## |
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 |
111 |
32 |
18383 |
◊ |
A |
x,y,z |
1_555 |
115 |
32 |
18983 |
968.7 |
-1.3 |
0.880 |
14 |
4 |
0 |
0.038 |
2 |
2 |
|
A |
89 |
24 |
18983 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
63 |
23 |
18983 |
744.0 |
-7.1 |
0.294 |
3 |
1 |
0 |
0.000 |
3 |
|
B |
59 |
21 |
18383 |
x |
B |
-x,y-1/2,-z |
2_545 |
70 |
17 |
18383 |
633.4 |
-6.5 |
0.375 |
3 |
1 |
0 |
0.000 |
Average: |
688.7 |
-6.8 |
0.335 |
3 |
1 |
0 |
0.000 |
3 |
4 |
|
[ATP]A:601 |
31 |
1 |
602 |
f |
A |
x,y,z |
1_555 |
58 |
25 |
18983 |
433.2 |
-3.7 |
0.564 |
10 |
0 |
0 |
0.078 |
5 |
|
[ATP]B:601 |
31 |
1 |
603 |
f |
B |
x,y,z |
1_555 |
58 |
26 |
18383 |
423.1 |
-3.4 |
0.578 |
12 |
0 |
0 |
0.078 |
Average: |
428.1 |
-3.5 |
0.571 |
11 |
0 |
0 |
0.078 |
4 |
6 |
|
B |
35 |
12 |
18383 |
x |
B |
x-1,y,z |
1_455 |
28 |
9 |
18383 |
283.2 |
-1.5 |
0.524 |
1 |
0 |
0 |
0.000 |
7 |
|
A |
34 |
12 |
18983 |
x |
A |
x-1,y,z |
1_455 |
25 |
9 |
18983 |
279.7 |
-0.2 |
0.569 |
1 |
0 |
0 |
0.000 |
Average: |
281.5 |
-0.9 |
0.547 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
D |
17 |
6 |
916 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
18983 |
188.3 |
-5.3 |
0.200 |
0 |
0 |
0 |
0.006 |
6 |
9 |
|
B |
15 |
8 |
18383 |
◊ |
D |
x,y-1,z |
1_545 |
16 |
5 |
916 |
178.1 |
-5.2 |
0.159 |
0 |
0 |
0 |
0.004 |
7 |
10 |
|
[GOL]A:604 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
18983 |
131.3 |
0.6 |
0.765 |
3 |
0 |
0 |
0.003 |
8 |
11 |
|
[GOL]B:602 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
18383 |
128.8 |
0.3 |
0.668 |
4 |
0 |
0 |
0.007 |
9 |
12 |
|
[GOL]A:602 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
18983 |
127.6 |
0.5 |
0.699 |
4 |
0 |
0 |
0.006 |
10 |
13 |
|
[GOL]B:603 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
18383 |
115.0 |
-0.9 |
0.491 |
1 |
0 |
0 |
0.006 |
11 |
14 |
|
[SO4]B:610 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
18383 |
113.1 |
-16.3 |
0.808 |
3 |
0 |
0 |
0.082 |
12 |
15 |
|
[SO4]A:607 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
18983 |
111.9 |
-18.5 |
0.765 |
4 |
0 |
0 |
0.095 |
13 |
16 |
|
[SO4]A:608 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
18983 |
111.5 |
-16.0 |
0.784 |
3 |
0 |
0 |
0.081 |
14 |
17 |
|
[GOL]B:606 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
18383 |
111.2 |
0.4 |
0.748 |
4 |
0 |
0 |
0.006 |
15 |
18 |
|
[GOL]A:605 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
18983 |
107.1 |
0.3 |
0.684 |
2 |
0 |
0 |
0.003 |
16 |
19 |
|
[SO4]B:611 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
18383 |
105.2 |
-14.5 |
0.892 |
0 |
0 |
0 |
0.067 |
17 |
20 |
|
[SO4]B:609 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
18383 |
105.0 |
-17.2 |
0.756 |
4 |
0 |
0 |
0.088 |
18 |
21 |
|
[GOL]B:607 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
18 |
4 |
18383 |
101.9 |
-0.3 |
0.642 |
2 |
0 |
0 |
0.005 |
19 |
22 |
|
[SO4]A:606 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
18983 |
97.8 |
-15.3 |
0.779 |
5 |
0 |
0 |
0.082 |
20 |
23 |
|
[SO4]B:608 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
18383 |
93.8 |
-14.3 |
0.780 |
9 |
0 |
0 |
0.085 |
21 |
24 |
|
[GOL]A:603 |
5 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
18983 |
88.6 |
-0.6 |
0.502 |
1 |
0 |
0 |
0.005 |
22 |
25 |
|
[GOL]B:604 |
4 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18383 |
73.8 |
-0.4 |
0.505 |
1 |
0 |
0 |
0.004 |
23 |
26 |
|
A |
9 |
3 |
18983 |
◊ |
[GOL]A:605 |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
217 |
71.6 |
-0.4 |
0.541 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
B |
11 |
5 |
18383 |
◊ |
A |
x,y-1,z |
1_545 |
12 |
7 |
18983 |
67.7 |
-1.3 |
0.437 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[GOL]B:606 |
5 |
1 |
218 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
9 |
3 |
18383 |
66.7 |
-0.5 |
0.553 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
[GOL]B:605 |
4 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
18383 |
64.9 |
-1.2 |
0.344 |
1 |
0 |
0 |
0.008 |
27 |
30 |
|
[SO4]B:612 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
18383 |
63.5 |
-7.1 |
0.953 |
2 |
0 |
0 |
0.037 |
28 |
31 |
|
[SO4]B:612 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
18983 |
59.0 |
-6.4 |
0.945 |
2 |
0 |
0 |
0.034 |
29 |
32 |
|
[GOL]B:602 |
4 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
18983 |
49.4 |
0.3 |
0.649 |
1 |
0 |
0 |
0.000 |
30 |
33 |
|
[MG]B:613 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
18383 |
43.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.036 |
34 |
|
[MG]A:609 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
18983 |
43.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
43.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.036 |
31 |
35 |
|
[MG]A:609 |
1 |
1 |
98 |
f |
[ATP]A:601 |
x,y,z |
1_555 |
7 |
1 |
602 |
34.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.048 |
36 |
|
[MG]B:613 |
1 |
1 |
98 |
f |
[ATP]B:601 |
x,y,z |
1_555 |
8 |
1 |
603 |
33.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
33.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.048 |
32 |
37 |
|
[GOL]B:604 |
3 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18983 |
32.7 |
-0.2 |
0.192 |
0 |
0 |
0 |
0.001 |
33 |
38 |
|
[SO4]B:608 |
4 |
1 |
185 |
f |
[ATP]B:601 |
x,y,z |
1_555 |
6 |
1 |
603 |
18.3 |
-2.2 |
0.685 |
0 |
0 |
0 |
0.010 |
34 |
39 |
|
[SO4]A:606 |
3 |
1 |
185 |
f |
[ATP]A:601 |
x,y,z |
1_555 |
5 |
1 |
602 |
18.0 |
-2.5 |
0.625 |
0 |
0 |
0 |
0.012 |
35 |
40 |
|
[SO4]A:607 |
4 |
1 |
185 |
f |
[SO4]A:606 |
x,y,z |
1_555 |
3 |
1 |
185 |
17.8 |
-4.0 |
0.995 |
0 |
0 |
0 |
0.019 |
36 |
41 |
|
[SO4]B:609 |
4 |
1 |
185 |
f |
[SO4]B:608 |
x,y,z |
1_555 |
2 |
1 |
185 |
17.1 |
-3.8 |
0.979 |
0 |
0 |
0 |
0.018 |
37 |
42 |
|
[SO4]B:609 |
1 |
1 |
185 |
f |
[GOL]B:602 |
x,y,z |
1_555 |
2 |
1 |
218 |
14.6 |
-1.9 |
0.683 |
0 |
0 |
0 |
0.009 |
38 |
43 |
|
[MG]B:613 |
1 |
1 |
98 |
f |
[SO4]B:608 |
x,y,z |
1_555 |
4 |
1 |
185 |
13.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.013 |
39 |
44 |
|
[MG]A:609 |
1 |
1 |
98 |
f |
[SO4]A:606 |
x,y,z |
1_555 |
3 |
1 |
185 |
11.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.012 |
40 |
45 |
|
[GOL]A:603 |
1 |
1 |
215 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
18983 |
10.4 |
-0.0 |
0.309 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[GOL]B:607 |
1 |
1 |
219 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
18383 |
5.6 |
-0.2 |
0.376 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[SO4]B:608 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18983 |
4.2 |
-0.3 |
0.844 |
0 |
0 |
0 |
0.001 |
43 |
48 |
|
[SO4]B:608 |
3 |
1 |
185 |
f |
[GOL]B:602 |
x,y,z |
1_555 |
1 |
1 |
218 |
2.7 |
-0.2 |
0.707 |
0 |
0 |
0 |
0.000 |
|