## |
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 |
311 |
76 |
20248 |
◊ |
A |
-x,y,-z |
2_555 |
304 |
75 |
20247 |
2968.9 |
-36.3 |
0.023 |
37 |
2 |
0 |
0.179 |
2 |
2 |
|
C |
197 |
55 |
20248 |
◊ |
A |
x,y,z |
1_555 |
197 |
55 |
20247 |
1751.7 |
-4.0 |
0.746 |
24 |
7 |
0 |
0.053 |
3 |
3 |
|
C |
66 |
19 |
20248 |
◊ |
C |
-x,y,-z-1 |
2_554 |
66 |
19 |
20248 |
652.9 |
-5.7 |
0.361 |
2 |
0 |
0 |
0.000 |
4 |
4 |
|
[NAD]A:501 |
42 |
1 |
853 |
f |
A |
x,y,z |
1_555 |
69 |
31 |
20247 |
497.2 |
-5.5 |
0.471 |
12 |
0 |
0 |
0.075 |
5 |
|
[NAD]C:501 |
41 |
1 |
854 |
f |
C |
x,y,z |
1_555 |
71 |
31 |
20248 |
496.5 |
-6.0 |
0.416 |
12 |
0 |
0 |
0.075 |
Average: |
496.9 |
-5.7 |
0.444 |
12 |
0 |
0 |
0.075 |
5 |
6 |
|
A |
48 |
16 |
20247 |
◊ |
A |
-x,y,-z |
2_555 |
47 |
16 |
20247 |
399.3 |
-5.3 |
0.224 |
0 |
0 |
0 |
0.016 |
7 |
|
C |
47 |
16 |
20248 |
◊ |
C |
-x,y,-z |
2_555 |
47 |
16 |
20248 |
387.9 |
-5.9 |
0.187 |
0 |
0 |
0 |
0.016 |
Average: |
393.6 |
-5.6 |
0.205 |
0 |
0 |
0 |
0.016 |
6 |
8 |
|
A |
42 |
13 |
20247 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
43 |
15 |
20248 |
330.2 |
-1.6 |
0.582 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
[3AD]A:502 |
17 |
1 |
416 |
f |
A |
x,y,z |
1_555 |
43 |
19 |
20247 |
215.8 |
1.7 |
0.421 |
7 |
0 |
0 |
0.010 |
10 |
|
[3AD]C:502 |
17 |
1 |
414 |
f |
C |
x,y,z |
1_555 |
43 |
19 |
20248 |
214.9 |
1.6 |
0.427 |
7 |
0 |
0 |
0.010 |
Average: |
215.3 |
1.6 |
0.424 |
7 |
0 |
0 |
0.010 |
8 |
11 |
|
[NAD]C:501 |
15 |
1 |
854 |
◊ |
A |
-x,y,-z |
2_555 |
17 |
7 |
20247 |
154.7 |
-1.9 |
0.509 |
3 |
0 |
0 |
0.022 |
12 |
|
[NAD]A:501 |
15 |
1 |
853 |
◊ |
C |
-x,y,-z |
2_555 |
17 |
7 |
20248 |
154.1 |
-1.8 |
0.517 |
3 |
0 |
0 |
0.022 |
Average: |
154.4 |
-1.9 |
0.513 |
3 |
0 |
0 |
0.022 |
9 |
13 |
|
[K]A:503 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
20247 |
100.5 |
-76.1 |
0.000 |
0 |
0 |
0 |
0.515 |
14 |
|
[K]C:503 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
20248 |
100.5 |
-76.1 |
0.000 |
0 |
0 |
0 |
0.515 |
Average: |
100.5 |
-76.1 |
0.000 |
0 |
0 |
0 |
0.515 |
10 |
15 |
|
C |
8 |
4 |
20248 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
5 |
20248 |
88.3 |
0.2 |
0.699 |
1 |
0 |
0 |
0.000 |
16 |
|
A |
12 |
5 |
20247 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
8 |
4 |
20247 |
87.9 |
0.2 |
0.678 |
1 |
0 |
0 |
0.000 |
Average: |
88.1 |
0.2 |
0.688 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
[PO4]A:505 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20247 |
86.8 |
-5.9 |
0.632 |
1 |
0 |
0 |
0.022 |
12 |
18 |
|
[PO4]C:505 |
5 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
20248 |
86.5 |
-5.8 |
0.653 |
1 |
0 |
0 |
0.021 |
13 |
19 |
|
[3AD]C:502 |
5 |
1 |
414 |
f |
[NAD]C:501 |
x,y,z |
1_555 |
11 |
1 |
854 |
59.0 |
1.4 |
0.633 |
0 |
0 |
0 |
0.000 |
20 |
|
[3AD]A:502 |
5 |
1 |
416 |
f |
[NAD]A:501 |
x,y,z |
1_555 |
11 |
1 |
853 |
58.8 |
1.4 |
0.629 |
0 |
0 |
0 |
0.000 |
Average: |
58.9 |
1.4 |
0.631 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
20248 |
45.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.048 |
22 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20247 |
45.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
45.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.048 |
15 |
23 |
|
[PO4]C:505 |
3 |
1 |
190 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20247 |
40.0 |
-2.2 |
0.549 |
1 |
0 |
0 |
0.009 |
16 |
24 |
|
[PO4]A:505 |
3 |
1 |
191 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
20248 |
39.5 |
-2.1 |
0.582 |
1 |
0 |
0 |
0.009 |
17 |
25 |
|
[K]C:503 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
20247 |
39.2 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.133 |
26 |
|
[K]A:503 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
20248 |
38.9 |
-19.7 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
39.0 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.133 |
18 |
27 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
[NAD]C:501 |
x,y,z |
1_555 |
5 |
1 |
854 |
34.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.031 |
28 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
[NAD]A:501 |
x,y,z |
1_555 |
5 |
1 |
853 |
34.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
34.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.031 |
19 |
29 |
|
[K]A:503 |
1 |
1 |
216 |
f |
[3AD]A:502 |
x,y,z |
1_555 |
2 |
1 |
416 |
27.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.079 |
30 |
|
[K]C:503 |
1 |
1 |
216 |
f |
[3AD]C:502 |
x,y,z |
1_555 |
2 |
1 |
414 |
27.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
27.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.079 |
20 |
31 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
[3AD]C:502 |
x,y,z |
1_555 |
4 |
1 |
414 |
15.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
32 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
[3AD]A:502 |
x,y,z |
1_555 |
4 |
1 |
416 |
15.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
15.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
|