## |
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 |
376 |
106 |
20677 |
◊ |
C |
x,y,z |
1_555 |
378 |
104 |
20507 |
3557.8 |
-36.7 |
0.050 |
44 |
10 |
0 |
0.306 |
2 |
|
B |
373 |
105 |
20864 |
◊ |
A |
x,y,z |
1_555 |
377 |
105 |
20577 |
3551.2 |
-34.1 |
0.052 |
44 |
11 |
0 |
0.306 |
Average: |
3554.5 |
-35.4 |
0.051 |
44 |
11 |
0 |
0.306 |
2 |
3 |
|
D |
100 |
32 |
20677 |
◊ |
B |
x,y,z |
1_555 |
105 |
33 |
20864 |
1017.4 |
-6.7 |
0.403 |
14 |
24 |
0 |
0.124 |
4 |
|
C |
97 |
33 |
20507 |
◊ |
A |
x,y,z |
1_555 |
97 |
33 |
20577 |
1003.9 |
-6.3 |
0.417 |
14 |
24 |
0 |
0.124 |
Average: |
1010.7 |
-6.5 |
0.410 |
14 |
24 |
0 |
0.124 |
3 |
5 |
|
A |
52 |
16 |
20577 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
57 |
15 |
20864 |
467.2 |
-1.5 |
0.600 |
7 |
2 |
0 |
0.000 |
4 |
6 |
|
B |
61 |
19 |
20864 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
48 |
18 |
20677 |
441.4 |
-0.3 |
0.686 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
58 |
16 |
20864 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
51 |
14 |
20507 |
423.7 |
-5.9 |
0.216 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
[TPP]C:600 |
25 |
1 |
577 |
f |
C |
x,y,z |
1_555 |
45 |
20 |
20507 |
294.5 |
-7.8 |
0.409 |
11 |
0 |
0 |
0.186 |
9 |
|
[TPP]A:600 |
25 |
1 |
577 |
f |
A |
x,y,z |
1_555 |
45 |
20 |
20577 |
291.8 |
-7.7 |
0.396 |
10 |
0 |
0 |
0.186 |
10 |
|
[TPP]B:600 |
25 |
1 |
573 |
f |
B |
x,y,z |
1_555 |
46 |
20 |
20864 |
289.6 |
-7.7 |
0.408 |
10 |
0 |
0 |
0.186 |
11 |
|
[TPP]D:600 |
25 |
1 |
573 |
f |
D |
x,y,z |
1_555 |
45 |
20 |
20677 |
289.5 |
-7.8 |
0.417 |
11 |
0 |
0 |
0.186 |
Average: |
291.3 |
-7.8 |
0.408 |
11 |
0 |
0 |
0.186 |
7 |
12 |
|
C |
27 |
10 |
20507 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
20864 |
223.9 |
1.8 |
0.870 |
3 |
0 |
0 |
0.000 |
13 |
|
D |
26 |
10 |
20677 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
20577 |
214.1 |
1.8 |
0.877 |
3 |
0 |
0 |
0.000 |
Average: |
219.0 |
1.8 |
0.874 |
3 |
0 |
0 |
0.000 |
8 |
14 |
|
[TPP]B:600 |
10 |
1 |
573 |
◊ |
A |
x,y,z |
1_555 |
17 |
10 |
20577 |
130.1 |
0.4 |
0.631 |
0 |
0 |
0 |
0.000 |
15 |
|
[TPP]D:600 |
10 |
1 |
573 |
◊ |
C |
x,y,z |
1_555 |
16 |
10 |
20507 |
128.9 |
0.5 |
0.666 |
0 |
0 |
0 |
0.000 |
16 |
|
[TPP]C:600 |
10 |
1 |
577 |
◊ |
D |
x,y,z |
1_555 |
16 |
10 |
20677 |
127.9 |
0.3 |
0.616 |
0 |
0 |
0 |
0.000 |
17 |
|
[TPP]A:600 |
10 |
1 |
577 |
◊ |
B |
x,y,z |
1_555 |
15 |
10 |
20864 |
127.8 |
0.3 |
0.608 |
0 |
0 |
0 |
0.000 |
Average: |
128.7 |
0.4 |
0.630 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
D |
9 |
4 |
20677 |
x |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
19 |
8 |
20677 |
129.2 |
2.2 |
0.901 |
3 |
0 |
0 |
0.000 |
10 |
19 |
|
[SO4]C:603 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
20507 |
112.3 |
-16.3 |
0.781 |
6 |
0 |
0 |
0.141 |
11 |
20 |
|
[SO4]A:603 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
20577 |
111.6 |
-16.6 |
0.778 |
4 |
0 |
0 |
0.136 |
12 |
21 |
|
[SO4]D:603 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
20677 |
110.2 |
-16.0 |
0.784 |
4 |
0 |
0 |
0.134 |
13 |
22 |
|
[SO4]B:603 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
20864 |
109.4 |
-16.1 |
0.861 |
5 |
0 |
0 |
0.137 |
14 |
23 |
|
[SO4]C:602 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
20507 |
100.9 |
-15.4 |
0.679 |
3 |
0 |
0 |
0.124 |
24 |
|
[SO4]B:602 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
20864 |
93.1 |
-14.5 |
0.623 |
3 |
0 |
0 |
0.124 |
Average: |
97.0 |
-14.9 |
0.651 |
3 |
0 |
0 |
0.124 |
15 |
25 |
|
[SO4]D:602 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
20677 |
96.0 |
-14.7 |
0.635 |
3 |
0 |
0 |
0.120 |
26 |
|
[SO4]A:602 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
20577 |
95.9 |
-14.5 |
0.646 |
3 |
0 |
0 |
0.120 |
Average: |
95.9 |
-14.6 |
0.641 |
3 |
0 |
0 |
0.120 |
16 |
27 |
|
[SO4]B:602 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
20577 |
49.9 |
-6.7 |
0.618 |
1 |
0 |
0 |
0.038 |
17 |
28 |
|
[SO4]A:602 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
20864 |
49.9 |
-6.6 |
0.561 |
1 |
0 |
0 |
0.038 |
29 |
|
[SO4]D:602 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
20507 |
47.2 |
-6.4 |
0.543 |
1 |
0 |
0 |
0.038 |
Average: |
48.5 |
-6.5 |
0.552 |
1 |
0 |
0 |
0.038 |
18 |
30 |
|
[SO4]C:602 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
20677 |
42.3 |
-5.8 |
0.514 |
1 |
0 |
0 |
0.033 |
19 |
31 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
20864 |
40.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.092 |
32 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
20577 |
39.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.092 |
33 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
20507 |
39.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.092 |
34 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
8 |
20677 |
39.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
39.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.092 |
20 |
35 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[TPP]A:600 |
x,y,z |
1_555 |
3 |
1 |
577 |
30.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.072 |
36 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
[TPP]D:600 |
x,y,z |
1_555 |
4 |
1 |
573 |
29.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.072 |
37 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
[TPP]B:600 |
x,y,z |
1_555 |
4 |
1 |
573 |
29.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.072 |
38 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
[TPP]C:600 |
x,y,z |
1_555 |
4 |
1 |
577 |
29.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
30.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.072 |
21 |
39 |
|
[SO4]A:602 |
1 |
1 |
186 |
f |
[TPP]A:600 |
x,y,z |
1_555 |
2 |
1 |
577 |
9.5 |
-1.1 |
0.674 |
0 |
0 |
0 |
0.016 |
40 |
|
[SO4]D:602 |
1 |
1 |
184 |
f |
[TPP]D:600 |
x,y,z |
1_555 |
2 |
1 |
573 |
9.1 |
-1.0 |
0.697 |
0 |
0 |
0 |
0.016 |
41 |
|
[SO4]B:602 |
1 |
1 |
185 |
f |
[TPP]B:600 |
x,y,z |
1_555 |
3 |
1 |
573 |
9.0 |
-1.0 |
0.731 |
0 |
0 |
0 |
0.016 |
42 |
|
[SO4]C:602 |
1 |
1 |
185 |
f |
[TPP]C:600 |
x,y,z |
1_555 |
2 |
1 |
577 |
8.0 |
-0.9 |
0.672 |
0 |
0 |
0 |
0.016 |
Average: |
8.9 |
-1.0 |
0.694 |
0 |
0 |
0 |
0.016 |
|