## |
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 |
|
C |
101 |
25 |
15906 |
◊ |
C |
-x,y,-z-1 |
2_554 |
101 |
25 |
15906 |
886.0 |
-6.6 |
0.324 |
8 |
4 |
0 |
0.106 |
2 |
|
A |
96 |
23 |
15700 |
◊ |
A |
-x,y,-z |
2_555 |
95 |
23 |
15700 |
819.7 |
-7.5 |
0.240 |
4 |
6 |
0 |
0.106 |
Average: |
852.8 |
-7.1 |
0.282 |
6 |
5 |
0 |
0.106 |
2 |
3 |
|
B |
76 |
15 |
2509 |
◊ |
A |
x,y,z |
1_555 |
94 |
27 |
15700 |
852.1 |
-13.0 |
0.194 |
9 |
4 |
0 |
0.314 |
4 |
|
D |
78 |
16 |
2495 |
◊ |
C |
x,y,z |
1_555 |
91 |
25 |
15906 |
815.9 |
-12.7 |
0.212 |
9 |
4 |
0 |
0.314 |
Average: |
834.0 |
-12.9 |
0.203 |
9 |
4 |
0 |
0.314 |
3 |
5 |
|
[ATP]A:401 |
31 |
1 |
646 |
f |
A |
x,y,z |
1_555 |
72 |
25 |
15700 |
465.8 |
-4.0 |
0.454 |
16 |
0 |
0 |
0.231 |
6 |
|
[ATP]C:401 |
31 |
1 |
644 |
f |
C |
x,y,z |
1_555 |
73 |
24 |
15906 |
464.8 |
-3.9 |
0.467 |
15 |
0 |
0 |
0.231 |
Average: |
465.3 |
-3.9 |
0.461 |
16 |
0 |
0 |
0.231 |
4 |
7 |
|
A |
54 |
18 |
15700 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
62 |
20 |
15700 |
461.0 |
-0.3 |
0.582 |
4 |
3 |
0 |
0.000 |
8 |
|
C |
52 |
16 |
15906 |
x |
C |
-x+1/2,y-1/2,-z-1 |
4_544 |
63 |
21 |
15906 |
446.9 |
-1.1 |
0.551 |
4 |
3 |
0 |
0.000 |
Average: |
453.9 |
-0.7 |
0.567 |
4 |
3 |
0 |
0.000 |
5 |
9 |
|
C |
43 |
11 |
15906 |
◊ |
A |
x,y,z |
1_555 |
38 |
13 |
15700 |
344.9 |
-0.4 |
0.607 |
5 |
2 |
0 |
0.000 |
6 |
10 |
|
A |
45 |
15 |
15700 |
◊ |
B |
x,y-1,z |
1_545 |
33 |
8 |
2509 |
300.1 |
0.9 |
0.755 |
1 |
2 |
0 |
0.000 |
11 |
|
C |
35 |
16 |
15906 |
◊ |
D |
x,y-1,z |
1_545 |
22 |
7 |
2495 |
243.2 |
1.3 |
0.816 |
0 |
1 |
0 |
0.000 |
Average: |
271.7 |
1.1 |
0.786 |
1 |
2 |
0 |
0.000 |
7 |
12 |
|
C |
18 |
8 |
15906 |
◊ |
D |
-x+1/2,y-1/2,-z-1 |
4_544 |
12 |
3 |
2495 |
155.1 |
0.6 |
0.704 |
3 |
1 |
0 |
0.000 |
13 |
|
A |
18 |
8 |
15700 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
12 |
3 |
2509 |
148.7 |
0.6 |
0.720 |
3 |
1 |
0 |
0.000 |
Average: |
151.9 |
0.6 |
0.712 |
3 |
1 |
0 |
0.000 |
8 |
14 |
|
C |
11 |
3 |
15906 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
4_544 |
9 |
4 |
15700 |
107.4 |
-1.2 |
0.339 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
D |
8 |
3 |
2495 |
◊ |
C |
-x,y,-z-1 |
2_554 |
9 |
3 |
15906 |
97.3 |
-0.8 |
0.512 |
0 |
0 |
0 |
0.010 |
16 |
|
B |
11 |
3 |
2509 |
◊ |
A |
-x,y,-z |
2_555 |
10 |
3 |
15700 |
97.0 |
-0.3 |
0.656 |
0 |
0 |
0 |
0.010 |
Average: |
97.2 |
-0.6 |
0.584 |
0 |
0 |
0 |
0.010 |
10 |
17 |
|
D |
5 |
1 |
2495 |
◊ |
D |
-x,y,-z-1 |
2_554 |
5 |
1 |
2495 |
60.6 |
-1.9 |
0.282 |
0 |
0 |
0 |
0.014 |
18 |
|
B |
4 |
1 |
2509 |
◊ |
B |
-x,y,-z |
2_555 |
4 |
1 |
2509 |
58.4 |
-1.8 |
0.246 |
0 |
0 |
0 |
0.014 |
Average: |
59.5 |
-1.9 |
0.264 |
0 |
0 |
0 |
0.014 |
11 |
19 |
|
C |
8 |
4 |
15906 |
◊ |
A |
x,y-1,z-1 |
1_544 |
12 |
6 |
15700 |
57.3 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15700 |
46.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.149 |
21 |
|
[CA]C:402 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
15906 |
45.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.149 |
Average: |
45.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.149 |
13 |
22 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15700 |
38.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.163 |
23 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
15906 |
32.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.163 |
Average: |
35.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.163 |
14 |
24 |
|
A |
5 |
3 |
15700 |
f |
[CA]B:101 |
x,y-1,z |
1_545 |
1 |
1 |
85 |
37.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.131 |
25 |
|
C |
5 |
3 |
15906 |
f |
[CA]D:101 |
x,y-1,z |
1_545 |
1 |
1 |
85 |
32.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
34.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.131 |
15 |
26 |
|
[CA]D:101 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
2495 |
36.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[CA]B:101 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
2509 |
35.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
35.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
28 |
|
[CA]C:404 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
15906 |
30.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.093 |
17 |
29 |
|
[CA]C:402 |
1 |
1 |
85 |
f |
[ATP]C:401 |
x,y,z |
1_555 |
5 |
1 |
644 |
30.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.127 |
30 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
[ATP]A:401 |
x,y,z |
1_555 |
4 |
1 |
646 |
30.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
30.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.127 |
18 |
31 |
|
[CA]C:403 |
1 |
1 |
85 |
◊ |
C |
-x,y,-z-1 |
2_554 |
4 |
1 |
15906 |
29.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.093 |
32 |
|
[CA]A:403 |
1 |
1 |
85 |
◊ |
A |
-x,y,-z |
2_555 |
4 |
2 |
15700 |
27.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
28.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.093 |
19 |
33 |
|
[CA]C:404 |
1 |
1 |
85 |
◊ |
C |
-x,y,-z-1 |
2_554 |
3 |
1 |
15906 |
24.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.069 |
20 |
34 |
|
C |
1 |
1 |
15906 |
x |
C |
x,y-1,z |
1_545 |
4 |
2 |
15906 |
20.7 |
0.9 |
0.902 |
0 |
1 |
0 |
0.000 |
35 |
|
A |
3 |
2 |
15700 |
x |
A |
x,y-1,z |
1_545 |
2 |
2 |
15700 |
10.9 |
0.2 |
0.725 |
0 |
0 |
0 |
0.000 |
Average: |
15.8 |
0.6 |
0.813 |
0 |
1 |
0 |
0.000 |
21 |
36 |
|
[CA]C:404 |
1 |
1 |
85 |
◊ |
[CA]C:403 |
-x,y,-z-1 |
2_554 |
1 |
1 |
85 |
10.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.052 |
22 |
37 |
|
[CA]C:404 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15700 |
7.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|