## |
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 |
302 |
83 |
15973 |
◊ |
A |
x,y,z |
1_555 |
301 |
81 |
16002 |
2816.1 |
-11.5 |
0.375 |
40 |
29 |
0 |
0.312 |
2 |
|
D |
285 |
76 |
15979 |
◊ |
C |
x,y,z |
1_555 |
287 |
77 |
16230 |
2660.1 |
-7.8 |
0.463 |
39 |
27 |
0 |
0.312 |
Average: |
2738.1 |
-9.6 |
0.419 |
40 |
28 |
0 |
0.312 |
2 |
3 |
|
A |
96 |
31 |
16002 |
◊ |
B |
x-y,x,z |
6_555 |
98 |
36 |
15973 |
800.3 |
4.1 |
0.854 |
16 |
10 |
0 |
0.058 |
4 |
|
D |
89 |
30 |
15979 |
◊ |
C |
x-y,x,z |
6_555 |
90 |
30 |
16230 |
748.4 |
3.6 |
0.827 |
16 |
6 |
0 |
0.058 |
Average: |
774.4 |
3.8 |
0.840 |
16 |
8 |
0 |
0.058 |
3 |
5 |
|
B |
44 |
13 |
15973 |
◊ |
D |
x,y,z-1 |
1_554 |
46 |
14 |
15979 |
419.9 |
-1.1 |
0.530 |
2 |
0 |
0 |
0.008 |
4 |
6 |
|
C |
42 |
15 |
16230 |
◊ |
A |
x,y,z |
1_555 |
53 |
16 |
16002 |
408.7 |
-5.0 |
0.205 |
0 |
0 |
0 |
0.020 |
5 |
7 |
|
B |
32 |
11 |
15973 |
◊ |
B |
-x+1,-y,z |
4_655 |
32 |
11 |
15973 |
263.6 |
-2.1 |
0.387 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
30 |
9 |
16002 |
◊ |
A |
-x+1,-y,z |
4_655 |
30 |
9 |
16002 |
246.7 |
-1.5 |
0.446 |
0 |
0 |
0 |
0.000 |
Average: |
255.2 |
-1.8 |
0.417 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
[PLP]B:1001 |
15 |
1 |
398 |
cf |
B |
x,y,z |
1_555 |
37 |
16 |
15973 |
261.7 |
3.5 |
0.706 |
6 |
0 |
0 |
0.000 |
10 |
|
[PLP]D:1001 |
15 |
1 |
395 |
cf |
D |
x,y,z |
1_555 |
37 |
16 |
15979 |
261.2 |
3.0 |
0.707 |
6 |
0 |
0 |
0.000 |
11 |
|
[PLP]C:1001 |
15 |
1 |
398 |
cf |
C |
x,y,z |
1_555 |
36 |
15 |
16230 |
260.7 |
3.0 |
0.705 |
7 |
0 |
0 |
0.000 |
12 |
|
[PLP]A:1001 |
15 |
1 |
393 |
cf |
A |
x,y,z |
1_555 |
37 |
17 |
16002 |
259.2 |
3.3 |
0.707 |
8 |
0 |
0 |
0.000 |
Average: |
260.7 |
3.2 |
0.706 |
7 |
0 |
0 |
0.001 |
7 |
13 |
|
[SO4]C:360 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
16230 |
104.5 |
-15.8 |
0.698 |
2 |
0 |
0 |
0.213 |
8 |
14 |
|
[SO4]A:360 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
16002 |
101.2 |
-14.6 |
0.783 |
3 |
0 |
0 |
0.205 |
9 |
15 |
|
[SO4]B:360 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
15973 |
100.8 |
-14.3 |
0.783 |
3 |
0 |
0 |
0.201 |
10 |
16 |
|
[SO4]D:360 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
15979 |
100.0 |
-14.1 |
0.789 |
3 |
0 |
0 |
0.197 |
11 |
17 |
|
A |
12 |
4 |
16002 |
f |
[SO4]B:361 |
x-y,x,z |
6_555 |
5 |
1 |
185 |
72.5 |
-8.4 |
0.903 |
2 |
0 |
0 |
0.119 |
12 |
18 |
|
D |
12 |
4 |
15979 |
f |
[SO4]C:361 |
x-y,x,z |
6_555 |
5 |
1 |
187 |
70.5 |
-8.5 |
0.878 |
2 |
0 |
0 |
0.120 |
13 |
19 |
|
[SO4]D:361 |
4 |
1 |
187 |
f |
C |
x-y,x,z |
6_555 |
9 |
4 |
16230 |
66.1 |
-7.5 |
0.914 |
2 |
0 |
0 |
0.107 |
14 |
20 |
|
C |
10 |
4 |
16230 |
◊ |
A |
x-y,x,z |
6_555 |
8 |
4 |
16002 |
65.9 |
-0.9 |
0.380 |
0 |
0 |
0 |
0.004 |
15 |
21 |
|
[SO4]A:361 |
5 |
1 |
186 |
f |
B |
x-y,x,z |
6_555 |
10 |
4 |
15973 |
63.7 |
-7.1 |
0.919 |
2 |
0 |
0 |
0.103 |
16 |
22 |
|
[PLP]D:1001 |
6 |
1 |
395 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
16230 |
60.7 |
0.7 |
0.602 |
0 |
0 |
0 |
0.000 |
23 |
|
[PLP]A:1001 |
7 |
1 |
393 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
15973 |
54.0 |
0.6 |
0.573 |
0 |
0 |
0 |
0.000 |
24 |
|
[PLP]C:1001 |
7 |
1 |
398 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
15979 |
53.6 |
0.8 |
0.609 |
0 |
0 |
0 |
0.000 |
25 |
|
[PLP]B:1001 |
7 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
16002 |
52.2 |
0.8 |
0.600 |
0 |
0 |
0 |
0.000 |
Average: |
55.1 |
0.7 |
0.596 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
[SO4]D:362 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
15979 |
56.0 |
-6.7 |
0.908 |
2 |
0 |
0 |
0.097 |
18 |
27 |
|
[SO4]A:362 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
16002 |
55.0 |
-6.3 |
0.918 |
2 |
0 |
0 |
0.093 |
19 |
28 |
|
[SO4]C:362 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
16230 |
52.9 |
-6.5 |
0.944 |
1 |
0 |
0 |
0.089 |
20 |
29 |
|
[SO4]D:360 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
16230 |
52.5 |
-7.2 |
0.656 |
0 |
0 |
0 |
0.069 |
21 |
30 |
|
[SO4]B:360 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
16002 |
52.3 |
-7.2 |
0.596 |
0 |
0 |
0 |
0.067 |
22 |
31 |
|
[SO4]B:362 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
15973 |
48.5 |
-5.2 |
0.940 |
2 |
0 |
0 |
0.078 |
23 |
32 |
|
[SO4]A:360 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
15973 |
48.5 |
-6.9 |
0.583 |
0 |
0 |
0 |
0.064 |
24 |
33 |
|
[SO4]A:361 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
16002 |
45.2 |
-5.1 |
0.932 |
3 |
0 |
0 |
0.083 |
25 |
34 |
|
[SO4]C:361 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
16230 |
42.5 |
-4.6 |
0.959 |
2 |
0 |
0 |
0.070 |
26 |
35 |
|
[SO4]B:361 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
15973 |
40.6 |
-4.4 |
0.949 |
2 |
0 |
0 |
0.068 |
27 |
36 |
|
[SO4]C:360 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
15979 |
40.0 |
-5.3 |
0.719 |
0 |
0 |
0 |
0.051 |
28 |
37 |
|
[SO4]D:361 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
15979 |
37.4 |
-3.8 |
0.923 |
1 |
0 |
0 |
0.054 |
29 |
38 |
|
[PLP]C:1001 |
1 |
1 |
398 |
◊ |
[SO4]D:360 |
x,y,z |
1_555 |
1 |
1 |
186 |
2.2 |
-0.4 |
0.516 |
0 |
0 |
0 |
0.004 |
|