## |
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 |
354 |
97 |
18381 |
◊ |
C |
x,y,z |
1_555 |
358 |
99 |
18340 |
3404.8 |
-40.7 |
0.003 |
45 |
19 |
0 |
0.735 |
2 |
|
B |
350 |
93 |
18370 |
◊ |
A |
x,y,z |
1_555 |
349 |
97 |
18278 |
3379.2 |
-37.9 |
0.005 |
47 |
24 |
0 |
0.735 |
Average: |
3392.0 |
-39.3 |
0.004 |
46 |
22 |
0 |
0.735 |
2 |
3 |
|
C |
51 |
12 |
18340 |
◊ |
A |
x,y,z |
1_555 |
56 |
14 |
18278 |
472.6 |
0.1 |
0.694 |
12 |
5 |
0 |
0.000 |
4 |
|
D |
56 |
13 |
18381 |
◊ |
B |
x,y,z |
1_555 |
48 |
11 |
18370 |
470.2 |
0.1 |
0.677 |
11 |
5 |
0 |
0.000 |
Average: |
471.4 |
0.1 |
0.686 |
12 |
5 |
0 |
0.000 |
3 |
5 |
|
[DOW]A:503 |
37 |
1 |
727 |
f |
A |
x,y,z |
1_555 |
59 |
22 |
18278 |
454.5 |
-4.8 |
0.612 |
13 |
0 |
0 |
0.259 |
6 |
|
[DOW]B:503 |
37 |
1 |
733 |
f |
B |
x,y,z |
1_555 |
62 |
22 |
18370 |
452.4 |
-5.6 |
0.556 |
13 |
0 |
0 |
0.259 |
7 |
|
[DOW]C:503 |
37 |
1 |
730 |
f |
C |
x,y,z |
1_555 |
59 |
22 |
18340 |
452.3 |
-5.2 |
0.590 |
14 |
0 |
0 |
0.259 |
8 |
|
[DOW]D:502 |
37 |
1 |
725 |
f |
D |
x,y,z |
1_555 |
60 |
22 |
18381 |
450.9 |
-5.2 |
0.548 |
13 |
0 |
0 |
0.259 |
Average: |
452.5 |
-5.2 |
0.577 |
13 |
0 |
0 |
0.259 |
4 |
9 |
|
C |
49 |
17 |
18340 |
◊ |
D |
x-1,y,z |
1_455 |
49 |
14 |
18381 |
430.7 |
-1.0 |
0.549 |
3 |
3 |
0 |
0.000 |
10 |
|
A |
48 |
13 |
18278 |
◊ |
B |
x-1,y,z |
1_455 |
43 |
13 |
18370 |
396.7 |
-1.3 |
0.323 |
4 |
3 |
0 |
0.000 |
Average: |
413.7 |
-1.2 |
0.436 |
4 |
3 |
0 |
0.000 |
5 |
11 |
|
B |
32 |
12 |
18370 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
34 |
7 |
18278 |
305.9 |
2.2 |
0.834 |
8 |
8 |
0 |
0.000 |
6 |
12 |
|
D |
29 |
6 |
18381 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
9 |
18381 |
290.1 |
2.4 |
0.836 |
7 |
1 |
0 |
0.000 |
13 |
|
A |
27 |
6 |
18278 |
x |
A |
-x+2,y-1/2,-z+2 |
2_747 |
32 |
8 |
18278 |
257.5 |
0.5 |
0.708 |
2 |
0 |
0 |
0.000 |
Average: |
273.8 |
1.5 |
0.772 |
5 |
1 |
0 |
0.000 |
7 |
14 |
|
C |
28 |
10 |
18340 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
7 |
18381 |
258.8 |
3.4 |
0.916 |
4 |
12 |
0 |
0.000 |
8 |
15 |
|
[MPO]A:501 |
13 |
1 |
357 |
◊ |
A |
x,y,z |
1_555 |
26 |
11 |
18278 |
198.9 |
3.9 |
0.181 |
2 |
0 |
0 |
0.000 |
9 |
16 |
|
[MPO]C:501 |
12 |
1 |
344 |
◊ |
C |
x,y,z |
1_555 |
24 |
10 |
18340 |
196.6 |
5.1 |
0.351 |
4 |
0 |
0 |
0.000 |
10 |
17 |
|
[MPO]B:501 |
12 |
1 |
359 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
18370 |
186.4 |
4.0 |
0.173 |
2 |
0 |
0 |
0.000 |
11 |
18 |
|
D |
22 |
8 |
18381 |
x |
D |
-x+2,y-1/2,-z+1 |
2_746 |
23 |
8 |
18381 |
182.8 |
-0.0 |
0.635 |
3 |
1 |
0 |
0.000 |
12 |
19 |
|
A |
18 |
6 |
18278 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
14 |
6 |
18278 |
151.0 |
-0.3 |
0.570 |
1 |
0 |
0 |
0.000 |
13 |
20 |
|
C |
15 |
5 |
18340 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
18370 |
130.5 |
0.9 |
0.764 |
2 |
0 |
0 |
0.000 |
14 |
21 |
|
A |
14 |
4 |
18278 |
◊ |
B |
x-1,y+1,z |
1_465 |
16 |
6 |
18370 |
127.0 |
-1.5 |
0.330 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[SO4]D:503 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
18381 |
115.2 |
-17.3 |
0.506 |
2 |
0 |
0 |
0.144 |
16 |
23 |
|
[EDO]B:502 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
18370 |
113.3 |
4.6 |
0.557 |
6 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]C:502 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
18340 |
111.8 |
4.4 |
0.555 |
6 |
0 |
0 |
0.000 |
18 |
25 |
|
[DOW]A:503 |
10 |
1 |
727 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
18370 |
100.9 |
-3.8 |
0.369 |
2 |
0 |
0 |
0.113 |
26 |
|
[DOW]D:502 |
10 |
1 |
725 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
18340 |
99.7 |
-3.8 |
0.364 |
2 |
0 |
0 |
0.113 |
27 |
|
[DOW]C:503 |
10 |
1 |
730 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
18381 |
97.2 |
-3.9 |
0.358 |
2 |
0 |
0 |
0.113 |
28 |
|
[DOW]B:503 |
10 |
1 |
733 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
18278 |
95.9 |
-4.0 |
0.351 |
2 |
0 |
0 |
0.113 |
Average: |
98.5 |
-3.9 |
0.360 |
2 |
0 |
0 |
0.113 |
19 |
29 |
|
[SO4]D:504 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
18381 |
95.8 |
-13.8 |
0.787 |
1 |
0 |
0 |
0.113 |
20 |
30 |
|
C |
12 |
6 |
18340 |
◊ |
D |
x,y-1,z |
1_545 |
7 |
2 |
18381 |
91.0 |
2.1 |
0.790 |
1 |
0 |
0 |
0.000 |
21 |
31 |
|
B |
10 |
6 |
18370 |
◊ |
A |
x,y-1,z |
1_545 |
15 |
6 |
18278 |
85.9 |
1.1 |
0.787 |
1 |
0 |
0 |
0.000 |
22 |
32 |
|
[EDO]A:502 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
18340 |
81.6 |
2.5 |
0.444 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[EDO]D:501 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
18370 |
77.7 |
2.4 |
0.441 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
[MPO]C:501 |
6 |
1 |
344 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
18381 |
63.7 |
0.5 |
0.088 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[MPO]B:501 |
9 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
18278 |
62.7 |
0.7 |
0.028 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[MPO]A:501 |
8 |
1 |
357 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
18370 |
56.6 |
0.3 |
0.044 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
C |
5 |
2 |
18340 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
18370 |
48.6 |
-0.0 |
0.347 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[EDO]D:501 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
18381 |
47.9 |
0.5 |
0.578 |
1 |
0 |
0 |
0.000 |
29 |
39 |
|
[EDO]A:502 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
18278 |
46.6 |
0.5 |
0.587 |
1 |
0 |
0 |
0.000 |
30 |
40 |
|
C |
8 |
4 |
18340 |
◊ |
D |
x-1,y-1,z |
1_445 |
7 |
2 |
18381 |
35.5 |
-0.9 |
0.352 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
B |
6 |
2 |
18370 |
x |
B |
x,y-1,z |
1_545 |
4 |
2 |
18370 |
31.3 |
0.4 |
0.625 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[SO4]D:503 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
18340 |
29.9 |
-4.1 |
0.381 |
0 |
0 |
0 |
0.032 |
33 |
43 |
|
B |
1 |
1 |
18370 |
x |
B |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
18370 |
12.7 |
0.4 |
0.891 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[SO4]D:504 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18370 |
11.9 |
-1.2 |
0.843 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
D |
1 |
1 |
18381 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
18340 |
1.5 |
0.1 |
0.798 |
0 |
0 |
0 |
0.000 |
|