## |
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 |
82 |
22 |
12365 |
◊ |
A |
x,y,z |
1_555 |
82 |
21 |
12304 |
654.7 |
-0.7 |
0.539 |
2 |
0 |
0 |
0.000 |
2 |
2 |
|
C |
81 |
24 |
12289 |
◊ |
B |
x,y,z |
1_555 |
73 |
22 |
12365 |
633.2 |
3.5 |
0.799 |
5 |
3 |
0 |
0.000 |
3 |
3 |
|
C |
61 |
23 |
12289 |
x |
C |
-y+2,x-y+3,z-1/3 |
2_784 |
62 |
12 |
12289 |
594.3 |
-6.1 |
0.174 |
3 |
0 |
0 |
0.000 |
4 |
|
B |
65 |
23 |
12365 |
x |
B |
-y+2,x-y+2,z-1/3 |
2_774 |
59 |
12 |
12365 |
586.5 |
-6.6 |
0.134 |
6 |
1 |
0 |
0.000 |
5 |
|
A |
58 |
12 |
12304 |
x |
A |
-y+1,x-y+2,z-1/3 |
2_674 |
61 |
22 |
12304 |
550.2 |
-6.0 |
0.136 |
3 |
1 |
0 |
0.000 |
Average: |
577.0 |
-6.2 |
0.148 |
4 |
1 |
0 |
0.000 |
4 |
6 |
|
A |
49 |
17 |
12304 |
◊ |
C |
-y+2,x-y+2,z-1/3 |
2_774 |
49 |
16 |
12289 |
460.2 |
-4.1 |
0.230 |
6 |
0 |
0 |
0.000 |
5 |
7 |
|
[ADP]B:303 |
24 |
1 |
555 |
f |
B |
x,y,z |
1_555 |
40 |
15 |
12365 |
308.3 |
-5.0 |
0.591 |
13 |
0 |
0 |
0.031 |
8 |
|
[ADP]A:303 |
25 |
1 |
552 |
f |
A |
x,y,z |
1_555 |
40 |
14 |
12304 |
306.5 |
-4.6 |
0.597 |
14 |
0 |
0 |
0.031 |
9 |
|
[ADP]C:303 |
24 |
1 |
551 |
f |
C |
x,y,z |
1_555 |
43 |
15 |
12289 |
301.6 |
-4.3 |
0.627 |
13 |
0 |
0 |
0.031 |
Average: |
305.5 |
-4.6 |
0.605 |
13 |
0 |
0 |
0.031 |
6 |
10 |
|
B |
36 |
12 |
12365 |
◊ |
C |
x,y-1,z |
1_545 |
31 |
9 |
12289 |
288.4 |
-1.5 |
0.369 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
C |
24 |
7 |
12289 |
◊ |
A |
x,y,z |
1_555 |
31 |
7 |
12304 |
258.5 |
2.8 |
0.696 |
1 |
1 |
0 |
0.000 |
8 |
12 |
|
C |
16 |
4 |
12289 |
◊ |
A |
-y+2,x-y+3,z-1/3 |
2_784 |
16 |
7 |
12304 |
127.9 |
-0.4 |
0.449 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
A |
16 |
7 |
12304 |
◊ |
B |
-y+1,x-y+2,z-1/3 |
2_674 |
16 |
6 |
12365 |
126.6 |
1.0 |
0.520 |
0 |
1 |
0 |
0.000 |
10 |
14 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
12304 |
105.3 |
-16.2 |
0.687 |
5 |
0 |
0 |
0.044 |
11 |
15 |
|
[BEF]C:302 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
12289 |
94.5 |
2.5 |
0.657 |
3 |
0 |
0 |
0.000 |
12 |
16 |
|
[BEF]B:302 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
12365 |
94.1 |
2.3 |
0.644 |
4 |
0 |
0 |
0.000 |
13 |
17 |
|
[BEF]A:302 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
12304 |
92.7 |
2.5 |
0.659 |
5 |
0 |
0 |
0.000 |
14 |
18 |
|
[SO4]C:304 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
12289 |
87.5 |
-13.5 |
0.693 |
4 |
0 |
0 |
0.041 |
15 |
19 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
12365 |
78.4 |
-10.0 |
0.838 |
2 |
0 |
0 |
0.032 |
16 |
20 |
|
A |
7 |
3 |
12304 |
◊ |
C |
x-1,y-1,z |
1_445 |
9 |
3 |
12289 |
67.1 |
1.1 |
0.644 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
C |
7 |
3 |
12289 |
◊ |
B |
-y+2,x-y+3,z-1/3 |
2_784 |
8 |
6 |
12365 |
56.1 |
-0.7 |
0.421 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[ADP]C:303 |
6 |
1 |
551 |
f |
[BEF]C:302 |
x,y,z |
1_555 |
4 |
1 |
185 |
48.5 |
-2.3 |
0.318 |
0 |
0 |
0 |
0.006 |
23 |
|
[ADP]A:303 |
5 |
1 |
552 |
f |
[BEF]A:302 |
x,y,z |
1_555 |
4 |
1 |
184 |
48.1 |
-2.1 |
0.304 |
1 |
0 |
0 |
0.006 |
Average: |
48.3 |
-2.2 |
0.311 |
1 |
0 |
0 |
0.006 |
19 |
24 |
|
[ADP]B:303 |
5 |
1 |
555 |
f |
[BEF]B:302 |
x,y,z |
1_555 |
4 |
1 |
186 |
48.3 |
-2.2 |
0.304 |
1 |
0 |
0 |
0.008 |
20 |
25 |
|
[SO4]A:304 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
12289 |
40.7 |
-4.3 |
0.891 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12304 |
34.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.012 |
27 |
|
[MG]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12365 |
34.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.012 |
28 |
|
[MG]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
12289 |
33.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
34.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.012 |
22 |
29 |
|
[ADP]B:303 |
5 |
1 |
555 |
f |
[MG]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.013 |
30 |
|
[ADP]C:303 |
4 |
1 |
551 |
f |
[MG]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.013 |
31 |
|
[ADP]A:303 |
4 |
1 |
552 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
28.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.013 |
23 |
32 |
|
[ADP]C:303 |
4 |
1 |
551 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12365 |
27.8 |
0.3 |
0.739 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[BEF]A:302 |
2 |
1 |
184 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.005 |
34 |
|
[BEF]C:302 |
2 |
1 |
185 |
f |
[MG]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
26.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.005 |
25 |
35 |
|
[BEF]B:302 |
2 |
1 |
186 |
f |
[MG]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.006 |
26 |
36 |
|
[SO4]C:304 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12365 |
22.5 |
-2.6 |
0.791 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
A |
2 |
1 |
12304 |
◊ |
B |
-y+2,x-y+2,z-1/3 |
2_774 |
3 |
1 |
12365 |
7.7 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[BEF]C:302 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12365 |
1.4 |
0.0 |
0.417 |
0 |
0 |
0 |
0.000 |
|