## |
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 |
|
D |
169 |
41 |
12501 |
◊ |
C |
x,y,z |
1_555 |
170 |
44 |
14392 |
1628.2 |
-14.2 |
0.265 |
17 |
3 |
0 |
0.540 |
2 |
|
B |
177 |
43 |
12518 |
◊ |
A |
x,y,z |
1_555 |
176 |
44 |
14456 |
1617.4 |
-13.0 |
0.355 |
21 |
5 |
0 |
0.540 |
Average: |
1622.8 |
-13.6 |
0.310 |
19 |
4 |
0 |
0.540 |
2 |
3 |
|
F |
46 |
7 |
1147 |
◊ |
C |
x,y,z |
1_555 |
62 |
22 |
14392 |
481.9 |
-4.7 |
0.368 |
6 |
0 |
0 |
0.280 |
4 |
|
E |
39 |
7 |
1248 |
◊ |
A |
x,y,z |
1_555 |
60 |
24 |
14456 |
443.5 |
-4.0 |
0.394 |
5 |
0 |
0 |
0.280 |
Average: |
462.7 |
-4.4 |
0.381 |
6 |
0 |
0 |
0.280 |
3 |
5 |
|
B |
48 |
15 |
12518 |
◊ |
C |
x,y,z |
1_555 |
42 |
14 |
14392 |
443.6 |
-2.6 |
0.539 |
3 |
2 |
0 |
0.099 |
6 |
|
D |
50 |
14 |
12501 |
◊ |
A |
x,y,z |
1_555 |
36 |
14 |
14456 |
406.5 |
-3.5 |
0.429 |
3 |
3 |
0 |
0.099 |
Average: |
425.0 |
-3.1 |
0.484 |
3 |
3 |
0 |
0.099 |
4 |
7 |
|
[ATP]A:1297 |
27 |
1 |
529 |
f |
A |
x,y,z |
1_555 |
54 |
24 |
14456 |
372.0 |
-5.7 |
0.588 |
4 |
0 |
0 |
0.253 |
8 |
|
[ATP]C:1298 |
27 |
1 |
534 |
f |
C |
x,y,z |
1_555 |
54 |
20 |
14392 |
370.6 |
-5.3 |
0.595 |
3 |
0 |
0 |
0.253 |
Average: |
371.3 |
-5.5 |
0.591 |
4 |
0 |
0 |
0.253 |
5 |
9 |
|
D |
43 |
10 |
12501 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
44 |
11 |
12518 |
370.1 |
-4.3 |
0.394 |
2 |
0 |
0 |
0.000 |
6 |
10 |
|
A |
37 |
12 |
14456 |
◊ |
D |
-x+1/2,y-1/2,-z |
3_545 |
37 |
9 |
12501 |
327.4 |
-1.7 |
0.556 |
4 |
3 |
0 |
0.000 |
11 |
|
B |
34 |
9 |
12518 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
3_546 |
37 |
11 |
14392 |
318.8 |
-3.2 |
0.403 |
2 |
2 |
0 |
0.000 |
Average: |
323.1 |
-2.4 |
0.479 |
3 |
3 |
0 |
0.000 |
7 |
12 |
|
A |
24 |
9 |
14456 |
◊ |
B |
x,y,z-1 |
1_554 |
30 |
10 |
12518 |
234.5 |
-2.4 |
0.268 |
0 |
0 |
0 |
0.000 |
13 |
|
D |
24 |
7 |
12501 |
◊ |
C |
x,y,z-1 |
1_554 |
25 |
9 |
14392 |
225.5 |
-1.9 |
0.382 |
1 |
0 |
0 |
0.000 |
Average: |
230.0 |
-2.2 |
0.325 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
[GOL]B:1433 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
26 |
15 |
12518 |
148.2 |
-1.5 |
0.449 |
4 |
0 |
0 |
0.100 |
9 |
15 |
|
[GOL]C:1297 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
14392 |
119.6 |
0.2 |
0.637 |
4 |
0 |
0 |
0.062 |
10 |
16 |
|
B |
14 |
4 |
12518 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
14 |
5 |
14392 |
113.8 |
-1.7 |
0.337 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[NO3]A:1299 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
14456 |
67.9 |
1.3 |
0.536 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
C |
9 |
2 |
14392 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
14456 |
66.9 |
-0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[NO3]C:1300 |
4 |
1 |
168 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
14392 |
60.9 |
1.1 |
0.493 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
F |
3 |
1 |
1147 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
12501 |
57.4 |
0.7 |
0.727 |
1 |
0 |
0 |
0.003 |
21 |
|
E |
2 |
1 |
1248 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
12518 |
49.8 |
0.3 |
0.718 |
1 |
0 |
0 |
0.003 |
Average: |
53.6 |
0.5 |
0.723 |
1 |
0 |
0 |
0.003 |
15 |
22 |
|
[GOL]C:1297 |
6 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
12518 |
56.3 |
-0.8 |
0.404 |
0 |
0 |
0 |
0.009 |
16 |
23 |
|
[NO3]C:1300 |
4 |
1 |
168 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
1147 |
43.7 |
0.5 |
0.785 |
1 |
0 |
0 |
0.000 |
17 |
24 |
|
[NO3]A:1299 |
4 |
1 |
168 |
f |
[ATP]A:1297 |
x,y,z |
1_555 |
5 |
1 |
529 |
42.0 |
-1.8 |
0.546 |
0 |
0 |
0 |
0.040 |
18 |
25 |
|
[NO3]A:1299 |
4 |
1 |
168 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
1248 |
33.4 |
0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[MG]C:1299 |
1 |
1 |
98 |
f |
[ATP]C:1298 |
x,y,z |
1_555 |
5 |
1 |
534 |
32.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.184 |
27 |
|
[MG]A:1298 |
1 |
1 |
98 |
f |
[ATP]A:1297 |
x,y,z |
1_555 |
6 |
1 |
529 |
30.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.184 |
Average: |
31.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.184 |
20 |
28 |
|
[MG]C:1299 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
14392 |
31.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.164 |
29 |
|
[MG]A:1298 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14456 |
28.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.164 |
Average: |
29.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.164 |
21 |
30 |
|
[NO3]C:1300 |
4 |
1 |
168 |
f |
[ATP]C:1298 |
x,y,z |
1_555 |
4 |
1 |
534 |
29.7 |
-1.1 |
0.602 |
0 |
0 |
0 |
0.043 |
22 |
31 |
|
[NO3]A:1299 |
4 |
1 |
168 |
f |
[MG]A:1298 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.039 |
23 |
32 |
|
[NO3]C:1300 |
3 |
1 |
168 |
f |
[MG]C:1299 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.053 |
24 |
33 |
|
A |
1 |
1 |
14456 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
3_546 |
1 |
1 |
14392 |
16.2 |
-0.5 |
0.144 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[MG]A:1298 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
1248 |
4.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
35 |
|
[MG]C:1299 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
1147 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
3.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
26 |
36 |
|
[ATP]A:1297 |
1 |
1 |
529 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
1248 |
1.6 |
-0.1 |
0.477 |
0 |
0 |
0 |
0.002 |
|