| ## |
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 |
136 |
40 |
7810 |
◊ |
B |
x,y,z |
1_555 |
133 |
34 |
8619 |
1309.1 |
-12.6 |
0.134 |
21 |
10 |
0 |
0.436 |
2 |
|
B |
126 |
35 |
8619 |
◊ |
A |
x,y,z |
1_555 |
117 |
33 |
7576 |
1186.2 |
-6.5 |
0.463 |
25 |
13 |
0 |
0.436 |
3 |
|
C |
111 |
33 |
7810 |
◊ |
A |
x,y,z |
1_555 |
122 |
34 |
7576 |
1130.0 |
-9.9 |
0.279 |
21 |
10 |
0 |
0.436 |
| Average: |
1208.4 |
-9.7 |
0.292 |
22 |
11 |
0 |
0.436 |
| 2 |
4 |
|
C |
55 |
17 |
7810 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
51 |
15 |
7576 |
507.1 |
-3.1 |
0.450 |
1 |
3 |
0 |
0.000 |
| 3 |
5 |
|
C |
48 |
18 |
7810 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
43 |
11 |
8619 |
429.0 |
0.3 |
0.661 |
7 |
3 |
0 |
0.000 |
| 4 |
6 |
|
[ATP]B:1118 |
30 |
1 |
602 |
f |
B |
x,y,z |
1_555 |
43 |
17 |
8619 |
308.7 |
-5.9 |
0.294 |
8 |
0 |
0 |
0.125 |
7 |
|
[ATP]A:1115 |
30 |
1 |
593 |
f |
A |
x,y,z |
1_555 |
48 |
17 |
7576 |
303.3 |
-4.9 |
0.397 |
9 |
0 |
0 |
0.125 |
| Average: |
306.0 |
-5.4 |
0.345 |
9 |
0 |
0 |
0.125 |
| 5 |
8 |
|
[ATP]C:1115 |
31 |
1 |
600 |
f |
C |
x,y,z |
1_555 |
45 |
16 |
7810 |
292.2 |
-5.1 |
0.284 |
5 |
0 |
0 |
0.050 |
| 6 |
9 |
|
C |
28 |
10 |
7810 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
34 |
8 |
7576 |
264.8 |
1.9 |
0.782 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
29 |
10 |
8619 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
24 |
7 |
8619 |
244.3 |
1.1 |
0.716 |
5 |
3 |
0 |
0.000 |
| 8 |
11 |
|
[ATP]A:1115 |
22 |
1 |
593 |
◊ |
C |
x,y,z |
1_555 |
37 |
12 |
7810 |
222.9 |
2.1 |
0.740 |
7 |
0 |
0 |
0.014 |
12 |
|
[ATP]B:1118 |
21 |
1 |
602 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
7576 |
222.0 |
1.6 |
0.752 |
6 |
0 |
0 |
0.014 |
| Average: |
222.4 |
1.8 |
0.746 |
7 |
0 |
0 |
0.014 |
| 9 |
13 |
|
[ATP]C:1115 |
22 |
1 |
600 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
8619 |
216.5 |
0.6 |
0.669 |
8 |
0 |
0 |
0.020 |
| 10 |
14 |
|
A |
21 |
5 |
7576 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
21 |
7 |
8619 |
158.1 |
-2.6 |
0.342 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[AKG]C:1119 |
10 |
1 |
283 |
f |
C |
x,y,z |
1_555 |
21 |
6 |
7810 |
143.5 |
2.6 |
0.548 |
3 |
0 |
0 |
0.000 |
| 12 |
16 |
|
C |
16 |
5 |
7810 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
19 |
6 |
8619 |
134.3 |
1.3 |
0.748 |
2 |
2 |
0 |
0.000 |
| 13 |
17 |
|
B |
10 |
5 |
8619 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
3 |
7576 |
93.6 |
0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[ACT]A:1116 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7576 |
72.1 |
-0.4 |
0.656 |
0 |
0 |
0 |
0.003 |
| 15 |
19 |
|
[NA]B:1119 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
8619 |
56.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.051 |
| 16 |
20 |
|
C |
4 |
2 |
7810 |
◊ |
[ACT]A:1116 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
182 |
50.9 |
0.3 |
0.756 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[CL]A:1118 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
7576 |
46.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.077 |
22 |
|
[CL]C:1118 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
8619 |
45.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
46.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.077 |
| 18 |
23 |
|
[CL]C:1117 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
7810 |
46.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.038 |
| 19 |
24 |
|
[MG]C:1116 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
7810 |
45.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.033 |
| 20 |
25 |
|
[NA]B:1119 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
7810 |
44.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.037 |
| 21 |
26 |
|
[CL]C:1118 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
7810 |
42.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.062 |
27 |
|
[CL]A:1118 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8619 |
40.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.062 |
| Average: |
41.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.062 |
| 22 |
28 |
|
[CL]A:1117 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
7576 |
33.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.068 |
29 |
|
[CL]A:1117 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
7810 |
32.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.068 |
30 |
|
[CL]A:1117 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
8619 |
31.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.068 |
| Average: |
32.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.068 |
| 23 |
31 |
|
[MG]C:1116 |
1 |
1 |
98 |
f |
[ATP]C:1115 |
x,y,z |
1_555 |
4 |
1 |
600 |
32.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.035 |
| 24 |
32 |
|
[CL]C:1117 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
8619 |
28.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.024 |
33 |
|
[CL]C:1117 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
7576 |
23.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
26.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.024 |
| 25 |
34 |
|
C |
1 |
1 |
7810 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
8619 |
15.8 |
0.7 |
0.910 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[CL]C:1117 |
1 |
1 |
125 |
◊ |
[CL]A:1117 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.014 |
| 27 |
36 |
|
B |
2 |
2 |
8619 |
◊ |
[ACT]A:1116 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
182 |
9.9 |
-0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
B |
2 |
2 |
8619 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
7810 |
8.4 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
[MG]C:1116 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8619 |
6.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
| 30 |
39 |
|
[ACT]A:1116 |
1 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8619 |
2.4 |
0.0 |
0.562 |
0 |
0 |
0 |
0.000 |
|