## |
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 |
|
E |
142 |
34 |
12446 |
◊ |
A |
x,y,z |
1_555 |
178 |
48 |
17811 |
1543.2 |
-17.1 |
0.191 |
14 |
5 |
0 |
0.509 |
2 |
2 |
|
D |
166 |
46 |
17963 |
◊ |
C |
x,y,z |
1_555 |
156 |
38 |
17927 |
1527.7 |
-12.2 |
0.191 |
5 |
7 |
0 |
0.217 |
3 |
|
B |
149 |
38 |
17807 |
◊ |
A |
x,y,z |
1_555 |
143 |
32 |
17811 |
1329.0 |
-11.5 |
0.172 |
7 |
4 |
0 |
0.217 |
Average: |
1428.4 |
-11.9 |
0.181 |
6 |
6 |
0 |
0.217 |
3 |
4 |
|
B |
95 |
25 |
17807 |
◊ |
C |
x,y,z |
1_555 |
110 |
29 |
17927 |
859.6 |
-9.7 |
0.153 |
7 |
1 |
0 |
0.070 |
4 |
5 |
|
E |
73 |
17 |
12446 |
◊ |
C |
x,y,z |
1_555 |
79 |
23 |
17927 |
744.9 |
-7.6 |
0.324 |
5 |
4 |
0 |
0.116 |
5 |
6 |
|
F |
74 |
20 |
16132 |
◊ |
A |
x,y,z |
1_555 |
84 |
22 |
17811 |
728.9 |
-1.3 |
0.589 |
5 |
4 |
0 |
0.000 |
6 |
7 |
|
E |
54 |
15 |
12446 |
◊ |
B |
x,y,z |
1_555 |
82 |
21 |
17807 |
648.3 |
-2.2 |
0.568 |
0 |
7 |
0 |
0.017 |
7 |
8 |
|
D |
76 |
22 |
17963 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
69 |
21 |
16132 |
638.3 |
1.4 |
0.733 |
3 |
0 |
0 |
0.000 |
8 |
9 |
|
E |
55 |
16 |
12446 |
◊ |
D |
x,y,z |
1_555 |
80 |
23 |
17963 |
619.6 |
-6.6 |
0.294 |
1 |
5 |
0 |
0.087 |
9 |
10 |
|
C |
64 |
19 |
17927 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
44 |
13 |
12446 |
482.4 |
-3.8 |
0.450 |
0 |
2 |
0 |
0.000 |
10 |
11 |
|
[FUO]D:501 |
35 |
1 |
848 |
f |
D |
x,y,z |
1_555 |
66 |
27 |
17963 |
481.5 |
-7.4 |
0.153 |
0 |
0 |
0 |
0.104 |
12 |
|
[FUO]B:501 |
30 |
1 |
839 |
f |
B |
x,y,z |
1_555 |
56 |
26 |
17807 |
445.2 |
-8.5 |
0.097 |
0 |
0 |
0 |
0.104 |
Average: |
463.4 |
-8.0 |
0.125 |
0 |
0 |
0 |
0.104 |
11 |
13 |
|
[GTP]C:501 |
32 |
1 |
617 |
f |
C |
x,y,z |
1_555 |
66 |
30 |
17927 |
416.1 |
-2.0 |
0.602 |
10 |
0 |
0 |
0.090 |
12 |
14 |
|
[GTP]A:501 |
32 |
1 |
614 |
f |
A |
x,y,z |
1_555 |
64 |
30 |
17811 |
411.0 |
-2.2 |
0.549 |
8 |
0 |
0 |
0.122 |
13 |
15 |
|
[GDP]B:506 |
27 |
1 |
560 |
f |
B |
x,y,z |
1_555 |
57 |
25 |
17807 |
397.4 |
-6.3 |
0.546 |
5 |
0 |
0 |
0.122 |
16 |
|
[GDP]D:504 |
27 |
1 |
552 |
f |
D |
x,y,z |
1_555 |
60 |
27 |
17963 |
392.2 |
-6.0 |
0.546 |
6 |
0 |
0 |
0.122 |
Average: |
394.8 |
-6.2 |
0.546 |
6 |
0 |
0 |
0.122 |
14 |
17 |
|
C |
48 |
11 |
17927 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
45 |
12 |
17811 |
384.8 |
0.4 |
0.720 |
0 |
4 |
0 |
0.000 |
15 |
18 |
|
F |
44 |
13 |
16132 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
17807 |
356.0 |
1.0 |
0.730 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
C |
37 |
13 |
17927 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
36 |
11 |
17811 |
341.5 |
-0.9 |
0.504 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
C |
27 |
11 |
17927 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
26 |
5 |
12446 |
248.1 |
-1.6 |
0.524 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[FUO]B:501 |
18 |
1 |
839 |
◊ |
A |
x,y,z |
1_555 |
29 |
11 |
17811 |
223.6 |
3.9 |
0.850 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
B |
22 |
4 |
17807 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
26 |
7 |
17963 |
221.2 |
-0.1 |
0.569 |
2 |
2 |
0 |
0.000 |
20 |
23 |
|
[FUO]D:501 |
15 |
1 |
848 |
◊ |
C |
x,y,z |
1_555 |
30 |
10 |
17927 |
210.8 |
3.3 |
0.806 |
2 |
0 |
0 |
0.000 |
21 |
24 |
|
[MES]B:503 |
12 |
1 |
338 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
17807 |
204.0 |
6.7 |
0.372 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
C |
23 |
5 |
17927 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
26 |
7 |
17807 |
200.8 |
0.3 |
0.660 |
1 |
1 |
0 |
0.000 |
23 |
26 |
|
D |
20 |
5 |
17963 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
21 |
6 |
17811 |
155.4 |
-0.3 |
0.567 |
0 |
1 |
0 |
0.000 |
24 |
27 |
|
B |
11 |
3 |
17807 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
12 |
5 |
12446 |
136.2 |
0.9 |
0.742 |
0 |
2 |
0 |
0.000 |
25 |
28 |
|
D |
15 |
5 |
17963 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
18 |
7 |
12446 |
115.7 |
0.5 |
0.723 |
0 |
3 |
0 |
0.000 |
26 |
29 |
|
C |
7 |
4 |
17927 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
17 |
7 |
17927 |
89.6 |
1.3 |
0.833 |
1 |
0 |
0 |
0.000 |
27 |
30 |
|
[MG]F:401 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
16132 |
53.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.100 |
28 |
31 |
|
[CA]A:504 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
17811 |
48.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.167 |
29 |
32 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
17807 |
47.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.026 |
30 |
33 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
17963 |
44.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.088 |
31 |
34 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
17927 |
40.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.093 |
35 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17811 |
39.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
39.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.093 |
32 |
36 |
|
[GTP]C:501 |
7 |
1 |
617 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17963 |
37.0 |
0.5 |
0.732 |
1 |
0 |
0 |
0.000 |
33 |
37 |
|
[MES]B:503 |
4 |
1 |
338 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
17811 |
32.6 |
0.3 |
0.099 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[CA]D:503 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
17963 |
31.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.074 |
35 |
39 |
|
[GDP]D:504 |
4 |
1 |
552 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.067 |
36 |
40 |
|
[GTP]A:501 |
4 |
1 |
614 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17807 |
31.0 |
0.8 |
0.749 |
1 |
0 |
0 |
0.000 |
37 |
41 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
7 |
1 |
614 |
30.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.077 |
42 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
4 |
1 |
617 |
29.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
30.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.077 |
38 |
43 |
|
[GDP]B:506 |
5 |
1 |
560 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.022 |
39 |
44 |
|
[CA]B:505 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
17807 |
28.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
C |
8 |
4 |
17927 |
f |
[CA]B:505 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
28.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.071 |
41 |
46 |
|
B |
3 |
2 |
17807 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
2 |
12446 |
25.8 |
-0.4 |
0.344 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
C |
5 |
2 |
17927 |
f |
[CA]B:504 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
24.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.056 |
43 |
48 |
|
A |
2 |
1 |
17811 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
16132 |
22.6 |
-0.3 |
0.321 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[CA]B:504 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
17807 |
21.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17807 |
21.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.023 |
51 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17963 |
19.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
Average: |
20.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.023 |
46 |
52 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17927 |
12.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
47 |
53 |
|
[CA]A:504 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12446 |
12.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.037 |
48 |
54 |
|
B |
2 |
1 |
17807 |
◊ |
F |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
16132 |
7.1 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
|