## |
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 |
|
A |
78 |
23 |
30483 |
◊ |
B |
x-1,y,z |
1_455 |
86 |
34 |
30138 |
752.8 |
1.2 |
0.545 |
15 |
4 |
0 |
0.000 |
2 |
|
B |
35 |
16 |
30138 |
◊ |
A |
x,y,z |
1_555 |
32 |
13 |
30483 |
267.8 |
-0.2 |
0.566 |
1 |
0 |
0 |
0.000 |
Average: |
510.3 |
0.5 |
0.556 |
8 |
2 |
0 |
0.000 |
2 |
3 |
|
B |
56 |
17 |
30138 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
14 |
30483 |
514.8 |
1.4 |
0.598 |
7 |
5 |
0 |
0.000 |
3 |
4 |
|
A |
51 |
15 |
30483 |
x |
A |
-x,y-1/2,-z |
2_545 |
56 |
16 |
30483 |
511.7 |
-1.9 |
0.398 |
6 |
0 |
0 |
0.000 |
5 |
|
B |
56 |
15 |
30138 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
60 |
16 |
30138 |
505.3 |
-1.0 |
0.535 |
6 |
0 |
0 |
0.000 |
Average: |
508.5 |
-1.4 |
0.467 |
6 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
41 |
13 |
30483 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
15 |
30138 |
409.7 |
-0.3 |
0.590 |
5 |
5 |
0 |
0.000 |
5 |
7 |
|
[ADP]A:802 |
27 |
1 |
548 |
f |
A |
x,y,z |
1_555 |
56 |
22 |
30483 |
358.5 |
-3.1 |
0.697 |
15 |
0 |
0 |
0.021 |
6 |
8 |
|
[ADP]A:801 |
26 |
1 |
548 |
f |
A |
x,y,z |
1_555 |
49 |
19 |
30483 |
342.8 |
-1.3 |
0.750 |
16 |
0 |
0 |
0.019 |
9 |
|
[ADP]B:801 |
25 |
1 |
549 |
f |
B |
x,y,z |
1_555 |
37 |
15 |
30138 |
280.6 |
0.6 |
0.792 |
11 |
0 |
0 |
0.019 |
Average: |
311.7 |
-0.3 |
0.771 |
14 |
0 |
0 |
0.019 |
7 |
10 |
|
B |
36 |
12 |
30138 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
12 |
30138 |
339.3 |
0.1 |
0.614 |
0 |
2 |
0 |
0.000 |
11 |
|
A |
39 |
12 |
30483 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
39 |
11 |
30483 |
323.5 |
0.5 |
0.653 |
1 |
3 |
0 |
0.000 |
Average: |
331.4 |
0.3 |
0.633 |
1 |
3 |
0 |
0.000 |
8 |
12 |
|
[ADP]B:802 |
26 |
1 |
555 |
f |
B |
x,y,z |
1_555 |
40 |
14 |
30138 |
311.5 |
-2.1 |
0.683 |
7 |
0 |
0 |
0.023 |
9 |
13 |
|
B |
32 |
10 |
30138 |
x |
B |
x,y,z-1 |
1_554 |
38 |
18 |
30138 |
279.4 |
1.6 |
0.754 |
2 |
0 |
0 |
0.000 |
14 |
|
A |
19 |
7 |
30483 |
x |
A |
x,y,z-1 |
1_554 |
23 |
9 |
30483 |
163.9 |
0.9 |
0.717 |
2 |
0 |
0 |
0.000 |
Average: |
221.6 |
1.3 |
0.735 |
2 |
0 |
0 |
0.000 |
10 |
15 |
|
[3S5]A:804 |
10 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
31 |
15 |
30483 |
181.6 |
1.4 |
0.589 |
9 |
0 |
0 |
0.008 |
16 |
|
[3S5]B:804 |
9 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
30138 |
162.4 |
1.7 |
0.578 |
8 |
0 |
0 |
0.008 |
Average: |
172.0 |
1.5 |
0.584 |
9 |
0 |
0 |
0.008 |
11 |
17 |
|
[3S5]B:803 |
10 |
1 |
311 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
30138 |
171.4 |
1.7 |
0.534 |
5 |
0 |
0 |
0.002 |
12 |
18 |
|
[3S5]A:803 |
9 |
1 |
305 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
30483 |
161.1 |
1.9 |
0.635 |
7 |
0 |
0 |
0.003 |
13 |
19 |
|
[NO3]A:807 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
30483 |
70.0 |
1.4 |
0.504 |
5 |
0 |
0 |
0.002 |
14 |
20 |
|
[NO3]A:808 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
30483 |
68.3 |
1.2 |
0.635 |
5 |
0 |
0 |
0.002 |
15 |
21 |
|
[MG]A:805 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
30483 |
40.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.008 |
16 |
22 |
|
[MG]A:806 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
30483 |
34.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.014 |
23 |
|
[MG]B:805 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
30138 |
33.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
34.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.014 |
17 |
24 |
|
[NO3]A:807 |
4 |
1 |
161 |
f |
[3S5]A:803 |
x,y,z |
1_555 |
4 |
1 |
305 |
34.4 |
0.6 |
0.598 |
1 |
0 |
0 |
0.000 |
18 |
25 |
|
[MG]B:805 |
1 |
1 |
98 |
f |
[ADP]B:801 |
x,y,z |
1_555 |
3 |
1 |
549 |
34.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.025 |
26 |
|
[MG]A:806 |
1 |
1 |
98 |
f |
[ADP]A:801 |
x,y,z |
1_555 |
5 |
1 |
548 |
33.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.025 |
27 |
|
[MG]A:805 |
1 |
1 |
98 |
f |
[ADP]A:802 |
x,y,z |
1_555 |
3 |
1 |
548 |
28.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
32.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.025 |
19 |
28 |
|
[NO3]A:808 |
4 |
1 |
161 |
f |
[ADP]A:802 |
x,y,z |
1_555 |
6 |
1 |
548 |
34.1 |
-1.2 |
0.641 |
0 |
0 |
0 |
0.003 |
20 |
29 |
|
[NO3]A:808 |
4 |
1 |
161 |
f |
[3S5]A:804 |
x,y,z |
1_555 |
5 |
1 |
307 |
33.0 |
0.6 |
0.582 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[NO3]A:807 |
4 |
1 |
161 |
f |
[ADP]A:801 |
x,y,z |
1_555 |
4 |
1 |
548 |
30.0 |
-1.6 |
0.536 |
0 |
0 |
0 |
0.003 |
22 |
31 |
|
A |
3 |
1 |
30483 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
30138 |
29.3 |
-0.4 |
0.280 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
B |
3 |
1 |
30138 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
30483 |
27.5 |
0.5 |
0.759 |
1 |
1 |
0 |
0.000 |
24 |
33 |
|
[NO3]A:807 |
3 |
1 |
161 |
f |
[MG]A:806 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.005 |
25 |
34 |
|
[MG]B:805 |
1 |
1 |
98 |
f |
[3S5]B:803 |
x,y,z |
1_555 |
3 |
1 |
311 |
16.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.007 |
26 |
35 |
|
[NO3]A:808 |
2 |
1 |
161 |
f |
[MG]A:805 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.003 |
27 |
36 |
|
[3S5]B:803 |
1 |
1 |
311 |
f |
[ADP]B:801 |
x,y,z |
1_555 |
1 |
1 |
549 |
8.9 |
-0.4 |
0.322 |
0 |
0 |
0 |
0.002 |
28 |
37 |
|
[MG]A:805 |
1 |
1 |
98 |
f |
[3S5]A:804 |
x,y,z |
1_555 |
1 |
1 |
307 |
8.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.001 |
29 |
38 |
|
[3S5]A:804 |
1 |
1 |
307 |
f |
[ADP]A:802 |
x,y,z |
1_555 |
2 |
1 |
548 |
7.7 |
-0.3 |
0.414 |
0 |
0 |
0 |
0.000 |
|