## |
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 |
225 |
67 |
13176 |
◊ |
C |
x,y,z |
1_555 |
219 |
64 |
13107 |
2183.5 |
-35.7 |
0.002 |
19 |
8 |
0 |
0.455 |
2 |
|
B |
220 |
66 |
13095 |
◊ |
A |
x,y,z |
1_555 |
219 |
63 |
13041 |
2168.9 |
-36.6 |
0.001 |
16 |
8 |
0 |
0.455 |
Average: |
2176.2 |
-36.2 |
0.001 |
18 |
8 |
0 |
0.455 |
2 |
3 |
|
C |
102 |
33 |
13107 |
◊ |
A |
x,y,z |
1_555 |
98 |
31 |
13041 |
908.8 |
-1.2 |
0.719 |
6 |
2 |
0 |
0.000 |
3 |
4 |
|
B |
67 |
20 |
13095 |
x |
B |
-x,y-1/2,-z |
2_545 |
58 |
16 |
13095 |
540.6 |
-1.8 |
0.601 |
2 |
3 |
0 |
0.000 |
5 |
|
D |
55 |
16 |
13176 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
63 |
20 |
13176 |
518.7 |
-1.6 |
0.610 |
3 |
2 |
0 |
0.000 |
Average: |
529.7 |
-1.7 |
0.605 |
3 |
3 |
0 |
0.000 |
4 |
6 |
|
[ATP]C:301 |
31 |
1 |
642 |
f |
C |
x,y,z |
1_555 |
70 |
24 |
13107 |
428.5 |
-5.3 |
0.448 |
18 |
0 |
0 |
0.133 |
7 |
|
[ATP]A:1001 |
31 |
1 |
639 |
f |
A |
x,y,z |
1_555 |
71 |
24 |
13041 |
421.2 |
-4.6 |
0.484 |
16 |
0 |
0 |
0.133 |
Average: |
424.8 |
-5.0 |
0.466 |
17 |
0 |
0 |
0.133 |
5 |
8 |
|
[ADP]D:301 |
27 |
1 |
568 |
f |
D |
x,y,z |
1_555 |
61 |
22 |
13176 |
385.3 |
-7.5 |
0.479 |
14 |
0 |
0 |
0.144 |
9 |
|
[ADP]B:301 |
27 |
1 |
566 |
f |
B |
x,y,z |
1_555 |
61 |
23 |
13095 |
377.7 |
-8.0 |
0.476 |
14 |
0 |
0 |
0.144 |
Average: |
381.5 |
-7.8 |
0.477 |
14 |
0 |
0 |
0.144 |
6 |
10 |
|
B |
34 |
10 |
13095 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
37 |
11 |
13041 |
317.7 |
-3.1 |
0.300 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[C0G]C:302 |
21 |
1 |
568 |
◊ |
C |
x,y,z |
1_555 |
46 |
15 |
13107 |
295.8 |
-5.1 |
0.545 |
3 |
0 |
0 |
0.125 |
12 |
|
[C0G]A:1002 |
21 |
1 |
566 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
13041 |
292.7 |
-4.9 |
0.557 |
3 |
0 |
0 |
0.125 |
13 |
|
[C0G]D:302 |
21 |
1 |
567 |
◊ |
D |
x,y,z |
1_555 |
46 |
14 |
13176 |
283.9 |
-4.8 |
0.576 |
2 |
0 |
0 |
0.125 |
14 |
|
[C0G]B:302 |
21 |
1 |
563 |
◊ |
B |
x,y,z |
1_555 |
45 |
14 |
13095 |
281.6 |
-4.7 |
0.568 |
3 |
0 |
0 |
0.125 |
Average: |
288.5 |
-4.9 |
0.561 |
3 |
0 |
0 |
0.125 |
8 |
15 |
|
B |
35 |
11 |
13095 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
29 |
9 |
13041 |
259.9 |
-1.7 |
0.485 |
2 |
0 |
0 |
0.000 |
16 |
|
C |
32 |
7 |
13107 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
10 |
13176 |
253.3 |
-1.3 |
0.497 |
2 |
0 |
0 |
0.000 |
Average: |
256.6 |
-1.5 |
0.491 |
2 |
0 |
0 |
0.000 |
9 |
17 |
|
A |
21 |
7 |
13041 |
◊ |
C |
x,y-1,z |
1_545 |
26 |
7 |
13107 |
197.1 |
-2.2 |
0.352 |
1 |
0 |
0 |
0.000 |
10 |
18 |
|
[C0G]C:302 |
16 |
1 |
568 |
f |
D |
x,y,z |
1_555 |
27 |
10 |
13176 |
188.3 |
-6.0 |
0.519 |
3 |
0 |
0 |
0.138 |
19 |
|
[C0G]A:1002 |
15 |
1 |
566 |
f |
B |
x,y,z |
1_555 |
28 |
10 |
13095 |
181.8 |
-6.1 |
0.485 |
2 |
0 |
0 |
0.138 |
20 |
|
[C0G]D:302 |
15 |
1 |
567 |
f |
C |
x,y,z |
1_555 |
26 |
10 |
13107 |
177.6 |
-5.6 |
0.492 |
2 |
0 |
0 |
0.138 |
21 |
|
[C0G]B:302 |
15 |
1 |
563 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
13041 |
177.0 |
-5.8 |
0.464 |
2 |
0 |
0 |
0.138 |
Average: |
181.2 |
-5.9 |
0.490 |
2 |
0 |
0 |
0.138 |
11 |
22 |
|
B |
16 |
4 |
13095 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
19 |
7 |
13095 |
104.0 |
0.6 |
0.713 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
B |
16 |
6 |
13095 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
3 |
13041 |
95.9 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
24 |
|
C |
10 |
3 |
13107 |
◊ |
D |
x,y-1,z |
1_545 |
14 |
6 |
13176 |
93.0 |
0.2 |
0.675 |
1 |
0 |
0 |
0.000 |
Average: |
94.4 |
0.1 |
0.667 |
1 |
0 |
0 |
0.000 |
13 |
25 |
|
C |
12 |
3 |
13107 |
◊ |
D |
x-1,y-1,z |
1_445 |
13 |
3 |
13176 |
95.2 |
0.5 |
0.720 |
1 |
0 |
0 |
0.000 |
14 |
26 |
|
A |
10 |
4 |
13041 |
x |
A |
x,y-1,z |
1_545 |
8 |
3 |
13041 |
52.0 |
0.7 |
0.720 |
0 |
0 |
0 |
0.000 |
27 |
|
C |
5 |
2 |
13107 |
x |
C |
x,y-1,z |
1_545 |
7 |
3 |
13107 |
35.5 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
Average: |
43.8 |
0.3 |
0.656 |
0 |
0 |
0 |
0.000 |
15 |
28 |
|
[C0G]D:302 |
3 |
1 |
567 |
f |
[ATP]C:301 |
x,y,z |
1_555 |
4 |
1 |
642 |
40.4 |
-0.5 |
0.575 |
1 |
0 |
0 |
0.009 |
29 |
|
[C0G]B:302 |
3 |
1 |
563 |
f |
[ATP]A:1001 |
x,y,z |
1_555 |
4 |
1 |
639 |
40.0 |
-0.4 |
0.573 |
1 |
0 |
0 |
0.009 |
Average: |
40.2 |
-0.5 |
0.574 |
1 |
0 |
0 |
0.009 |
16 |
30 |
|
[ATP]A:1001 |
2 |
1 |
639 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
13107 |
35.2 |
1.0 |
0.785 |
1 |
0 |
0 |
0.000 |
31 |
|
[ATP]C:301 |
2 |
1 |
642 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13041 |
30.9 |
0.8 |
0.757 |
1 |
0 |
0 |
0.000 |
Average: |
33.0 |
0.9 |
0.771 |
1 |
0 |
0 |
0.000 |
17 |
32 |
|
[ATP]A:1001 |
4 |
1 |
639 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13095 |
31.0 |
0.1 |
0.264 |
0 |
0 |
0 |
0.000 |
33 |
|
[ATP]C:301 |
3 |
1 |
642 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
13176 |
29.3 |
0.1 |
0.275 |
0 |
0 |
0 |
0.000 |
Average: |
30.2 |
0.1 |
0.270 |
0 |
0 |
0 |
0.000 |
18 |
34 |
|
[ADP]B:301 |
1 |
1 |
566 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13041 |
10.0 |
-0.7 |
0.298 |
0 |
0 |
0 |
0.007 |
35 |
|
[ADP]D:301 |
1 |
1 |
568 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
13107 |
7.6 |
-0.5 |
0.322 |
0 |
0 |
0 |
0.007 |
Average: |
8.8 |
-0.6 |
0.310 |
0 |
0 |
0 |
0.007 |
19 |
36 |
|
[ADP]D:301 |
1 |
1 |
568 |
f |
[C0G]C:302 |
x,y,z |
1_555 |
1 |
1 |
568 |
4.9 |
-0.3 |
0.468 |
0 |
0 |
0 |
0.003 |
37 |
|
[ADP]B:301 |
1 |
1 |
566 |
f |
[C0G]A:1002 |
x,y,z |
1_555 |
1 |
1 |
566 |
4.7 |
-0.3 |
0.468 |
0 |
0 |
0 |
0.003 |
Average: |
4.8 |
-0.3 |
0.468 |
0 |
0 |
0 |
0.003 |
|