## |
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 |
97 |
30 |
22351 |
◊ |
A |
x,y,z |
1_555 |
109 |
30 |
23158 |
1034.8 |
0.2 |
0.855 |
16 |
2 |
0 |
0.000 |
2 |
2 |
|
T |
87 |
10 |
3595 |
◊ |
A |
x,y,z |
1_555 |
97 |
33 |
23158 |
866.0 |
-8.6 |
0.542 |
12 |
0 |
0 |
0.442 |
3 |
3 |
|
U |
70 |
9 |
3295 |
◊ |
B |
x,y,z |
1_555 |
85 |
30 |
22351 |
718.9 |
-7.7 |
0.610 |
13 |
0 |
0 |
0.426 |
4 |
4 |
|
P |
57 |
8 |
2375 |
◊ |
A |
x,y,z |
1_555 |
55 |
22 |
23158 |
520.6 |
-13.7 |
0.224 |
13 |
0 |
0 |
0.515 |
5 |
5 |
|
Q |
61 |
9 |
2624 |
◊ |
B |
x,y,z |
1_555 |
63 |
25 |
22351 |
518.4 |
-13.1 |
0.248 |
14 |
0 |
0 |
0.507 |
6 |
6 |
|
U |
54 |
12 |
3295 |
◊ |
Q |
x,y,z |
1_555 |
43 |
11 |
2624 |
488.8 |
-10.6 |
0.409 |
30 |
0 |
0 |
1.000 |
7 |
7 |
|
A |
48 |
16 |
23158 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
48 |
16 |
23158 |
480.0 |
-1.7 |
0.613 |
2 |
0 |
0 |
0.000 |
8 |
8 |
|
A |
42 |
12 |
23158 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
50 |
17 |
22351 |
441.2 |
-2.6 |
0.399 |
2 |
4 |
0 |
0.000 |
9 |
9 |
|
T |
46 |
11 |
3595 |
◊ |
P |
x,y,z |
1_555 |
41 |
10 |
2375 |
434.6 |
-8.7 |
0.410 |
31 |
0 |
0 |
1.000 |
10 |
10 |
|
B |
33 |
10 |
22351 |
◊ |
A |
x,-y,-z+1 |
4_556 |
34 |
12 |
23158 |
311.2 |
-0.3 |
0.708 |
0 |
2 |
0 |
0.000 |
11 |
11 |
|
[ATP]B:2 |
27 |
1 |
573 |
f |
B |
x,y,z |
1_555 |
46 |
19 |
22351 |
290.6 |
0.1 |
0.564 |
6 |
0 |
0 |
0.081 |
12 |
|
[ATP]A:1 |
28 |
1 |
568 |
f |
A |
x,y,z |
1_555 |
43 |
17 |
23158 |
286.1 |
0.9 |
0.575 |
6 |
0 |
0 |
0.081 |
Average: |
288.4 |
0.5 |
0.569 |
6 |
0 |
0 |
0.081 |
12 |
13 |
|
[8OG]U:5 |
21 |
1 |
454 |
◊ |
B |
x,y,z |
1_555 |
30 |
13 |
22351 |
196.2 |
-1.8 |
0.295 |
2 |
0 |
0 |
0.086 |
14 |
|
[8OG]T:5 |
21 |
1 |
455 |
◊ |
A |
x,y,z |
1_555 |
29 |
12 |
23158 |
192.3 |
-1.4 |
0.298 |
2 |
0 |
0 |
0.086 |
Average: |
194.3 |
-1.6 |
0.297 |
2 |
0 |
0 |
0.086 |
13 |
15 |
|
[8OG]T:5 |
20 |
1 |
455 |
cf |
T |
x,y,z |
1_555 |
26 |
3 |
3595 |
190.0 |
2.5 |
0.618 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[8OG]U:5 |
20 |
1 |
454 |
cf |
U |
x,y,z |
1_555 |
22 |
2 |
3295 |
179.6 |
2.7 |
0.639 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
B |
18 |
4 |
22351 |
◊ |
B |
x,-y,-z+1 |
4_556 |
18 |
4 |
22351 |
177.3 |
1.0 |
0.817 |
4 |
0 |
0 |
0.000 |
16 |
18 |
|
[DOC]Q:13 |
12 |
1 |
427 |
cf |
Q |
x,y,z |
1_555 |
14 |
1 |
2624 |
110.1 |
1.7 |
0.498 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[DOC]P:13 |
12 |
1 |
420 |
cf |
P |
x,y,z |
1_555 |
14 |
1 |
2375 |
110.0 |
1.7 |
0.515 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[DOC]Q:13 |
14 |
1 |
427 |
◊ |
[ATP]B:2 |
x,y,z |
1_555 |
16 |
1 |
573 |
99.1 |
3.4 |
0.506 |
0 |
0 |
0 |
0.000 |
21 |
|
[DOC]P:13 |
13 |
1 |
420 |
◊ |
[ATP]A:1 |
x,y,z |
1_555 |
17 |
1 |
568 |
95.1 |
3.3 |
0.496 |
0 |
0 |
0 |
0.000 |
Average: |
97.1 |
3.4 |
0.501 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[DOC]P:13 |
10 |
1 |
420 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
23158 |
87.2 |
-0.2 |
0.404 |
0 |
0 |
0 |
0.007 |
23 |
|
[DOC]Q:13 |
10 |
1 |
427 |
◊ |
B |
x,y,z |
1_555 |
11 |
7 |
22351 |
86.8 |
-0.3 |
0.401 |
0 |
0 |
0 |
0.007 |
Average: |
87.0 |
-0.2 |
0.402 |
0 |
0 |
0 |
0.007 |
20 |
24 |
|
U |
11 |
3 |
3295 |
◊ |
B |
x,-y,-z+1 |
4_556 |
10 |
3 |
22351 |
71.2 |
-2.6 |
0.424 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
T |
8 |
2 |
3595 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
8 |
3 |
23158 |
69.9 |
0.2 |
0.521 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[DOC]Q:13 |
5 |
1 |
427 |
◊ |
U |
x,y,z |
1_555 |
8 |
2 |
3295 |
68.7 |
0.6 |
0.501 |
3 |
0 |
0 |
0.036 |
23 |
27 |
|
[DOC]P:13 |
5 |
1 |
420 |
◊ |
T |
x,y,z |
1_555 |
6 |
2 |
3595 |
68.2 |
0.6 |
0.492 |
4 |
0 |
0 |
0.060 |
24 |
28 |
|
[8OG]U:5 |
5 |
1 |
454 |
◊ |
[ATP]B:2 |
x,y,z |
1_555 |
4 |
1 |
573 |
50.7 |
1.3 |
0.552 |
2 |
0 |
0 |
0.000 |
29 |
|
[8OG]T:5 |
6 |
1 |
455 |
◊ |
[ATP]A:1 |
x,y,z |
1_555 |
3 |
1 |
568 |
48.4 |
1.3 |
0.553 |
2 |
0 |
0 |
0.000 |
Average: |
49.6 |
1.3 |
0.552 |
2 |
0 |
0 |
0.000 |
25 |
30 |
|
[ATP]B:2 |
7 |
1 |
573 |
◊ |
U |
x,y,z |
1_555 |
8 |
1 |
3295 |
47.0 |
1.4 |
0.658 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[MG]B:4 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
22351 |
46.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.226 |
32 |
|
[MG]A:3 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
23158 |
44.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
45.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.226 |
27 |
33 |
|
[ATP]A:1 |
7 |
1 |
568 |
◊ |
T |
x,y,z |
1_555 |
8 |
1 |
3595 |
44.5 |
1.1 |
0.622 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[MG]A:2 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
23158 |
36.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.171 |
35 |
|
[MG]B:1 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
22351 |
35.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
35.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.171 |
29 |
36 |
|
[MG]B:1 |
1 |
1 |
98 |
f |
[ATP]B:2 |
x,y,z |
1_555 |
4 |
1 |
573 |
33.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.171 |
37 |
|
[MG]A:2 |
1 |
1 |
98 |
f |
[ATP]A:1 |
x,y,z |
1_555 |
4 |
1 |
568 |
33.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
33.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.171 |
30 |
38 |
|
[MG]B:4 |
1 |
1 |
98 |
◊ |
Q |
x,y,z |
1_555 |
3 |
1 |
2624 |
26.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.100 |
31 |
39 |
|
[MG]A:3 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
2375 |
25.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.099 |
32 |
40 |
|
[8OG]U:5 |
4 |
1 |
454 |
◊ |
[DOC]Q:13 |
x,y,z |
1_555 |
3 |
1 |
427 |
20.9 |
0.4 |
0.367 |
0 |
0 |
0 |
0.000 |
41 |
|
[8OG]T:5 |
4 |
1 |
455 |
◊ |
[DOC]P:13 |
x,y,z |
1_555 |
3 |
1 |
420 |
19.4 |
0.3 |
0.356 |
0 |
0 |
0 |
0.000 |
Average: |
20.2 |
0.3 |
0.362 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
A |
1 |
1 |
23158 |
◊ |
U |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
3295 |
7.1 |
-0.5 |
0.229 |
0 |
0 |
0 |
0.000 |
|