## |
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 |
|
B |
90 |
24 |
8448 |
◊ |
A |
x,y,z |
1_555 |
99 |
31 |
12028 |
950.0 |
-12.5 |
0.082 |
7 |
1 |
0 |
0.076 |
2 |
2 |
|
A |
84 |
21 |
12028 |
◊ |
A |
-x,y,-z |
2_555 |
84 |
21 |
12028 |
867.0 |
-13.8 |
0.051 |
7 |
0 |
0 |
0.084 |
3 |
3 |
|
[GTP]B:201 |
29 |
1 |
639 |
f |
B |
x,y,z |
1_555 |
53 |
21 |
8448 |
379.7 |
-2.9 |
0.525 |
22 |
0 |
0 |
0.062 |
4 |
4 |
|
B |
38 |
12 |
8448 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
32 |
9 |
12028 |
368.0 |
-0.2 |
0.612 |
6 |
8 |
0 |
0.000 |
5 |
5 |
|
B |
38 |
9 |
8448 |
◊ |
A |
x,y-1,z |
1_545 |
36 |
12 |
12028 |
284.2 |
1.4 |
0.636 |
2 |
2 |
0 |
0.000 |
6 |
6 |
|
A |
21 |
9 |
12028 |
◊ |
B |
x-1/2,y+1/2,z-1/2 |
3_454 |
27 |
10 |
8448 |
209.8 |
-0.4 |
0.575 |
3 |
0 |
0 |
0.000 |
7 |
7 |
|
[GOL]B:214 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
8448 |
118.5 |
-0.9 |
0.470 |
2 |
0 |
0 |
0.009 |
8 |
8 |
|
[GOL]A:307 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
12028 |
88.1 |
0.5 |
0.666 |
3 |
0 |
0 |
0.008 |
9 |
9 |
|
[CL]B:215 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
8448 |
70.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.054 |
10 |
10 |
|
[ACT]B:216 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8448 |
68.9 |
-1.6 |
0.421 |
0 |
0 |
0 |
0.008 |
11 |
11 |
|
[NA]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
12028 |
64.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.080 |
12 |
12 |
|
[NA]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12028 |
64.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.090 |
13 |
13 |
|
[CL]A:312 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
12028 |
62.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.125 |
14 |
14 |
|
A |
5 |
3 |
12028 |
x |
A |
-x+1/2,y-1/2,-z-1/2 |
4_544 |
7 |
3 |
12028 |
59.8 |
0.4 |
0.715 |
0 |
1 |
0 |
0.000 |
15 |
15 |
|
[NA]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12028 |
59.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.085 |
16 |
16 |
|
[CL]A:311 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
12028 |
55.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.063 |
17 |
17 |
|
[NA]B:212 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8448 |
55.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.034 |
18 |
18 |
|
[MG]B:203 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
8448 |
53.8 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.040 |
19 |
19 |
|
[NA]B:213 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
8448 |
53.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.033 |
20 |
20 |
|
[CL]A:308 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12028 |
51.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.068 |
21 |
21 |
|
[NA]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
12028 |
51.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.063 |
22 |
22 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12028 |
50.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.060 |
23 |
23 |
|
[MG]B:204 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
8448 |
49.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.048 |
24 |
24 |
|
[CL]A:308 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z |
2_555 |
8 |
4 |
12028 |
48.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.055 |
25 |
25 |
|
[NA]B:208 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8448 |
45.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.025 |
26 |
26 |
|
[NA]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12028 |
42.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.054 |
27 |
27 |
|
A |
7 |
4 |
12028 |
◊ |
A |
-x+1,y,-z |
2_655 |
7 |
4 |
12028 |
40.3 |
0.2 |
0.678 |
0 |
0 |
0 |
0.000 |
28 |
28 |
|
[NA]B:206 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
8448 |
39.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.023 |
29 |
29 |
|
[GOL]A:307 |
4 |
1 |
218 |
f |
A |
-x,y,-z |
2_555 |
4 |
2 |
12028 |
36.1 |
-0.3 |
0.502 |
0 |
0 |
0 |
0.003 |
30 |
30 |
|
[NA]B:207 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
8448 |
36.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.016 |
31 |
31 |
|
[ACT]B:216 |
3 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
12028 |
35.9 |
-0.3 |
0.629 |
0 |
0 |
0 |
0.001 |
32 |
32 |
|
[CL]A:313 |
1 |
1 |
125 |
f |
A |
-x,y,-z |
2_555 |
5 |
1 |
12028 |
33.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.038 |
33 |
33 |
|
[MG]B:202 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
8448 |
31.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.047 |
34 |
|
[MG]B:205 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
8448 |
31.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.047 |
Average: |
31.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.047 |
34 |
35 |
|
[MG]B:205 |
1 |
1 |
98 |
f |
[GTP]B:201 |
x,y,z |
1_555 |
5 |
1 |
639 |
31.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.038 |
36 |
|
[MG]B:202 |
1 |
1 |
98 |
f |
[GTP]B:201 |
x,y,z |
1_555 |
4 |
1 |
639 |
28.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
30.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.038 |
35 |
37 |
|
[NA]B:208 |
1 |
1 |
125 |
◊ |
B |
-x+1,y,-z |
2_655 |
5 |
4 |
8448 |
30.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[NA]A:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8448 |
30.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.015 |
37 |
39 |
|
[NA]B:209 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
8448 |
28.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.014 |
38 |
40 |
|
[CL]A:313 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
12028 |
27.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.033 |
39 |
41 |
|
[CL]A:313 |
1 |
1 |
125 |
◊ |
[GOL]A:307 |
-x,y,-z |
2_555 |
2 |
1 |
218 |
26.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.022 |
40 |
42 |
|
[NA]B:206 |
1 |
1 |
125 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
2 |
12028 |
25.6 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[CL]A:309 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
12028 |
22.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.023 |
42 |
44 |
|
[NA]A:306 |
1 |
1 |
125 |
f |
[NA]A:303 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.044 |
43 |
45 |
|
[NA]B:210 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
8448 |
19.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.009 |
44 |
46 |
|
B |
3 |
1 |
8448 |
◊ |
A |
-x+1,y,-z |
2_655 |
3 |
1 |
12028 |
19.4 |
0.7 |
0.810 |
0 |
1 |
0 |
0.000 |
45 |
47 |
|
B |
2 |
1 |
8448 |
◊ |
[NA]A:304 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
18.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
48 |
|
[NA]B:209 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12028 |
18.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.011 |
47 |
49 |
|
B |
3 |
2 |
8448 |
◊ |
A |
-x+1/2,y-3/2,-z+1/2 |
4_535 |
2 |
1 |
12028 |
16.0 |
0.5 |
0.762 |
0 |
0 |
0 |
0.000 |
48 |
50 |
|
[MG]B:205 |
1 |
1 |
98 |
f |
[MG]B:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.016 |
49 |
51 |
|
A |
1 |
1 |
12028 |
◊ |
[NA]B:212 |
x-1/2,y+1/2,z-1/2 |
3_454 |
1 |
1 |
125 |
14.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[NA]B:211 |
1 |
1 |
125 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
12028 |
13.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
[NA]B:211 |
1 |
1 |
125 |
f |
[NA]A:305 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
12.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.013 |
52 |
54 |
|
[NA]B:211 |
1 |
1 |
125 |
f |
[NA]B:210 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
53 |
55 |
|
B |
3 |
2 |
8448 |
◊ |
[CL]A:309 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
9.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
[NA]B:210 |
1 |
1 |
125 |
f |
[NA]A:305 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
8.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.008 |
55 |
57 |
|
[NA]B:213 |
1 |
1 |
125 |
◊ |
B |
-x+1,y,-z |
2_655 |
2 |
1 |
8448 |
7.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
58 |
|
[MG]B:203 |
1 |
1 |
98 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
2 |
1 |
12028 |
6.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
59 |
|
[GOL]A:307 |
2 |
1 |
218 |
◊ |
[GOL]A:307 |
-x,y,-z |
2_555 |
2 |
1 |
218 |
5.3 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
58 |
60 |
|
[NA]B:208 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12028 |
4.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
59 |
61 |
|
[NA]A:305 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12028 |
2.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
B |
1 |
1 |
8448 |
◊ |
B |
-x+1,y,-z |
2_655 |
1 |
1 |
8448 |
1.6 |
0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
[NA]A:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8448 |
1.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|