## |
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 |
155 |
46 |
10535 |
◊ |
A |
x,y,z |
1_555 |
150 |
47 |
10814 |
1494.6 |
-18.7 |
0.036 |
17 |
2 |
0 |
0.409 |
2 |
|
D |
142 |
43 |
10756 |
◊ |
C |
x,y,z |
1_555 |
149 |
46 |
10503 |
1443.1 |
-21.5 |
0.015 |
16 |
3 |
0 |
0.409 |
Average: |
1468.9 |
-20.1 |
0.025 |
17 |
3 |
0 |
0.409 |
2 |
3 |
|
D |
65 |
16 |
10756 |
◊ |
A |
x,y,z |
1_555 |
62 |
15 |
10814 |
596.9 |
-0.2 |
0.683 |
10 |
4 |
0 |
0.000 |
3 |
4 |
|
D |
49 |
16 |
10756 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
48 |
15 |
10503 |
436.3 |
-1.9 |
0.499 |
6 |
1 |
0 |
0.000 |
5 |
|
B |
45 |
15 |
10535 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
41 |
14 |
10814 |
405.1 |
-2.6 |
0.370 |
5 |
2 |
0 |
0.000 |
Average: |
420.7 |
-2.2 |
0.434 |
6 |
2 |
0 |
0.000 |
4 |
6 |
|
[TPP]D:902 |
19 |
1 |
626 |
f |
D |
x,y,z |
1_555 |
41 |
15 |
10756 |
252.0 |
-5.2 |
0.526 |
5 |
0 |
0 |
0.104 |
7 |
|
[TPP]A:902 |
19 |
1 |
631 |
f |
A |
x,y,z |
1_555 |
40 |
16 |
10814 |
244.5 |
-6.0 |
0.488 |
5 |
0 |
0 |
0.104 |
Average: |
248.2 |
-5.6 |
0.507 |
5 |
0 |
0 |
0.104 |
5 |
8 |
|
C |
31 |
8 |
10503 |
◊ |
B |
x-1,y,z-1 |
1_454 |
33 |
8 |
10535 |
228.4 |
-0.1 |
0.657 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
24 |
3 |
10814 |
x |
A |
x-1,y,z |
1_455 |
22 |
7 |
10814 |
217.3 |
-0.4 |
0.589 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
[TPP]D:902 |
17 |
1 |
626 |
◊ |
C |
x,y,z |
1_555 |
30 |
9 |
10503 |
205.8 |
0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
11 |
|
[TPP]A:902 |
17 |
1 |
631 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
10535 |
204.8 |
-0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
Average: |
205.3 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.001 |
8 |
12 |
|
D |
21 |
3 |
10756 |
◊ |
A |
x-1,y,z |
1_455 |
24 |
8 |
10814 |
181.9 |
0.6 |
0.717 |
0 |
1 |
0 |
0.000 |
9 |
13 |
|
B |
14 |
5 |
10535 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
12 |
4 |
10503 |
133.9 |
0.2 |
0.667 |
3 |
0 |
0 |
0.000 |
14 |
|
B |
15 |
5 |
10535 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
14 |
5 |
10503 |
129.6 |
0.5 |
0.721 |
2 |
0 |
0 |
0.000 |
Average: |
131.8 |
0.3 |
0.694 |
3 |
0 |
0 |
0.000 |
10 |
15 |
|
[PO4]B:223 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
10535 |
96.6 |
-6.7 |
0.611 |
2 |
0 |
0 |
0.075 |
11 |
16 |
|
[PO4]C:223 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
10503 |
90.1 |
-6.2 |
0.610 |
3 |
0 |
0 |
0.107 |
12 |
17 |
|
D |
11 |
4 |
10756 |
◊ |
B |
x-1,y,z-1 |
1_454 |
8 |
3 |
10535 |
65.6 |
0.4 |
0.703 |
0 |
0 |
0 |
0.000 |
18 |
|
C |
1 |
1 |
10503 |
◊ |
A |
x-1,y,z-1 |
1_454 |
1 |
1 |
10814 |
4.5 |
0.0 |
0.536 |
0 |
0 |
0 |
0.000 |
Average: |
35.0 |
0.2 |
0.619 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[MG]D:224 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
10756 |
53.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.113 |
14 |
20 |
|
[MG]A:225 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
10814 |
53.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.074 |
15 |
21 |
|
[MG]A:223 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
10814 |
47.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.181 |
22 |
|
[MG]B:224 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
10535 |
46.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.181 |
23 |
|
[MG]D:223 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
10756 |
45.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.181 |
24 |
|
[MG]C:224 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
10503 |
44.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.181 |
Average: |
45.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.181 |
16 |
25 |
|
[MG]B:225 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
10535 |
46.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.072 |
17 |
26 |
|
[MG]B:226 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10535 |
37.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.042 |
18 |
27 |
|
[MG]A:226 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
10814 |
35.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.043 |
19 |
28 |
|
[PO4]C:223 |
3 |
1 |
189 |
◊ |
B |
x-1,y,z-1 |
1_454 |
2 |
1 |
10535 |
35.0 |
-1.1 |
0.967 |
2 |
0 |
0 |
0.000 |
20 |
29 |
|
[MG]C:225 |
1 |
1 |
98 |
f |
B |
x-1,y,z-1 |
1_454 |
11 |
5 |
10535 |
33.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.039 |
21 |
30 |
|
[MG]A:224 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
10814 |
31.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.038 |
22 |
31 |
|
[MG]D:223 |
1 |
1 |
98 |
f |
[TPP]D:902 |
x,y,z |
1_555 |
3 |
1 |
626 |
28.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.060 |
32 |
|
[MG]A:223 |
1 |
1 |
98 |
f |
[TPP]A:902 |
x,y,z |
1_555 |
3 |
1 |
631 |
27.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
27.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.060 |
23 |
33 |
|
[MG]C:225 |
1 |
1 |
98 |
f |
[MG]B:225 |
x-1,y,z-1 |
1_454 |
1 |
1 |
98 |
24.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.049 |
24 |
34 |
|
[MG]B:226 |
1 |
1 |
98 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
2 |
10814 |
24.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
A |
2 |
1 |
10814 |
◊ |
[MG]A:224 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
23.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[MG]C:225 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
10503 |
20.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
1 |
1 |
10503 |
◊ |
[MG]B:225 |
x-1,y,z-1 |
1_454 |
1 |
1 |
98 |
3.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
11.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[PO4]B:223 |
2 |
1 |
190 |
f |
[MG]B:224 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.021 |
28 |
39 |
|
[PO4]C:223 |
2 |
1 |
189 |
f |
[MG]C:224 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.027 |
29 |
40 |
|
[MG]A:225 |
1 |
1 |
98 |
f |
[MG]A:224 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.026 |
30 |
41 |
|
D |
3 |
1 |
10756 |
◊ |
[MG]A:225 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
10.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
D |
1 |
1 |
10756 |
◊ |
[MG]A:224 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
7.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
8.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|