## |
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 |
|
D |
383 |
107 |
20743 |
◊ |
C |
x,y,z |
1_555 |
381 |
105 |
20373 |
3537.0 |
-33.4 |
0.096 |
46 |
9 |
0 |
0.297 |
2 |
|
B |
374 |
107 |
20782 |
◊ |
A |
x,y,z |
1_555 |
378 |
106 |
20688 |
3533.7 |
-34.1 |
0.050 |
43 |
8 |
0 |
0.297 |
Average: |
3535.3 |
-33.7 |
0.073 |
45 |
9 |
0 |
0.297 |
2 |
3 |
|
D |
99 |
34 |
20743 |
◊ |
B |
x,y,z |
1_555 |
106 |
36 |
20782 |
1032.6 |
-7.0 |
0.382 |
14 |
23 |
0 |
0.127 |
4 |
|
C |
94 |
33 |
20373 |
◊ |
A |
x,y,z |
1_555 |
95 |
32 |
20688 |
999.4 |
-7.0 |
0.354 |
15 |
23 |
0 |
0.127 |
Average: |
1016.0 |
-7.0 |
0.368 |
15 |
23 |
0 |
0.127 |
3 |
5 |
|
B |
64 |
20 |
20782 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
50 |
17 |
20743 |
465.7 |
-0.1 |
0.714 |
4 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
54 |
17 |
20688 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
59 |
16 |
20782 |
465.4 |
-1.5 |
0.610 |
8 |
2 |
0 |
0.000 |
5 |
7 |
|
B |
59 |
17 |
20782 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
50 |
13 |
20373 |
420.4 |
-5.6 |
0.245 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
[TPP]C:600 |
25 |
1 |
572 |
f |
C |
x,y,z |
1_555 |
46 |
20 |
20373 |
290.5 |
-7.7 |
0.427 |
11 |
0 |
0 |
0.183 |
9 |
|
[TPP]B:600 |
25 |
1 |
576 |
f |
B |
x,y,z |
1_555 |
47 |
20 |
20782 |
290.2 |
-7.8 |
0.401 |
10 |
0 |
0 |
0.183 |
10 |
|
[TPP]D:600 |
25 |
1 |
574 |
f |
D |
x,y,z |
1_555 |
44 |
20 |
20743 |
289.4 |
-7.7 |
0.409 |
10 |
0 |
0 |
0.183 |
11 |
|
[TPP]A:600 |
25 |
1 |
575 |
f |
A |
x,y,z |
1_555 |
45 |
20 |
20688 |
289.3 |
-7.6 |
0.400 |
10 |
0 |
0 |
0.183 |
Average: |
289.9 |
-7.7 |
0.409 |
10 |
0 |
0 |
0.183 |
7 |
12 |
|
C |
27 |
10 |
20373 |
◊ |
B |
x,y,z |
1_555 |
29 |
10 |
20782 |
220.7 |
1.5 |
0.860 |
3 |
0 |
0 |
0.000 |
13 |
|
D |
30 |
10 |
20743 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
20688 |
216.6 |
1.0 |
0.809 |
2 |
0 |
0 |
0.000 |
Average: |
218.7 |
1.3 |
0.835 |
3 |
0 |
0 |
0.000 |
8 |
14 |
|
[TPP]B:600 |
10 |
1 |
576 |
◊ |
A |
x,y,z |
1_555 |
16 |
10 |
20688 |
129.8 |
0.4 |
0.613 |
0 |
0 |
0 |
0.000 |
15 |
|
[TPP]C:600 |
10 |
1 |
572 |
◊ |
D |
x,y,z |
1_555 |
16 |
10 |
20743 |
129.3 |
0.4 |
0.617 |
0 |
0 |
0 |
0.000 |
16 |
|
[TPP]D:600 |
10 |
1 |
574 |
◊ |
C |
x,y,z |
1_555 |
16 |
10 |
20373 |
129.3 |
0.5 |
0.666 |
0 |
0 |
0 |
0.000 |
17 |
|
[TPP]A:600 |
10 |
1 |
575 |
◊ |
B |
x,y,z |
1_555 |
15 |
10 |
20782 |
128.1 |
0.4 |
0.594 |
0 |
0 |
0 |
0.000 |
Average: |
129.1 |
0.4 |
0.622 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
[SO4]C:603 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
20373 |
113.0 |
-16.8 |
0.777 |
6 |
0 |
0 |
0.143 |
10 |
19 |
|
[SO4]D:603 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
20743 |
110.5 |
-16.1 |
0.780 |
5 |
0 |
0 |
0.138 |
11 |
20 |
|
[SO4]B:603 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
20782 |
110.2 |
-16.1 |
0.772 |
4 |
0 |
0 |
0.135 |
12 |
21 |
|
[SO4]A:603 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
20688 |
109.1 |
-16.4 |
0.765 |
5 |
0 |
0 |
0.137 |
13 |
22 |
|
D |
8 |
4 |
20743 |
x |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
9 |
20743 |
103.0 |
1.5 |
0.845 |
3 |
0 |
0 |
0.000 |
14 |
23 |
|
[SO4]C:602 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
20373 |
101.1 |
-15.1 |
0.683 |
3 |
0 |
0 |
0.240 |
24 |
|
[SO4]D:602 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
20743 |
94.9 |
-14.7 |
0.635 |
3 |
0 |
0 |
0.240 |
25 |
|
[SO4]A:602 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
20688 |
94.3 |
-14.6 |
0.615 |
2 |
0 |
0 |
0.240 |
26 |
|
[SO4]B:602 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
20782 |
93.8 |
-14.6 |
0.623 |
3 |
0 |
0 |
0.240 |
Average: |
96.0 |
-14.7 |
0.639 |
3 |
0 |
0 |
0.240 |
15 |
27 |
|
[SO4]B:602 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
20688 |
50.4 |
-6.9 |
0.556 |
1 |
0 |
0 |
0.068 |
28 |
|
[SO4]D:602 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
20373 |
46.7 |
-5.9 |
0.809 |
1 |
0 |
0 |
0.068 |
29 |
|
[SO4]C:602 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
20743 |
45.3 |
-5.7 |
0.792 |
1 |
0 |
0 |
0.068 |
Average: |
47.5 |
-6.2 |
0.719 |
1 |
0 |
0 |
0.068 |
16 |
30 |
|
[SO4]A:602 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
20782 |
46.8 |
-6.0 |
0.796 |
1 |
0 |
0 |
0.035 |
17 |
31 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
20782 |
39.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.091 |
32 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
20688 |
39.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.091 |
33 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
20373 |
39.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.091 |
34 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
9 |
20743 |
39.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
39.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.091 |
18 |
35 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[TPP]A:600 |
x,y,z |
1_555 |
5 |
1 |
575 |
30.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.073 |
36 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
[TPP]B:600 |
x,y,z |
1_555 |
4 |
1 |
576 |
30.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.073 |
37 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
[TPP]D:600 |
x,y,z |
1_555 |
3 |
1 |
574 |
30.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.073 |
38 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
[TPP]C:600 |
x,y,z |
1_555 |
4 |
1 |
572 |
29.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
30.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.073 |
19 |
39 |
|
[SO4]A:602 |
1 |
1 |
184 |
f |
[TPP]A:600 |
x,y,z |
1_555 |
3 |
1 |
575 |
10.0 |
-1.1 |
0.727 |
0 |
0 |
0 |
0.015 |
40 |
|
[SO4]D:602 |
1 |
1 |
184 |
f |
[TPP]D:600 |
x,y,z |
1_555 |
3 |
1 |
574 |
9.2 |
-1.1 |
0.723 |
0 |
0 |
0 |
0.015 |
41 |
|
[SO4]B:602 |
1 |
1 |
185 |
f |
[TPP]B:600 |
x,y,z |
1_555 |
2 |
1 |
576 |
8.1 |
-0.9 |
0.693 |
0 |
0 |
0 |
0.015 |
42 |
|
[SO4]C:602 |
1 |
1 |
185 |
f |
[TPP]C:600 |
x,y,z |
1_555 |
2 |
1 |
572 |
7.3 |
-0.8 |
0.695 |
0 |
0 |
0 |
0.015 |
Average: |
8.6 |
-1.0 |
0.709 |
0 |
0 |
0 |
0.015 |
20 |
43 |
|
D |
1 |
1 |
20743 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
20373 |
1.0 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
|