## |
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 |
253 |
64 |
15304 |
◊ |
C |
-x+1,y,-z+1/2 |
3_655 |
254 |
64 |
15304 |
2501.5 |
-18.4 |
0.192 |
38 |
12 |
0 |
0.270 |
2 |
|
A |
245 |
63 |
15334 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
245 |
63 |
15334 |
2492.5 |
-20.9 |
0.123 |
32 |
10 |
0 |
0.270 |
3 |
|
B |
245 |
61 |
14935 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
245 |
61 |
14935 |
2330.7 |
-23.1 |
0.068 |
32 |
8 |
0 |
0.270 |
Average: |
2441.5 |
-20.8 |
0.128 |
34 |
10 |
0 |
0.270 |
2 |
4 |
|
B |
105 |
29 |
14935 |
◊ |
A |
x,y,z |
1_555 |
100 |
29 |
15334 |
959.5 |
-5.8 |
0.375 |
13 |
0 |
0 |
0.010 |
3 |
5 |
|
B |
51 |
14 |
14935 |
◊ |
C |
x-1/2,y+1/2,z |
5_455 |
59 |
18 |
15304 |
535.6 |
-5.9 |
0.202 |
3 |
0 |
0 |
0.006 |
4 |
6 |
|
[ATP]A:401 |
31 |
1 |
605 |
f |
A |
x,y,z |
1_555 |
56 |
24 |
15334 |
426.6 |
-3.7 |
0.389 |
9 |
0 |
0 |
0.111 |
7 |
|
[ATP]C:401 |
31 |
1 |
609 |
f |
C |
x,y,z |
1_555 |
59 |
25 |
15304 |
425.0 |
-3.5 |
0.424 |
9 |
0 |
0 |
0.111 |
8 |
|
[ATP]B:401 |
31 |
1 |
609 |
f |
B |
x,y,z |
1_555 |
57 |
23 |
14935 |
423.6 |
-3.3 |
0.420 |
9 |
0 |
0 |
0.111 |
Average: |
425.1 |
-3.5 |
0.411 |
9 |
0 |
0 |
0.111 |
5 |
9 |
|
C |
37 |
9 |
15304 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
45 |
19 |
15334 |
357.9 |
-2.3 |
0.407 |
5 |
3 |
0 |
0.000 |
10 |
|
C |
41 |
18 |
15304 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
37 |
8 |
15334 |
338.9 |
-3.0 |
0.316 |
3 |
0 |
0 |
0.000 |
Average: |
348.4 |
-2.7 |
0.362 |
4 |
2 |
0 |
0.000 |
6 |
11 |
|
C |
30 |
4 |
15304 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
5 |
15334 |
266.5 |
-3.7 |
0.241 |
2 |
0 |
0 |
0.000 |
7 |
12 |
|
C |
37 |
13 |
15304 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
15334 |
219.9 |
2.9 |
0.849 |
6 |
2 |
0 |
0.000 |
8 |
13 |
|
[PEG]A:406 |
7 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
15334 |
135.3 |
3.8 |
0.425 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
B |
12 |
6 |
14935 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
9 |
3 |
15334 |
73.4 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[CA]A:404 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15334 |
51.5 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.156 |
16 |
|
[CA]B:404 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14935 |
44.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.156 |
Average: |
48.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.156 |
11 |
17 |
|
[CA]C:404 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
15304 |
50.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.134 |
18 |
|
[CA]A:405 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
15334 |
48.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.134 |
19 |
|
[CA]B:406 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14935 |
46.3 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.134 |
Average: |
48.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.134 |
12 |
20 |
|
[ATP]B:401 |
4 |
1 |
609 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
2 |
2 |
14935 |
42.1 |
-0.2 |
0.565 |
2 |
0 |
0 |
0.019 |
21 |
|
[ATP]C:401 |
4 |
1 |
609 |
◊ |
C |
-x+1,y,-z+1/2 |
3_655 |
2 |
2 |
15304 |
38.0 |
-0.4 |
0.540 |
2 |
0 |
0 |
0.019 |
22 |
|
[ATP]A:401 |
4 |
1 |
605 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
2 |
2 |
15334 |
36.8 |
-0.5 |
0.529 |
1 |
0 |
0 |
0.019 |
Average: |
39.0 |
-0.4 |
0.545 |
2 |
0 |
0 |
0.019 |
13 |
23 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
14935 |
41.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.098 |
24 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
15334 |
38.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.098 |
25 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
15304 |
38.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
39.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.098 |
14 |
26 |
|
[CA]B:405 |
1 |
1 |
85 |
f |
C |
x-1/2,y+1/2,z |
5_455 |
7 |
3 |
15304 |
33.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.086 |
15 |
27 |
|
C |
3 |
1 |
15304 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14935 |
32.5 |
1.1 |
0.835 |
1 |
0 |
0 |
0.000 |
16 |
28 |
|
[CA]C:402 |
1 |
1 |
85 |
f |
[ATP]C:401 |
x,y,z |
1_555 |
7 |
1 |
609 |
32.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.097 |
29 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
[ATP]B:401 |
x,y,z |
1_555 |
6 |
1 |
609 |
31.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.097 |
30 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
[ATP]A:401 |
x,y,z |
1_555 |
7 |
1 |
605 |
31.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
32.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.097 |
17 |
31 |
|
[CA]C:402 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
15304 |
29.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.083 |
32 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
14935 |
29.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.083 |
33 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15334 |
28.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
29.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.083 |
18 |
34 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
[ATP]C:401 |
x,y,z |
1_555 |
3 |
1 |
609 |
29.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.081 |
35 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
[ATP]A:401 |
x,y,z |
1_555 |
3 |
1 |
605 |
29.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.081 |
36 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
[ATP]B:401 |
x,y,z |
1_555 |
3 |
1 |
609 |
28.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
29.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.081 |
19 |
37 |
|
[CA]B:405 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
14935 |
28.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.004 |
20 |
38 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
6.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.029 |
21 |
39 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
[CA]B:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.024 |
22 |
40 |
|
[CA]C:403 |
1 |
1 |
85 |
f |
[CA]C:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.024 |
|