## |
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 |
216 |
55 |
14662 |
◊ |
A |
x,y,z |
1_555 |
209 |
56 |
14720 |
2085.6 |
-7.5 |
0.340 |
36 |
10 |
0 |
0.087 |
2 |
2 |
|
B |
80 |
22 |
14662 |
◊ |
B |
-x,y,-z |
3_555 |
78 |
22 |
14662 |
732.1 |
3.6 |
0.797 |
10 |
10 |
0 |
0.000 |
3 |
3 |
|
A |
48 |
14 |
14720 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
45 |
17 |
14662 |
420.1 |
1.5 |
0.701 |
8 |
5 |
0 |
0.000 |
4 |
4 |
|
[ATP]A:407 |
31 |
1 |
598 |
f |
A |
x,y,z |
1_555 |
57 |
24 |
14720 |
376.0 |
-2.2 |
0.404 |
9 |
0 |
0 |
0.045 |
5 |
|
[ATP]B:409 |
31 |
1 |
603 |
f |
B |
x,y,z |
1_555 |
56 |
24 |
14662 |
370.1 |
-2.4 |
0.386 |
10 |
0 |
0 |
0.045 |
Average: |
373.1 |
-2.3 |
0.395 |
10 |
0 |
0 |
0.045 |
5 |
6 |
|
[PLP]B:314 |
16 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
40 |
16 |
14662 |
242.5 |
-3.2 |
0.367 |
2 |
0 |
0 |
0.014 |
6 |
7 |
|
B |
21 |
6 |
14662 |
◊ |
A |
-x,-y,z |
2_555 |
26 |
7 |
14720 |
223.5 |
4.8 |
0.941 |
8 |
8 |
0 |
0.000 |
7 |
8 |
|
[PXL]A:313 |
12 |
1 |
325 |
f |
A |
x,y,z |
1_555 |
37 |
15 |
14720 |
213.7 |
3.0 |
0.233 |
3 |
0 |
0 |
0.000 |
8 |
9 |
|
[PXL]B:313 |
12 |
1 |
320 |
f |
B |
x,y,z |
1_555 |
33 |
13 |
14662 |
194.8 |
3.3 |
0.253 |
5 |
0 |
0 |
0.000 |
9 |
10 |
|
B |
21 |
8 |
14662 |
◊ |
A |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
16 |
8 |
14720 |
166.0 |
2.5 |
0.846 |
3 |
2 |
0 |
0.000 |
10 |
11 |
|
[MPD]B:320 |
7 |
1 |
281 |
f |
B |
-x,y,-z |
3_555 |
20 |
6 |
14662 |
129.1 |
-7.4 |
0.697 |
0 |
0 |
0 |
0.026 |
11 |
12 |
|
[MPD]B:321 |
7 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
14662 |
127.0 |
-6.2 |
0.912 |
1 |
0 |
0 |
0.023 |
12 |
13 |
|
[MPD]A:321 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
14720 |
116.6 |
-5.9 |
0.802 |
1 |
0 |
0 |
0.022 |
13 |
14 |
|
[MPD]B:319 |
6 |
1 |
278 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
14662 |
108.9 |
-6.5 |
0.580 |
1 |
0 |
0 |
0.024 |
14 |
15 |
|
[SO4]A:316 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
14720 |
107.2 |
-15.1 |
0.718 |
1 |
0 |
0 |
0.054 |
15 |
16 |
|
[SO4]B:316 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
14662 |
106.7 |
-14.9 |
0.713 |
2 |
0 |
0 |
0.055 |
16 |
17 |
|
[SO4]A:317 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14720 |
101.3 |
-13.7 |
0.738 |
0 |
0 |
0 |
0.048 |
17 |
18 |
|
[SO4]A:318 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
14720 |
96.5 |
-11.7 |
0.867 |
1 |
0 |
0 |
0.042 |
18 |
19 |
|
[SO4]A:314 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
19 |
12 |
14720 |
87.0 |
-13.5 |
0.667 |
4 |
0 |
0 |
0.053 |
19 |
20 |
|
[MPD]B:320 |
5 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
14662 |
79.4 |
-4.0 |
0.809 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
[SO4]B:317 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
14662 |
74.7 |
-9.7 |
0.850 |
0 |
0 |
0 |
0.034 |
21 |
22 |
|
[SO4]A:319 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14720 |
74.3 |
-8.9 |
0.844 |
0 |
0 |
0 |
0.031 |
22 |
23 |
|
[SO4]A:315 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14720 |
71.2 |
-9.1 |
0.644 |
0 |
0 |
0 |
0.032 |
23 |
24 |
|
[SO4]A:320 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14720 |
70.7 |
-9.2 |
0.782 |
0 |
0 |
0 |
0.032 |
24 |
25 |
|
[SO4]B:318 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
14662 |
70.1 |
-10.4 |
0.543 |
1 |
0 |
0 |
0.038 |
25 |
26 |
|
[SO4]B:315 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
14662 |
66.1 |
-9.5 |
0.663 |
1 |
0 |
0 |
0.034 |
26 |
27 |
|
[PLP]B:314 |
12 |
1 |
399 |
f |
[PXL]B:313 |
x,y,z |
1_555 |
6 |
1 |
320 |
62.7 |
3.2 |
0.386 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[SO4]A:320 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
14662 |
60.1 |
-6.8 |
0.751 |
0 |
0 |
0 |
0.023 |
28 |
29 |
|
[SO4]B:315 |
4 |
1 |
186 |
f |
[ATP]B:409 |
x,y,z |
1_555 |
9 |
1 |
603 |
53.5 |
-7.6 |
0.616 |
0 |
0 |
0 |
0.026 |
29 |
30 |
|
[NA]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14720 |
52.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.057 |
31 |
|
[NA]B:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
14662 |
51.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
52.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.057 |
30 |
32 |
|
[SO4]A:315 |
4 |
1 |
186 |
f |
[ATP]A:407 |
x,y,z |
1_555 |
10 |
1 |
598 |
48.4 |
-6.8 |
0.630 |
0 |
0 |
0 |
0.024 |
31 |
33 |
|
[PLP]B:314 |
4 |
1 |
399 |
f |
[ATP]B:409 |
x,y,z |
1_555 |
7 |
1 |
603 |
48.0 |
-2.8 |
0.304 |
0 |
0 |
0 |
0.010 |
32 |
34 |
|
A |
6 |
2 |
14720 |
◊ |
[MPD]B:319 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
278 |
45.0 |
-1.7 |
0.908 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[SO4]A:314 |
4 |
1 |
187 |
f |
[ATP]A:407 |
x,y,z |
1_555 |
7 |
1 |
598 |
40.0 |
-4.7 |
0.711 |
0 |
0 |
0 |
0.016 |
34 |
36 |
|
[SO4]A:314 |
4 |
1 |
187 |
f |
[PXL]A:313 |
x,y,z |
1_555 |
2 |
1 |
325 |
36.6 |
-2.7 |
0.697 |
1 |
0 |
0 |
0.011 |
35 |
37 |
|
[ATP]B:409 |
6 |
1 |
603 |
f |
[NA]B:406 |
x,y,z |
1_555 |
1 |
1 |
125 |
36.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.032 |
38 |
|
[ATP]A:407 |
7 |
1 |
598 |
f |
[NA]A:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
36.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.032 |
36 |
39 |
|
[MG]A:400 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14720 |
34.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.022 |
40 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14662 |
27.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
31.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.022 |
37 |
41 |
|
[MPD]A:321 |
2 |
1 |
280 |
f |
[SO4]A:319 |
x,y,z |
1_555 |
3 |
1 |
186 |
34.0 |
-5.3 |
0.965 |
0 |
0 |
0 |
0.019 |
38 |
42 |
|
[ATP]B:409 |
5 |
1 |
603 |
f |
[MG]B:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.036 |
43 |
|
[ATP]A:407 |
4 |
1 |
598 |
f |
[MG]A:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
33.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.036 |
39 |
44 |
|
B |
5 |
1 |
14662 |
◊ |
[SO4]A:320 |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
3 |
1 |
185 |
33.3 |
-4.3 |
0.728 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[MPD]B:321 |
3 |
1 |
278 |
f |
[SO4]B:317 |
x,y,z |
1_555 |
3 |
1 |
185 |
23.9 |
-3.8 |
0.000 |
1 |
0 |
0 |
0.015 |
41 |
46 |
|
A |
5 |
3 |
14720 |
x |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
2 |
2 |
14720 |
22.8 |
0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[SO4]B:315 |
2 |
1 |
186 |
f |
[MG]B:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.018 |
43 |
48 |
|
[SO4]A:315 |
3 |
1 |
186 |
f |
[MG]A:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.017 |
44 |
49 |
|
A |
5 |
2 |
14720 |
◊ |
A |
-x,-y,z |
2_555 |
5 |
2 |
14720 |
20.4 |
0.2 |
0.650 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[PLP]B:314 |
1 |
1 |
399 |
f |
[MG]B:404 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.002 |
46 |
51 |
|
B |
2 |
1 |
14662 |
x |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
2 |
2 |
14662 |
2.1 |
0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
|