| ## |
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 |
|
M |
82 |
20 |
2886 |
◊ |
A |
x,y,z |
1_555 |
104 |
26 |
15268 |
927.9 |
-10.1 |
0.133 |
14 |
0 |
0 |
0.452 |
2 |
|
N |
79 |
18 |
2885 |
◊ |
B |
x,y,z |
1_555 |
107 |
28 |
15649 |
905.4 |
-10.0 |
0.159 |
16 |
0 |
0 |
0.452 |
| Average: |
916.6 |
-10.0 |
0.146 |
15 |
0 |
0 |
0.452 |
| 2 |
3 |
|
A |
58 |
16 |
15268 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
46 |
13 |
15268 |
462.4 |
-2.5 |
0.486 |
5 |
2 |
0 |
0.000 |
4 |
|
B |
45 |
14 |
15649 |
x |
B |
-x-1,y-1/2,-z-1 |
2_444 |
54 |
17 |
15649 |
452.6 |
-2.3 |
0.510 |
5 |
2 |
0 |
0.000 |
| Average: |
457.5 |
-2.4 |
0.498 |
5 |
2 |
0 |
0.000 |
| 3 |
5 |
|
[ATP]B:1377 |
31 |
1 |
646 |
f |
B |
x,y,z |
1_555 |
74 |
24 |
15649 |
442.9 |
-3.3 |
0.534 |
17 |
0 |
0 |
0.297 |
6 |
|
[ATP]A:1377 |
31 |
1 |
646 |
f |
A |
x,y,z |
1_555 |
75 |
24 |
15268 |
442.1 |
-3.5 |
0.525 |
18 |
0 |
0 |
0.297 |
| Average: |
442.5 |
-3.4 |
0.530 |
18 |
0 |
0 |
0.297 |
| 4 |
7 |
|
B |
50 |
14 |
15649 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
15268 |
429.2 |
0.2 |
0.719 |
9 |
2 |
0 |
0.000 |
| 5 |
8 |
|
M |
40 |
9 |
2886 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
53 |
17 |
15268 |
420.1 |
-0.9 |
0.604 |
5 |
0 |
0 |
0.000 |
9 |
|
B |
51 |
16 |
15649 |
◊ |
N |
-x,y-1/2,-z-1 |
2_544 |
38 |
9 |
2885 |
402.9 |
-0.7 |
0.609 |
5 |
0 |
0 |
0.000 |
| Average: |
411.5 |
-0.8 |
0.606 |
5 |
0 |
0 |
0.000 |
| 6 |
10 |
|
B |
47 |
15 |
15649 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
28 |
11 |
15649 |
410.7 |
-2.8 |
0.265 |
6 |
5 |
0 |
0.000 |
11 |
|
A |
29 |
12 |
15268 |
x |
A |
-x,y-1/2,-z |
2_545 |
48 |
16 |
15268 |
406.2 |
-3.2 |
0.240 |
6 |
5 |
0 |
0.000 |
| Average: |
408.5 |
-3.0 |
0.253 |
6 |
5 |
0 |
0.000 |
| 7 |
12 |
|
[LAB]A:1500 |
25 |
1 |
559 |
f |
A |
x,y,z |
1_555 |
54 |
18 |
15268 |
396.3 |
-1.6 |
0.444 |
4 |
0 |
0 |
0.088 |
13 |
|
[LAB]B:1500 |
24 |
1 |
559 |
f |
B |
x,y,z |
1_555 |
52 |
18 |
15649 |
396.1 |
-1.5 |
0.446 |
4 |
0 |
0 |
0.088 |
| Average: |
396.2 |
-1.5 |
0.445 |
4 |
0 |
0 |
0.088 |
| 8 |
14 |
|
[EDO]A:1501 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
25 |
12 |
15268 |
115.1 |
3.0 |
0.631 |
3 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[GOL]B:1501 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
15649 |
114.2 |
-1.6 |
0.356 |
1 |
0 |
0 |
0.055 |
| 10 |
16 |
|
[EDO]B:1504 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
22 |
11 |
15649 |
112.0 |
3.1 |
0.482 |
3 |
0 |
0 |
0.000 |
| 11 |
17 |
|
B |
15 |
6 |
15649 |
◊ |
N |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
3 |
2885 |
107.6 |
-1.2 |
0.462 |
0 |
0 |
0 |
0.000 |
18 |
|
M |
11 |
3 |
2886 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
15 |
5 |
15268 |
99.8 |
-1.1 |
0.485 |
0 |
0 |
0 |
0.000 |
| Average: |
103.7 |
-1.2 |
0.474 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
[GOL]B:1506 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
15649 |
106.3 |
0.1 |
0.668 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
A |
13 |
5 |
15268 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
11 |
3 |
15649 |
91.3 |
-0.2 |
0.583 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[EDO]B:1503 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
15649 |
79.9 |
2.2 |
0.264 |
1 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[EDO]B:1503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
15268 |
67.5 |
1.3 |
0.213 |
1 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[MG]A:1378 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
15268 |
52.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.143 |
24 |
|
[MG]B:1378 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
15649 |
51.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.143 |
| Average: |
52.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.143 |
| 17 |
25 |
|
[LAB]A:1500 |
8 |
1 |
559 |
f |
[ATP]A:1377 |
x,y,z |
1_555 |
6 |
1 |
646 |
51.8 |
-0.5 |
0.452 |
0 |
0 |
0 |
0.013 |
26 |
|
[LAB]B:1500 |
7 |
1 |
559 |
f |
[ATP]B:1377 |
x,y,z |
1_555 |
6 |
1 |
646 |
51.0 |
-0.4 |
0.452 |
0 |
0 |
0 |
0.013 |
| Average: |
51.4 |
-0.4 |
0.452 |
0 |
0 |
0 |
0.013 |
| 18 |
27 |
|
[EDO]B:1502 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
15649 |
48.0 |
1.9 |
0.920 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[EDO]B:1504 |
3 |
1 |
185 |
f |
N |
x,y,z |
1_555 |
6 |
2 |
2885 |
43.1 |
1.1 |
0.826 |
0 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[GOL]B:1506 |
4 |
1 |
214 |
f |
[EDO]B:1502 |
x,y,z |
1_555 |
4 |
1 |
184 |
41.7 |
1.2 |
0.826 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[EDO]A:1501 |
2 |
1 |
184 |
f |
M |
x,y,z |
1_555 |
5 |
2 |
2886 |
37.3 |
1.2 |
0.615 |
1 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[MG]B:1378 |
1 |
1 |
98 |
f |
[ATP]B:1377 |
x,y,z |
1_555 |
4 |
1 |
646 |
34.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.130 |
32 |
|
[MG]A:1378 |
1 |
1 |
98 |
f |
[ATP]A:1377 |
x,y,z |
1_555 |
5 |
1 |
646 |
34.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.130 |
| Average: |
34.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.130 |
| 23 |
33 |
|
[ATP]B:1377 |
2 |
1 |
646 |
◊ |
N |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
2885 |
21.4 |
1.0 |
0.726 |
0 |
0 |
0 |
0.000 |
34 |
|
M |
2 |
1 |
2886 |
◊ |
[ATP]A:1377 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
646 |
21.2 |
0.9 |
0.725 |
0 |
0 |
0 |
0.000 |
| Average: |
21.3 |
0.9 |
0.725 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
A |
5 |
3 |
15268 |
◊ |
M |
x-1,y,z |
1_455 |
2 |
2 |
2886 |
18.7 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
36 |
|
B |
5 |
3 |
15649 |
◊ |
N |
x-1,y,z |
1_455 |
2 |
2 |
2885 |
18.5 |
0.0 |
0.531 |
0 |
0 |
0 |
0.000 |
| Average: |
18.6 |
-0.0 |
0.520 |
0 |
0 |
0 |
0.000 |
| 25 |
37 |
|
A |
3 |
1 |
15268 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
15268 |
4.2 |
0.1 |
0.712 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
2 |
1 |
15649 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
15649 |
3.9 |
0.1 |
0.727 |
0 |
0 |
0 |
0.000 |
| Average: |
4.1 |
0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
A |
1 |
1 |
15268 |
◊ |
[ATP]A:1377 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
646 |
2.5 |
0.0 |
0.565 |
0 |
0 |
0 |
0.000 |
40 |
|
[ATP]B:1377 |
1 |
1 |
646 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
15649 |
1.2 |
0.0 |
0.549 |
0 |
0 |
0 |
0.000 |
| Average: |
1.8 |
0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
| 27 |
41 |
|
A |
1 |
1 |
15268 |
◊ |
[LAB]A:1500 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
559 |
0.5 |
0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
|