## |
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 |
|
A |
33 |
6 |
15767 |
◊ |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
44 |
7 |
15676 |
308.1 |
-12.1 |
0.632 |
1 |
0 |
0 |
0.108 |
2 |
2 |
|
B |
35 |
5 |
15676 |
◊ |
A |
x-1/2,-y-1/2,-z |
7_445 |
42 |
6 |
15767 |
303.5 |
-8.0 |
0.834 |
4 |
0 |
0 |
0.077 |
3 |
3 |
|
B |
33 |
8 |
15676 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
8_444 |
29 |
5 |
15767 |
269.4 |
-8.0 |
0.730 |
3 |
0 |
0 |
0.074 |
4 |
4 |
|
B |
29 |
4 |
15676 |
◊ |
A |
x,y,z |
1_555 |
30 |
4 |
15767 |
195.9 |
0.2 |
0.958 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
[NCO]B:205 |
6 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
15676 |
175.0 |
-3.2 |
0.360 |
7 |
0 |
0 |
0.055 |
6 |
6 |
|
[NCO]A:203 |
6 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
15767 |
174.6 |
-3.4 |
0.438 |
4 |
0 |
0 |
0.044 |
7 |
7 |
|
[NCO]B:203 |
6 |
1 |
269 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
15676 |
160.6 |
-1.4 |
0.580 |
5 |
0 |
0 |
0.031 |
8 |
8 |
|
[NCO]A:205 |
6 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
15767 |
156.6 |
-0.7 |
0.520 |
4 |
0 |
0 |
0.022 |
9 |
9 |
|
[NCO]A:211 |
6 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
15767 |
148.2 |
-3.1 |
0.409 |
6 |
0 |
0 |
0.049 |
10 |
10 |
|
[NCO]B:210 |
6 |
1 |
269 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
15676 |
146.7 |
-2.2 |
0.422 |
5 |
0 |
0 |
0.038 |
11 |
11 |
|
[CCC]A:105 |
15 |
1 |
482 |
cf |
A |
x,y,z |
1_555 |
20 |
2 |
15767 |
142.4 |
2.4 |
0.729 |
1 |
0 |
0 |
0.000 |
12 |
12 |
|
[CCC]B:105 |
15 |
1 |
492 |
cf |
B |
x,y,z |
1_555 |
22 |
2 |
15676 |
140.7 |
1.7 |
0.734 |
1 |
0 |
0 |
0.000 |
13 |
13 |
|
[NCO]B:208 |
6 |
1 |
269 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
15676 |
137.6 |
-3.6 |
0.352 |
4 |
0 |
0 |
0.046 |
14 |
14 |
|
[NCO]A:204 |
6 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
23 |
5 |
15767 |
137.2 |
-3.2 |
0.222 |
6 |
0 |
0 |
0.050 |
15 |
15 |
|
[NCO]A:210 |
6 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
15767 |
135.0 |
-4.1 |
0.220 |
4 |
0 |
0 |
0.051 |
16 |
16 |
|
[GTP]A:3 |
17 |
1 |
580 |
cf |
A |
x,y,z |
1_555 |
20 |
2 |
15767 |
134.6 |
0.4 |
0.756 |
0 |
0 |
0 |
0.000 |
17 |
|
[GTP]B:3 |
17 |
1 |
600 |
cf |
B |
x,y,z |
1_555 |
17 |
2 |
15676 |
128.4 |
0.9 |
0.823 |
0 |
0 |
0 |
0.000 |
Average: |
131.5 |
0.6 |
0.790 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[NCO]B:202 |
5 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
15676 |
133.3 |
-3.2 |
0.268 |
4 |
0 |
0 |
0.043 |
18 |
19 |
|
[NCO]A:207 |
5 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
15767 |
127.6 |
-2.1 |
0.432 |
5 |
0 |
0 |
0.037 |
19 |
20 |
|
[NCO]A:202 |
6 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
15767 |
124.4 |
-1.0 |
0.456 |
3 |
0 |
0 |
0.020 |
20 |
21 |
|
[NCO]B:201 |
5 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
15676 |
124.2 |
-0.8 |
0.549 |
3 |
0 |
0 |
0.018 |
21 |
22 |
|
[NCO]B:204 |
6 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
15676 |
116.6 |
-1.8 |
0.270 |
5 |
0 |
0 |
0.035 |
22 |
23 |
|
[NCO]A:201 |
6 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
15767 |
115.9 |
-2.0 |
0.232 |
4 |
0 |
0 |
0.032 |
23 |
24 |
|
[NCO]B:206 |
5 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
15676 |
111.6 |
-2.6 |
0.260 |
3 |
0 |
0 |
0.034 |
24 |
25 |
|
[NCO]A:208 |
5 |
1 |
268 |
f |
B |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
13 |
3 |
15676 |
107.7 |
-2.8 |
0.251 |
6 |
0 |
0 |
0.047 |
25 |
26 |
|
[NCO]A:212 |
6 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
15767 |
105.5 |
-2.5 |
0.218 |
4 |
0 |
0 |
0.037 |
26 |
27 |
|
[NCO]A:206 |
6 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
15767 |
105.0 |
-2.5 |
0.291 |
3 |
0 |
0 |
0.033 |
27 |
28 |
|
[NCO]B:211 |
5 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
15676 |
98.7 |
0.0 |
0.162 |
3 |
0 |
0 |
0.011 |
28 |
29 |
|
[CCC]B:105 |
13 |
1 |
492 |
◊ |
[GTP]B:3 |
x,-y-1,-z-1 |
3_544 |
16 |
1 |
600 |
95.1 |
0.8 |
0.567 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[GTP]A:3 |
15 |
1 |
580 |
◊ |
[GTP]A:3 |
-x,y,-z+1/2 |
4_555 |
15 |
1 |
580 |
90.3 |
3.3 |
0.834 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[GTP]B:3 |
12 |
1 |
600 |
◊ |
[GTP]B:3 |
x,-y-1,-z-1 |
3_544 |
12 |
1 |
600 |
84.8 |
3.2 |
0.857 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[NCO]B:207 |
4 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
15676 |
84.7 |
-0.6 |
0.507 |
4 |
0 |
0 |
0.020 |
32 |
33 |
|
[CCC]A:105 |
11 |
1 |
482 |
◊ |
[GTP]A:3 |
-x,y,-z+1/2 |
4_555 |
12 |
1 |
580 |
80.0 |
1.3 |
0.587 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
[NCO]A:209 |
5 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15767 |
77.0 |
-1.9 |
0.124 |
5 |
0 |
0 |
0.035 |
34 |
35 |
|
[CCC]B:105 |
7 |
1 |
492 |
◊ |
A |
-x-1/2,y-1/2,-z-1/2 |
8_444 |
8 |
2 |
15767 |
70.8 |
-0.9 |
0.495 |
0 |
0 |
0 |
0.007 |
35 |
36 |
|
[NCO]B:209 |
4 |
1 |
269 |
f |
[GTP]B:3 |
x,y,z |
1_555 |
9 |
1 |
600 |
68.5 |
-1.6 |
0.143 |
5 |
0 |
0 |
0.033 |
36 |
37 |
|
[NCO]A:209 |
3 |
1 |
269 |
f |
[GTP]A:3 |
x,y,z |
1_555 |
9 |
1 |
580 |
62.8 |
0.7 |
0.289 |
2 |
0 |
0 |
0.002 |
37 |
38 |
|
[NCO]A:208 |
5 |
1 |
268 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
15767 |
55.5 |
-0.4 |
0.278 |
4 |
0 |
0 |
0.018 |
38 |
39 |
|
[CCC]A:105 |
5 |
1 |
482 |
f |
[GTP]A:3 |
x,y,z |
1_555 |
4 |
1 |
580 |
54.8 |
0.9 |
0.544 |
3 |
0 |
0 |
0.008 |
40 |
|
[CCC]B:105 |
4 |
1 |
492 |
f |
[GTP]B:3 |
x,y,z |
1_555 |
5 |
1 |
600 |
54.1 |
0.9 |
0.543 |
3 |
0 |
0 |
0.008 |
Average: |
54.4 |
0.9 |
0.544 |
3 |
0 |
0 |
0.008 |
39 |
41 |
|
[NCO]B:207 |
4 |
1 |
268 |
f |
[GTP]B:3 |
x,y,z |
1_555 |
6 |
1 |
600 |
50.8 |
0.0 |
0.189 |
1 |
0 |
0 |
0.004 |
40 |
42 |
|
[MG]B:212 |
1 |
1 |
98 |
f |
[GTP]B:3 |
x,y,z |
1_555 |
3 |
1 |
600 |
39.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.048 |
41 |
43 |
|
[MG]B:212 |
1 |
1 |
98 |
f |
[NCO]B:209 |
x,y,z |
1_555 |
3 |
1 |
269 |
33.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.034 |
42 |
44 |
|
[NCO]B:211 |
3 |
1 |
267 |
f |
[NCO]B:205 |
x,y,z |
1_555 |
3 |
1 |
268 |
32.4 |
0.4 |
0.354 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
[NCO]B:207 |
3 |
1 |
268 |
f |
[CCC]B:105 |
x,y,z |
1_555 |
1 |
1 |
492 |
23.8 |
0.2 |
0.209 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
[NCO]B:209 |
3 |
1 |
269 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15676 |
22.9 |
0.0 |
0.298 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
[NCO]A:209 |
1 |
1 |
269 |
f |
[CCC]A:105 |
x,y,z |
1_555 |
1 |
1 |
482 |
20.6 |
0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
46 |
48 |
|
[NCO]B:207 |
3 |
1 |
268 |
◊ |
[GTP]B:3 |
x,-y-1,-z-1 |
3_544 |
7 |
1 |
600 |
19.8 |
-0.1 |
0.267 |
0 |
0 |
0 |
0.000 |
47 |
49 |
|
[NCO]B:209 |
2 |
1 |
269 |
f |
[NCO]B:207 |
x,y,z |
1_555 |
1 |
1 |
268 |
19.3 |
0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
48 |
50 |
|
[GTP]B:3 |
2 |
1 |
600 |
◊ |
B |
x,-y-1,-z-1 |
3_544 |
4 |
1 |
15676 |
18.3 |
-0.9 |
0.424 |
0 |
0 |
0 |
0.000 |
49 |
51 |
|
[CCC]A:105 |
3 |
1 |
482 |
◊ |
A |
-x,y,-z+1/2 |
4_555 |
3 |
1 |
15767 |
14.5 |
0.6 |
0.569 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
B |
1 |
1 |
15676 |
◊ |
[CCC]A:105 |
x-1/2,-y-1/2,-z |
7_445 |
2 |
1 |
482 |
14.0 |
-0.8 |
0.238 |
0 |
0 |
0 |
0.007 |
51 |
53 |
|
[GTP]A:3 |
3 |
1 |
580 |
◊ |
A |
-x,y,-z+1/2 |
4_555 |
5 |
2 |
15767 |
8.8 |
-0.5 |
0.508 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
[NCO]A:209 |
1 |
1 |
269 |
◊ |
[GTP]A:3 |
-x,y,-z+1/2 |
4_555 |
2 |
1 |
580 |
7.7 |
0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
53 |
55 |
|
[NCO]B:207 |
1 |
1 |
268 |
◊ |
[NCO]B:207 |
x,-y-1,-z-1 |
3_544 |
1 |
1 |
268 |
5.5 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
[CCC]B:105 |
1 |
1 |
492 |
◊ |
B |
x,-y-1,-z-1 |
3_544 |
1 |
1 |
15676 |
0.8 |
0.0 |
0.453 |
0 |
0 |
0 |
0.000 |
|