| ## |
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 |
|
F |
92 |
25 |
6476 |
◊ |
D |
x,y,z |
1_555 |
128 |
34 |
16420 |
1019.8 |
-1.2 |
0.618 |
20 |
12 |
0 |
1.000 |
2 |
|
E |
92 |
24 |
6348 |
◊ |
C |
x,y,z |
1_555 |
128 |
33 |
16384 |
1006.7 |
-1.2 |
0.640 |
21 |
12 |
0 |
1.000 |
| Average: |
1013.3 |
-1.2 |
0.629 |
21 |
12 |
0 |
1.000 |
| 2 |
3 |
|
D |
101 |
29 |
16420 |
◊ |
A |
x,y,z |
1_555 |
105 |
30 |
17981 |
940.6 |
-1.2 |
0.653 |
16 |
10 |
0 |
0.183 |
4 |
|
C |
101 |
28 |
16384 |
◊ |
B |
x,y,z |
1_555 |
109 |
32 |
17910 |
938.8 |
-1.0 |
0.659 |
15 |
9 |
0 |
0.183 |
| Average: |
939.7 |
-1.1 |
0.656 |
16 |
10 |
0 |
0.183 |
| 3 |
5 |
|
D |
65 |
23 |
16420 |
◊ |
B |
x,y,z |
1_555 |
80 |
27 |
17910 |
688.6 |
-4.8 |
0.314 |
6 |
0 |
0 |
0.144 |
6 |
|
C |
64 |
22 |
16384 |
◊ |
A |
x,y,z |
1_555 |
78 |
27 |
17981 |
687.6 |
-4.7 |
0.316 |
6 |
0 |
0 |
0.144 |
| Average: |
688.1 |
-4.7 |
0.315 |
6 |
0 |
0 |
0.144 |
| 4 |
7 |
|
D |
49 |
15 |
16420 |
◊ |
C |
x-y+1,x+1,z-1/6 |
2_664 |
44 |
15 |
16384 |
473.8 |
6.2 |
0.964 |
9 |
2 |
0 |
0.000 |
| 5 |
8 |
|
[ATP]A:502 |
31 |
1 |
648 |
f |
A |
x,y,z |
1_555 |
72 |
24 |
17981 |
459.3 |
-2.4 |
0.601 |
15 |
0 |
0 |
0.170 |
9 |
|
[ATP]B:502 |
30 |
1 |
647 |
f |
B |
x,y,z |
1_555 |
72 |
24 |
17910 |
458.2 |
-2.2 |
0.611 |
14 |
0 |
0 |
0.170 |
| Average: |
458.8 |
-2.3 |
0.606 |
15 |
0 |
0 |
0.170 |
| 6 |
10 |
|
B |
43 |
15 |
17910 |
◊ |
C |
x-y+1,x+1,z-1/6 |
2_664 |
48 |
16 |
16384 |
458.6 |
-5.3 |
0.141 |
3 |
2 |
0 |
0.000 |
11 |
|
D |
48 |
16 |
16420 |
◊ |
A |
x-y+1,x+1,z-1/6 |
2_664 |
43 |
15 |
17981 |
450.6 |
-5.4 |
0.152 |
3 |
3 |
0 |
0.000 |
| Average: |
454.6 |
-5.4 |
0.146 |
3 |
3 |
0 |
0.000 |
| 7 |
12 |
|
B |
47 |
14 |
17910 |
◊ |
A |
-y+2,x-y+2,z-1/3 |
3_774 |
48 |
18 |
17981 |
379.1 |
-2.7 |
0.482 |
2 |
0 |
0 |
0.000 |
| 8 |
13 |
|
F |
36 |
10 |
6476 |
◊ |
A |
x,y,z |
1_555 |
44 |
12 |
17981 |
378.1 |
2.5 |
0.843 |
13 |
2 |
0 |
0.064 |
14 |
|
E |
37 |
11 |
6348 |
◊ |
B |
x,y,z |
1_555 |
44 |
12 |
17910 |
376.8 |
2.4 |
0.844 |
11 |
2 |
0 |
0.064 |
| Average: |
377.5 |
2.4 |
0.843 |
12 |
2 |
0 |
0.064 |
| 9 |
15 |
|
H |
36 |
13 |
1513 |
◊ |
D |
x,y,z |
1_555 |
46 |
18 |
16420 |
334.0 |
-9.1 |
0.136 |
0 |
0 |
0 |
1.000 |
| 10 |
16 |
|
D |
32 |
9 |
16420 |
◊ |
C |
x,y,z |
1_555 |
32 |
9 |
16384 |
303.0 |
-2.1 |
0.381 |
4 |
0 |
0 |
0.038 |
| 11 |
17 |
|
G |
32 |
12 |
1389 |
◊ |
C |
x,y,z |
1_555 |
45 |
16 |
16384 |
296.6 |
-7.8 |
0.179 |
0 |
0 |
0 |
1.000 |
| 12 |
18 |
|
H |
9 |
3 |
1513 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
1389 |
92.2 |
-2.4 |
0.626 |
0 |
0 |
0 |
0.024 |
| 13 |
19 |
|
H |
6 |
4 |
1513 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
16384 |
87.0 |
-1.9 |
0.373 |
0 |
0 |
0 |
0.019 |
| 14 |
20 |
|
G |
9 |
4 |
1389 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
16420 |
56.7 |
-1.4 |
0.475 |
0 |
0 |
0 |
0.013 |
| 15 |
21 |
|
[ATP]A:502 |
5 |
1 |
648 |
f |
[CA]A:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
33.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.136 |
22 |
|
[ATP]B:502 |
5 |
1 |
647 |
f |
[CA]B:501 |
x,y,z |
1_555 |
1 |
1 |
85 |
33.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.136 |
| Average: |
33.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.136 |
| 16 |
23 |
|
[CA]A:501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
17981 |
33.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.104 |
24 |
|
[CA]B:501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
17910 |
32.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
32.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.104 |
| 17 |
25 |
|
H |
4 |
3 |
1513 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
17910 |
14.4 |
-0.3 |
0.636 |
0 |
0 |
0 |
0.003 |
| 18 |
26 |
|
G |
3 |
3 |
1389 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
17981 |
9.7 |
-0.2 |
0.605 |
0 |
0 |
0 |
0.002 |
| 19 |
27 |
|
[ATP]B:502 |
1 |
1 |
647 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16384 |
6.5 |
0.0 |
0.348 |
0 |
0 |
0 |
0.000 |
28 |
|
[ATP]A:502 |
1 |
1 |
648 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
16420 |
5.4 |
0.0 |
0.375 |
0 |
0 |
0 |
0.000 |
| Average: |
5.9 |
0.0 |
0.361 |
0 |
0 |
0 |
0.000 |
|