## |
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 |
131 |
33 |
11905 |
◊ |
A |
x,y,z |
1_555 |
176 |
49 |
17112 |
1474.0 |
-16.9 |
0.158 |
15 |
6 |
0 |
0.599 |
2 |
2 |
|
D |
138 |
38 |
16832 |
◊ |
C |
x,y,z |
1_555 |
144 |
35 |
17535 |
1308.3 |
-13.2 |
0.132 |
9 |
7 |
0 |
0.326 |
3 |
|
B |
143 |
37 |
16828 |
◊ |
A |
x,y,z |
1_555 |
145 |
35 |
17112 |
1294.0 |
-16.4 |
0.045 |
6 |
5 |
0 |
0.326 |
Average: |
1301.2 |
-14.8 |
0.089 |
8 |
6 |
0 |
0.326 |
3 |
4 |
|
B |
93 |
26 |
16828 |
◊ |
C |
x,y,z |
1_555 |
109 |
30 |
17535 |
869.2 |
-10.2 |
0.134 |
6 |
1 |
0 |
0.074 |
4 |
5 |
|
E |
80 |
16 |
11905 |
◊ |
C |
x,y,z |
1_555 |
87 |
25 |
17535 |
816.3 |
-10.3 |
0.185 |
5 |
3 |
0 |
0.174 |
5 |
6 |
|
F |
79 |
20 |
13348 |
◊ |
A |
x,y,z |
1_555 |
89 |
22 |
17112 |
755.8 |
-0.4 |
0.687 |
5 |
5 |
0 |
0.000 |
6 |
7 |
|
D |
88 |
23 |
16832 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
83 |
25 |
13348 |
718.4 |
1.4 |
0.755 |
3 |
2 |
0 |
0.000 |
7 |
8 |
|
E |
58 |
14 |
11905 |
◊ |
D |
x,y,z |
1_555 |
83 |
23 |
16832 |
652.2 |
-4.3 |
0.482 |
2 |
4 |
0 |
0.078 |
8 |
9 |
|
E |
66 |
15 |
11905 |
◊ |
B |
x,y,z |
1_555 |
80 |
21 |
16828 |
630.8 |
-2.8 |
0.596 |
2 |
7 |
0 |
0.054 |
9 |
10 |
|
C |
64 |
20 |
17535 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
51 |
12 |
11905 |
524.4 |
-3.0 |
0.551 |
0 |
4 |
0 |
0.000 |
10 |
11 |
|
F |
47 |
13 |
13348 |
◊ |
B |
x,y,z |
1_555 |
45 |
13 |
16828 |
428.3 |
-1.0 |
0.569 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
[GTP]C:501 |
31 |
1 |
627 |
f |
C |
x,y,z |
1_555 |
64 |
30 |
17535 |
410.8 |
-2.9 |
0.559 |
9 |
0 |
0 |
0.187 |
13 |
|
[GTP]A:501 |
32 |
1 |
627 |
f |
A |
x,y,z |
1_555 |
63 |
30 |
17112 |
410.3 |
-3.2 |
0.532 |
10 |
0 |
0 |
0.187 |
Average: |
410.6 |
-3.1 |
0.546 |
10 |
0 |
0 |
0.187 |
12 |
14 |
|
[GDP]B:501 |
27 |
1 |
562 |
f |
B |
x,y,z |
1_555 |
63 |
27 |
16828 |
398.2 |
-6.7 |
0.561 |
8 |
0 |
0 |
0.165 |
15 |
|
[GDP]D:501 |
28 |
1 |
563 |
f |
D |
x,y,z |
1_555 |
66 |
29 |
16832 |
386.7 |
-6.1 |
0.546 |
7 |
0 |
0 |
0.165 |
Average: |
392.4 |
-6.4 |
0.553 |
8 |
0 |
0 |
0.165 |
13 |
16 |
|
[ACP]F:401 |
27 |
1 |
613 |
f |
F |
x,y,z |
1_555 |
43 |
16 |
13348 |
352.3 |
-0.9 |
0.537 |
4 |
0 |
0 |
0.100 |
14 |
17 |
|
C |
36 |
12 |
17535 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
33 |
12 |
17112 |
313.1 |
-1.5 |
0.465 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
C |
45 |
11 |
17535 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
10 |
17112 |
305.0 |
1.1 |
0.786 |
1 |
3 |
0 |
0.000 |
16 |
19 |
|
C |
29 |
12 |
17535 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
26 |
5 |
11905 |
245.8 |
-0.7 |
0.619 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
C |
28 |
6 |
17535 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
31 |
10 |
16828 |
206.5 |
0.1 |
0.649 |
1 |
1 |
0 |
0.000 |
18 |
21 |
|
[MES]B:505 |
12 |
1 |
336 |
◊ |
B |
x,y,z |
1_555 |
28 |
12 |
16828 |
197.5 |
7.1 |
0.410 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
D |
17 |
5 |
16832 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
14 |
7 |
11905 |
135.3 |
1.2 |
0.784 |
0 |
2 |
0 |
0.000 |
20 |
23 |
|
B |
18 |
4 |
16828 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
20 |
7 |
16832 |
128.0 |
-1.5 |
0.348 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
B |
14 |
6 |
16828 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
13 |
6 |
11905 |
110.8 |
-0.8 |
0.541 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[BEF]D:503 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
22 |
11 |
16832 |
88.5 |
2.0 |
0.609 |
2 |
0 |
0 |
0.000 |
23 |
26 |
|
[GTP]C:501 |
7 |
1 |
627 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
16832 |
49.7 |
1.4 |
0.797 |
1 |
0 |
0 |
0.000 |
27 |
|
[GTP]A:501 |
5 |
1 |
627 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
16828 |
32.6 |
0.5 |
0.699 |
0 |
0 |
0 |
0.000 |
Average: |
41.2 |
1.0 |
0.748 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
16828 |
48.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.082 |
29 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
16832 |
40.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
44.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.082 |
25 |
30 |
|
[BEF]D:503 |
4 |
1 |
181 |
f |
[GDP]D:501 |
x,y,z |
1_555 |
6 |
1 |
563 |
45.1 |
-2.2 |
0.291 |
1 |
0 |
0 |
0.048 |
26 |
31 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
17535 |
43.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.123 |
32 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17112 |
42.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
43.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.123 |
27 |
33 |
|
[MES]B:505 |
5 |
1 |
336 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17112 |
35.8 |
0.6 |
0.067 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
16828 |
35.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
29 |
35 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[GTP]C:501 |
x,y,z |
1_555 |
6 |
1 |
627 |
32.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.107 |
36 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
4 |
1 |
627 |
32.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
32.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.107 |
30 |
37 |
|
[CA]B:503 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
16828 |
32.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.086 |
31 |
38 |
|
[GDP]B:501 |
7 |
1 |
562 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.069 |
32 |
39 |
|
C |
6 |
3 |
17535 |
◊ |
[CA]B:503 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
27.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
C |
4 |
2 |
17535 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
17535 |
26.4 |
0.6 |
0.771 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[GDP]D:501 |
4 |
1 |
563 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.072 |
35 |
42 |
|
C |
7 |
2 |
17535 |
◊ |
[MG]B:504 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
98 |
25.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[BEF]D:503 |
3 |
1 |
181 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.043 |
37 |
44 |
|
D |
3 |
2 |
16832 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
17112 |
18.7 |
-0.1 |
0.499 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
B |
2 |
1 |
16828 |
◊ |
E |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
11905 |
16.7 |
-0.5 |
0.283 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
16828 |
12.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
47 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16832 |
10.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
11.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
40 |
48 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17535 |
9.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
41 |
49 |
|
[MES]B:505 |
2 |
1 |
336 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
11905 |
4.7 |
0.1 |
0.157 |
0 |
0 |
0 |
0.000 |
|