22288 |
211.4 |
1.5 |
0.817 |
3 |
1 |
0 |
0.000 |
10 |
|
B |
12 |
4 |
22573 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
9 |
22288 |
118.1 |
0.9 |
0.769 |
1 |
0 |
0 |
0.000 |
Average: |
164.8 |
1.2 |
0.793 |
2 |
1 |
0 |
0.000 |
8 |
11 |
|
B |
24 |
6 |
22573 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
27 |
9 |
22573 |
201.0 |
-2.1 |
0.380 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[SF4]A:701 |
8 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
22288 |
153.7 |
-17.1 |
0.158 |
2 |
0 |
0 |
0.025 |
13 |
|
[SF4]B:701 |
8 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
22573 |
150.9 |
-16.7 |
0.190 |
2 |
0 |
0 |
0.025 |
Average: |
152.3 |
-16.9 |
0.174 |
2 |
0 |
0 |
0.025 |
10 |
14 |
|
C |
13 |
6 |
4897 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
16 |
5 |
22573 |
148.6 |
-1.2 |
0.384 |
1 |
1 |
0 |
0.000 |
11 |
15 |
|
[FES]C:101 |
4 |
1 |
236 |
f |
C |
x,y,z |
1_555 |
14 |
10 |
4897 |
125.0 |
-17.2 |
0.553 |
1 |
0 |
0 |
0.100 |
12 |
16 |
|
[PO4]B:703 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
22573 |
86.7 |
-4.3 |
0.798 |
5 |
0 |
0 |
0.009 |
17 |
|
[PO4]A:703 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
22288 |
85.3 |
-4.3 |
0.796 |
5 |
0 |
0 |
0.009 |
Average: |
86.0 |
-4.3 |
0.797 |
5 |
0 |
0 |
0.009 |
13 |
18 |
|
A |
10 |
3 |
22288 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
8 |
4 |
22288 |
83.3 |
-1.1 |
0.341 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[SRM]A:702 |
19 |
1 |
1035 |
f |
[SF4]A:701 |
x,y,z |
1_555 |
5 |
1 |
309 |
77.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.009 |
20 |
|
[SRM]B:702 |
20 |
1 |
1038 |
f |
[SF4]B:701 |
x,y,z |
1_555 |
5 |
1 |
307 |
75.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
76.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.009 |
15 |
21 |
|
[PO4]A:703 |
5 |
1 |
188 |
f |
[SRM]A:702 |
x,y,z |
1_555 |
24 |
1 |
1035 |
69.1 |
-5.6 |
0.967 |
0 |
0 |
0 |
0.008 |
16 |
22 |
|
[PO4]B:703 |
5 |
1 |
189 |
cf |
[SRM]B:702 |
x,y,z |
1_555 |
23 |
1 |
1038 |
68.5 |
-5.6 |
0.967 |
0 |
0 |
0 |
0.008 |
17 |
23 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
10 |
22288 |
60.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.013 |
24 |
|
[MG]B:704 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
10 |
22573 |
59.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
60.3 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.013 |
18 |
25 |
|
[PO4]B:703 |
1 |
1 |
189 |
f |
[SF4]B:701 |
x,y,z |
1_555 |
1 |
1 |
307 |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|