| ## |
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 |
118 |
35 |
12051 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
119 |
34 |
12141 |
1011.7 |
-5.1 |
0.491 |
9 |
3 |
0 |
0.000 |
2 |
|
D |
113 |
35 |
11988 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
118 |
34 |
12269 |
1009.0 |
-4.7 |
0.543 |
10 |
3 |
0 |
0.000 |
| Average: |
1010.3 |
-4.9 |
0.517 |
10 |
3 |
0 |
0.000 |
| 2 |
3 |
|
D |
99 |
31 |
11988 |
◊ |
C |
x,y,z |
1_555 |
98 |
30 |
12051 |
864.0 |
-5.4 |
0.411 |
9 |
0 |
0 |
0.176 |
4 |
|
B |
93 |
29 |
12269 |
◊ |
A |
x,y,z |
1_555 |
96 |
29 |
12141 |
796.9 |
-5.7 |
0.408 |
12 |
0 |
0 |
0.176 |
| Average: |
830.4 |
-5.6 |
0.410 |
11 |
0 |
0 |
0.176 |
| 3 |
5 |
|
C |
42 |
12 |
12051 |
◊ |
B |
x,y,z |
1_555 |
42 |
12 |
12269 |
383.5 |
-3.5 |
0.355 |
3 |
0 |
0 |
0.000 |
6 |
|
D |
43 |
12 |
11988 |
◊ |
A |
x,y-1,z |
1_545 |
44 |
12 |
12141 |
381.2 |
-3.4 |
0.359 |
3 |
0 |
0 |
0.000 |
| Average: |
382.3 |
-3.5 |
0.357 |
3 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[ATP]B:1 |
27 |
1 |
633 |
f |
B |
x,y,z |
1_555 |
40 |
15 |
12269 |
307.8 |
-2.7 |
0.501 |
17 |
0 |
0 |
0.337 |
8 |
|
[ATP]A:1 |
27 |
1 |
635 |
f |
A |
x,y,z |
1_555 |
41 |
15 |
12141 |
305.4 |
-2.5 |
0.524 |
19 |
0 |
0 |
0.337 |
9 |
|
[ATP]D:1 |
27 |
1 |
629 |
f |
D |
x,y,z |
1_555 |
39 |
14 |
11988 |
299.5 |
-2.5 |
0.473 |
14 |
0 |
0 |
0.337 |
10 |
|
[ATP]C:1 |
28 |
1 |
633 |
f |
C |
x,y,z |
1_555 |
36 |
14 |
12051 |
297.2 |
-2.6 |
0.475 |
14 |
0 |
0 |
0.337 |
| Average: |
302.5 |
-2.6 |
0.493 |
16 |
0 |
0 |
0.337 |
| 5 |
11 |
|
C |
32 |
10 |
12051 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
24 |
8 |
12269 |
270.7 |
-2.4 |
0.348 |
4 |
0 |
0 |
0.000 |
12 |
|
D |
32 |
10 |
11988 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
8 |
12141 |
250.5 |
-1.9 |
0.398 |
3 |
0 |
0 |
0.000 |
| Average: |
260.6 |
-2.1 |
0.373 |
4 |
0 |
0 |
0.000 |
| 6 |
13 |
|
[ATP]A:1 |
22 |
1 |
635 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
12269 |
204.6 |
0.1 |
0.647 |
5 |
0 |
0 |
0.078 |
14 |
|
[ATP]B:1 |
22 |
1 |
633 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
12141 |
200.9 |
-0.1 |
0.625 |
6 |
0 |
0 |
0.078 |
15 |
|
[ATP]C:1 |
23 |
1 |
633 |
◊ |
D |
x,y,z |
1_555 |
32 |
10 |
11988 |
200.1 |
-0.2 |
0.583 |
5 |
0 |
0 |
0.078 |
16 |
|
[ATP]D:1 |
22 |
1 |
629 |
◊ |
C |
x,y,z |
1_555 |
31 |
10 |
12051 |
198.9 |
-0.1 |
0.584 |
3 |
0 |
0 |
0.078 |
| Average: |
201.1 |
-0.1 |
0.610 |
5 |
0 |
0 |
0.078 |
| 7 |
17 |
|
A |
25 |
9 |
12141 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
24 |
4 |
12269 |
199.3 |
-1.1 |
0.356 |
1 |
0 |
0 |
0.000 |
18 |
|
C |
24 |
4 |
12051 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
25 |
9 |
12269 |
196.7 |
-0.8 |
0.386 |
1 |
0 |
0 |
0.000 |
19 |
|
C |
17 |
6 |
12051 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
21 |
4 |
11988 |
157.9 |
-1.2 |
0.331 |
0 |
0 |
0 |
0.000 |
| Average: |
184.6 |
-1.0 |
0.358 |
1 |
0 |
0 |
0.000 |
| 8 |
20 |
|
A |
22 |
4 |
12141 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
22 |
8 |
11988 |
170.4 |
-0.7 |
0.481 |
0 |
0 |
0 |
0.000 |
| 9 |
21 |
|
[GOL]B:4 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
12141 |
139.2 |
-0.2 |
0.568 |
6 |
0 |
0 |
0.046 |
| 10 |
22 |
|
[GOL]D:3 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
11988 |
124.3 |
-1.5 |
0.342 |
2 |
0 |
0 |
0.043 |
| 11 |
23 |
|
[GOL]C:3 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
12051 |
123.7 |
-1.3 |
0.364 |
2 |
0 |
0 |
0.039 |
| 12 |
24 |
|
[GOL]A:3 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
12141 |
121.6 |
-1.1 |
0.405 |
1 |
0 |
0 |
0.025 |
| 13 |
25 |
|
[GOL]B:3 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
12269 |
121.1 |
-0.8 |
0.448 |
0 |
0 |
0 |
0.013 |
| 14 |
26 |
|
C |
5 |
2 |
12051 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12141 |
41.2 |
-0.7 |
0.340 |
0 |
0 |
0 |
0.000 |
27 |
|
D |
5 |
2 |
11988 |
◊ |
B |
x,y-1,z |
1_545 |
6 |
2 |
12269 |
39.1 |
-0.6 |
0.369 |
0 |
0 |
0 |
0.000 |
| Average: |
40.2 |
-0.6 |
0.355 |
0 |
0 |
0 |
0.000 |
| 15 |
28 |
|
D |
5 |
2 |
11988 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12269 |
40.4 |
-0.9 |
0.263 |
0 |
0 |
0 |
0.000 |
29 |
|
C |
3 |
2 |
12051 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
12141 |
33.4 |
-0.6 |
0.312 |
0 |
0 |
0 |
0.000 |
| Average: |
36.9 |
-0.7 |
0.288 |
0 |
0 |
0 |
0.000 |
| 16 |
30 |
|
[MG]C:2 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
12051 |
39.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.143 |
31 |
|
[MG]B:2 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
12269 |
38.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.143 |
32 |
|
[MG]D:2 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
11988 |
38.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.143 |
33 |
|
[MG]A:2 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12141 |
37.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.143 |
| Average: |
38.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.143 |
| 17 |
34 |
|
[MG]A:2 |
1 |
1 |
98 |
f |
[ATP]A:1 |
x,y,z |
1_555 |
3 |
1 |
635 |
34.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.159 |
35 |
|
[MG]B:2 |
1 |
1 |
98 |
f |
[ATP]B:1 |
x,y,z |
1_555 |
3 |
1 |
633 |
34.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.159 |
36 |
|
[MG]C:2 |
1 |
1 |
98 |
f |
[ATP]C:1 |
x,y,z |
1_555 |
3 |
1 |
633 |
33.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.159 |
37 |
|
[MG]D:2 |
1 |
1 |
98 |
f |
[ATP]D:1 |
x,y,z |
1_555 |
3 |
1 |
629 |
33.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.159 |
| Average: |
33.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.159 |
| 18 |
38 |
|
[ATP]C:1 |
4 |
1 |
633 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
12141 |
25.4 |
0.7 |
0.740 |
1 |
0 |
0 |
0.000 |
39 |
|
[ATP]D:1 |
4 |
1 |
629 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
1 |
12269 |
22.0 |
0.6 |
0.714 |
1 |
0 |
0 |
0.000 |
| Average: |
23.7 |
0.7 |
0.727 |
1 |
0 |
0 |
0.000 |
| 19 |
40 |
|
[MG]A:2 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
12269 |
17.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.064 |
41 |
|
[MG]D:2 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
12051 |
17.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.064 |
42 |
|
[MG]B:2 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12141 |
17.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.064 |
43 |
|
[MG]C:2 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
11988 |
16.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
17.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.064 |
| 20 |
44 |
|
A |
1 |
1 |
12141 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
12269 |
1.2 |
-0.0 |
0.491 |
0 |
0 |
0 |
0.000 |
| 21 |
45 |
|
[GOL]D:3 |
1 |
1 |
217 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
12269 |
0.6 |
-0.0 |
0.520 |
0 |
0 |
0 |
0.000 |
|