## |
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 |
135 |
41 |
7925 |
◊ |
B |
x,y,z |
1_555 |
129 |
35 |
7792 |
1293.9 |
-10.6 |
0.197 |
23 |
10 |
0 |
0.405 |
2 |
|
C |
130 |
35 |
7925 |
◊ |
A |
x,y,z |
1_555 |
137 |
40 |
7897 |
1278.2 |
-8.2 |
0.331 |
20 |
8 |
0 |
0.405 |
3 |
|
B |
136 |
41 |
7792 |
◊ |
A |
x,y,z |
1_555 |
120 |
32 |
7897 |
1168.9 |
-10.9 |
0.183 |
16 |
8 |
0 |
0.405 |
Average: |
1247.0 |
-9.9 |
0.237 |
20 |
9 |
0 |
0.405 |
2 |
4 |
|
B |
44 |
14 |
7792 |
◊ |
A |
x-y,x,z+1/2 |
6_555 |
39 |
9 |
7897 |
333.5 |
-0.0 |
0.664 |
2 |
1 |
0 |
0.000 |
3 |
5 |
|
B |
38 |
10 |
7792 |
◊ |
A |
x-y,x,z-1/2 |
6_554 |
34 |
10 |
7897 |
304.4 |
-0.5 |
0.618 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
[ATP]C:1116 |
31 |
1 |
598 |
f |
C |
x,y,z |
1_555 |
45 |
16 |
7925 |
291.1 |
-5.0 |
0.295 |
5 |
0 |
0 |
0.150 |
7 |
|
[ATP]A:1116 |
31 |
1 |
599 |
f |
A |
x,y,z |
1_555 |
45 |
16 |
7897 |
286.4 |
-5.0 |
0.337 |
5 |
0 |
0 |
0.150 |
8 |
|
[ATP]B:1116 |
31 |
1 |
603 |
f |
B |
x,y,z |
1_555 |
47 |
17 |
7792 |
284.4 |
-5.1 |
0.294 |
6 |
0 |
0 |
0.150 |
Average: |
287.3 |
-5.0 |
0.308 |
5 |
0 |
0 |
0.150 |
5 |
9 |
|
C |
26 |
8 |
7925 |
x |
C |
-x+1,-y+1,z-1/2 |
4_664 |
30 |
10 |
7925 |
264.4 |
3.3 |
0.812 |
5 |
2 |
0 |
0.000 |
6 |
10 |
|
[ATP]A:1116 |
23 |
1 |
599 |
◊ |
C |
x,y,z |
1_555 |
33 |
10 |
7925 |
218.7 |
0.7 |
0.674 |
9 |
0 |
0 |
0.060 |
11 |
|
[ATP]C:1116 |
22 |
1 |
598 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
7792 |
215.5 |
0.7 |
0.678 |
8 |
0 |
0 |
0.060 |
12 |
|
[ATP]B:1116 |
21 |
1 |
603 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
7897 |
202.1 |
0.8 |
0.693 |
8 |
0 |
0 |
0.060 |
Average: |
212.1 |
0.7 |
0.682 |
8 |
0 |
0 |
0.060 |
7 |
13 |
|
C |
12 |
4 |
7925 |
◊ |
B |
-x+1,-y+1,z-1/2 |
4_664 |
18 |
5 |
7792 |
117.5 |
2.1 |
0.815 |
2 |
1 |
0 |
0.000 |
8 |
14 |
|
[EDO]C:1119 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
7925 |
99.7 |
2.7 |
0.414 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
A |
13 |
7 |
7897 |
x |
A |
x-y,x,z+1/2 |
6_555 |
11 |
3 |
7897 |
93.2 |
-0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[EDO]A:1120 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
7897 |
85.8 |
1.5 |
0.717 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[ACT]C:1120 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
7925 |
83.4 |
0.8 |
0.794 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
C |
9 |
3 |
7925 |
◊ |
[EDO]B:1120 |
-x+1,-y+1,z-1/2 |
4_664 |
4 |
1 |
185 |
67.3 |
1.4 |
0.610 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[EDO]B:1119 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
7792 |
66.6 |
2.2 |
0.852 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
C |
7 |
3 |
7925 |
x |
C |
x-y,x,z-1/2 |
6_554 |
8 |
3 |
7925 |
62.0 |
-1.1 |
0.328 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[EDO]A:1120 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
7925 |
58.8 |
1.5 |
0.674 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]B:1120 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
7792 |
56.2 |
1.4 |
0.802 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[CL]B:1118 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7897 |
50.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.037 |
18 |
24 |
|
B |
5 |
2 |
7792 |
◊ |
C |
x-y,x,z-1/2 |
6_554 |
9 |
3 |
7925 |
49.3 |
0.8 |
0.648 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[ACT]A:1122 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
7792 |
49.0 |
-0.0 |
0.687 |
1 |
0 |
0 |
0.003 |
20 |
26 |
|
[MG]B:1117 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7792 |
47.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.100 |
27 |
|
[MG]C:1117 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
7925 |
45.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.100 |
28 |
|
[MG]A:1117 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7897 |
43.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
45.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.100 |
21 |
29 |
|
[ACT]A:1122 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
7897 |
47.8 |
0.2 |
0.746 |
1 |
0 |
0 |
0.001 |
22 |
30 |
|
[CL]C:1118 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
7897 |
47.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.041 |
23 |
31 |
|
[EDO]B:1119 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
7925 |
46.9 |
1.4 |
0.877 |
1 |
0 |
0 |
0.000 |
24 |
32 |
|
A |
8 |
4 |
7897 |
f |
[CL]A:1119 |
x-y,x,z+1/2 |
6_555 |
1 |
1 |
125 |
46.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.039 |
25 |
33 |
|
[ACT]A:1121 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
7925 |
46.2 |
-0.6 |
0.481 |
0 |
0 |
0 |
0.004 |
26 |
34 |
|
[CL]C:1118 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
7925 |
44.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.032 |
27 |
35 |
|
[ACT]A:1121 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7897 |
42.0 |
0.3 |
0.688 |
1 |
0 |
0 |
0.000 |
28 |
36 |
|
[ACT]A:1122 |
3 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
7925 |
40.6 |
0.8 |
0.841 |
2 |
0 |
0 |
0.000 |
29 |
37 |
|
[CL]A:1119 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7897 |
40.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[ACT]A:1121 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
7792 |
39.1 |
0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
[CL]A:1118 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
7897 |
35.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.073 |
40 |
|
[CL]A:1118 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
7792 |
35.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.073 |
41 |
|
[CL]A:1118 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
7925 |
35.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
35.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.073 |
32 |
42 |
|
[CL]B:1118 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
7792 |
33.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.026 |
33 |
43 |
|
[CL]B:1118 |
1 |
1 |
125 |
◊ |
[ATP]B:1116 |
x,y,z |
1_555 |
4 |
1 |
603 |
33.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.024 |
34 |
44 |
|
[MG]A:1117 |
1 |
1 |
98 |
f |
[ATP]A:1116 |
x,y,z |
1_555 |
4 |
1 |
599 |
32.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.104 |
45 |
|
[MG]C:1117 |
1 |
1 |
98 |
f |
[ATP]C:1116 |
x,y,z |
1_555 |
4 |
1 |
598 |
32.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.104 |
46 |
|
[MG]B:1117 |
1 |
1 |
98 |
f |
[ATP]B:1116 |
x,y,z |
1_555 |
4 |
1 |
603 |
31.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
31.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.104 |
35 |
47 |
|
[ACT]A:1122 |
4 |
1 |
182 |
◊ |
[ACT]A:1121 |
x,y,z |
1_555 |
4 |
1 |
183 |
28.1 |
-0.2 |
0.764 |
0 |
0 |
0 |
0.001 |
36 |
48 |
|
[EDO]B:1119 |
2 |
1 |
185 |
f |
C |
-x+1,-y+1,z-1/2 |
4_664 |
2 |
1 |
7925 |
18.0 |
0.3 |
0.735 |
0 |
0 |
0 |
0.000 |
37 |
49 |
|
B |
2 |
1 |
7792 |
◊ |
[CL]C:1118 |
x-y,x,z-1/2 |
6_554 |
1 |
1 |
125 |
13.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
50 |
|
[MG]A:1117 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
7925 |
7.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
51 |
|
[MG]C:1117 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7792 |
6.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
52 |
|
[MG]B:1117 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7897 |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
5.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
39 |
53 |
|
A |
3 |
3 |
7897 |
◊ |
B |
x-y,x,z+1/2 |
6_555 |
3 |
2 |
7792 |
7.1 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
C |
1 |
1 |
7925 |
◊ |
A |
x-y,x,z-1/2 |
6_554 |
1 |
1 |
7897 |
6.1 |
0.2 |
0.780 |
0 |
0 |
0 |
0.000 |
|