## |
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 |
120 |
30 |
13602 |
◊ |
A |
-x,y,-z |
2_555 |
121 |
29 |
13844 |
1091.7 |
-9.5 |
0.404 |
17 |
4 |
0 |
0.171 |
2 |
2 |
|
[LU8]A:501 |
30 |
1 |
711 |
f |
A |
x,y,z |
1_555 |
58 |
23 |
13844 |
431.7 |
-8.2 |
0.377 |
1 |
0 |
0 |
0.171 |
3 |
|
[LU8]B:501 |
31 |
1 |
707 |
f |
B |
x,y,z |
1_555 |
57 |
23 |
13602 |
418.3 |
-8.6 |
0.393 |
1 |
0 |
0 |
0.171 |
Average: |
425.0 |
-8.4 |
0.385 |
1 |
0 |
0 |
0.171 |
3 |
4 |
|
[LU8]A:507 |
20 |
1 |
704 |
f |
A |
x,y,z |
1_555 |
34 |
11 |
13844 |
254.5 |
-5.3 |
0.379 |
0 |
0 |
0 |
0.051 |
4 |
5 |
|
B |
26 |
9 |
13602 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
13844 |
238.1 |
-2.0 |
0.459 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
25 |
6 |
13602 |
x |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
27 |
6 |
13602 |
231.6 |
-3.3 |
0.305 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
34 |
11 |
13844 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
27 |
8 |
13602 |
222.4 |
-0.7 |
0.642 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
24 |
5 |
13844 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
20 |
1 |
712 |
187.0 |
-3.8 |
0.432 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
21 |
6 |
13602 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
21 |
6 |
13602 |
179.2 |
1.0 |
0.811 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
[LU8]A:507 |
20 |
1 |
704 |
◊ |
B |
-x,y,-z |
2_555 |
24 |
7 |
13602 |
171.4 |
-3.4 |
0.403 |
0 |
0 |
0 |
0.033 |
10 |
11 |
|
[LU8]A:508 |
24 |
1 |
712 |
f |
[LU8]A:507 |
x,y,z |
1_555 |
22 |
1 |
704 |
156.4 |
-2.2 |
0.781 |
0 |
0 |
0 |
0.021 |
11 |
12 |
|
A |
19 |
7 |
13844 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
19 |
7 |
13844 |
149.7 |
0.9 |
0.795 |
5 |
2 |
0 |
0.000 |
12 |
13 |
|
B |
15 |
5 |
13602 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
16 |
5 |
13844 |
147.1 |
-1.2 |
0.468 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
A |
16 |
5 |
13844 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
13 |
3 |
13602 |
143.5 |
1.5 |
0.885 |
5 |
0 |
0 |
0.000 |
14 |
15 |
|
[LU8]A:508 |
16 |
1 |
712 |
◊ |
B |
-x,y,-z |
2_555 |
19 |
5 |
13602 |
143.3 |
-1.9 |
0.579 |
0 |
0 |
0 |
0.019 |
15 |
16 |
|
[LU8]A:508 |
13 |
1 |
712 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
13844 |
131.8 |
-3.3 |
0.414 |
0 |
0 |
0 |
0.032 |
16 |
17 |
|
[PPI]B:505 |
5 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
13602 |
119.9 |
4.8 |
0.572 |
1 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]B:503 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
13602 |
118.5 |
4.1 |
0.736 |
3 |
0 |
0 |
0.000 |
18 |
19 |
|
[PPI]A:510 |
5 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
13844 |
114.5 |
4.1 |
0.615 |
1 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]A:503 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
13844 |
114.4 |
4.0 |
0.528 |
2 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]A:514 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
13844 |
105.9 |
3.4 |
0.502 |
3 |
0 |
0 |
0.000 |
21 |
22 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
13602 |
103.0 |
-14.4 |
0.873 |
2 |
0 |
0 |
0.148 |
22 |
23 |
|
[SO4]A:511 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13844 |
102.3 |
-14.8 |
0.837 |
2 |
0 |
0 |
0.152 |
23 |
24 |
|
[EDO]A:502 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
13844 |
101.2 |
3.5 |
0.491 |
2 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]B:508 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
13602 |
100.5 |
3.2 |
0.485 |
2 |
0 |
0 |
0.000 |
25 |
26 |
|
[SO4]A:513 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13844 |
95.2 |
-12.3 |
0.937 |
3 |
0 |
0 |
0.132 |
26 |
27 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13844 |
91.3 |
3.1 |
0.524 |
5 |
0 |
0 |
0.000 |
27 |
28 |
|
[SO4]B:507 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
13602 |
85.0 |
-11.7 |
0.780 |
1 |
0 |
0 |
0.118 |
28 |
29 |
|
[EDO]A:515 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13844 |
81.9 |
1.7 |
0.237 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[EDO]B:509 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
13602 |
80.4 |
0.5 |
0.404 |
2 |
0 |
0 |
0.004 |
30 |
31 |
|
[EDO]B:510 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13602 |
77.8 |
1.4 |
0.231 |
1 |
0 |
0 |
0.000 |
31 |
32 |
|
[EDO]A:517 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13844 |
77.5 |
3.2 |
0.327 |
2 |
0 |
0 |
0.000 |
32 |
33 |
|
B |
11 |
5 |
13602 |
f |
[PPI]A:509 |
x-1/2,y+1/2,z-1 |
3_454 |
5 |
1 |
209 |
71.9 |
1.4 |
0.722 |
2 |
0 |
0 |
0.000 |
33 |
34 |
|
[SO4]B:506 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13602 |
69.6 |
-10.1 |
0.664 |
2 |
0 |
0 |
0.107 |
34 |
35 |
|
[SO4]A:512 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13844 |
68.3 |
-9.2 |
0.822 |
1 |
0 |
0 |
0.093 |
35 |
36 |
|
[DMS]B:504 |
3 |
1 |
208 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
13602 |
66.0 |
2.7 |
0.602 |
1 |
0 |
0 |
0.000 |
36 |
37 |
|
[EDO]A:516 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13844 |
60.9 |
1.0 |
0.581 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
[EDO]A:504 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
13844 |
59.4 |
1.7 |
0.877 |
1 |
0 |
0 |
0.000 |
38 |
39 |
|
[DMS]A:506 |
3 |
1 |
208 |
◊ |
B |
-x,y,-z |
2_555 |
6 |
2 |
13602 |
53.1 |
1.3 |
0.496 |
1 |
0 |
0 |
0.000 |
39 |
40 |
|
[EDO]A:505 |
4 |
1 |
185 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
8 |
2 |
13602 |
49.5 |
1.1 |
0.794 |
1 |
0 |
0 |
0.000 |
40 |
41 |
|
[DMS]A:506 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
13844 |
48.4 |
-0.3 |
0.301 |
0 |
0 |
0 |
0.002 |
41 |
42 |
|
[PPI]A:509 |
3 |
1 |
209 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13844 |
48.2 |
1.8 |
0.943 |
0 |
0 |
0 |
0.000 |
42 |
43 |
|
[SO4]A:512 |
4 |
1 |
183 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
5 |
3 |
13602 |
46.7 |
-5.7 |
0.830 |
1 |
0 |
0 |
0.000 |
43 |
44 |
|
[EDO]A:515 |
3 |
1 |
185 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
6 |
1 |
712 |
45.1 |
0.7 |
0.802 |
0 |
0 |
0 |
0.000 |
44 |
45 |
|
B |
7 |
1 |
13602 |
◊ |
[LU8]B:501 |
-x-1/2,y-1/2,-z-1 |
4_444 |
4 |
1 |
707 |
40.0 |
0.1 |
0.520 |
0 |
0 |
0 |
0.000 |
45 |
46 |
|
[EDO]A:515 |
3 |
1 |
185 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
704 |
37.0 |
0.2 |
0.720 |
0 |
0 |
0 |
0.000 |
46 |
47 |
|
[PPI]A:510 |
2 |
1 |
207 |
f |
[LU8]A:501 |
x,y,z |
1_555 |
1 |
1 |
711 |
31.4 |
0.3 |
0.237 |
0 |
0 |
0 |
0.000 |
47 |
48 |
|
[EDO]A:504 |
3 |
1 |
185 |
f |
A |
-x-1/2,y-1/2,-z |
4_445 |
3 |
2 |
13844 |
27.3 |
-0.0 |
0.475 |
0 |
0 |
0 |
0.000 |
48 |
49 |
|
[PPI]B:505 |
1 |
1 |
208 |
f |
[LU8]B:501 |
x,y,z |
1_555 |
2 |
1 |
707 |
27.0 |
0.3 |
0.462 |
0 |
0 |
0 |
0.000 |
49 |
50 |
|
[DMS]A:506 |
3 |
1 |
208 |
f |
[LU8]A:508 |
x,y,z |
1_555 |
6 |
1 |
712 |
25.3 |
-0.0 |
0.375 |
0 |
0 |
0 |
0.000 |
50 |
51 |
|
A |
4 |
2 |
13844 |
◊ |
[DMS]A:506 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
208 |
22.6 |
0.4 |
0.409 |
0 |
0 |
0 |
0.000 |
51 |
52 |
|
[DMS]B:504 |
2 |
1 |
208 |
◊ |
A |
x-1/2,y-1/2,z-1 |
3_444 |
2 |
1 |
13844 |
22.5 |
0.5 |
0.629 |
0 |
0 |
0 |
0.000 |
52 |
53 |
|
A |
1 |
1 |
13844 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
704 |
17.8 |
-0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
53 |
54 |
|
[SO4]B:502 |
1 |
1 |
184 |
f |
[EDO]B:508 |
x,y,z |
1_555 |
2 |
1 |
182 |
9.4 |
-0.9 |
0.894 |
0 |
0 |
0 |
0.008 |
54 |
55 |
|
[SO4]B:507 |
3 |
1 |
183 |
f |
[SO4]B:506 |
x,y,z |
1_555 |
1 |
1 |
184 |
8.7 |
-1.9 |
0.891 |
0 |
0 |
0 |
0.019 |
55 |
56 |
|
[SO4]A:512 |
1 |
1 |
183 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
712 |
4.5 |
-0.7 |
0.725 |
0 |
0 |
0 |
0.000 |
56 |
57 |
|
[SO4]A:513 |
1 |
1 |
184 |
f |
[EDO]A:505 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.4 |
-0.5 |
0.894 |
0 |
0 |
0 |
0.004 |
57 |
58 |
|
[DMS]B:504 |
1 |
1 |
208 |
f |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
1 |
1 |
13602 |
3.3 |
0.1 |
0.435 |
0 |
0 |
0 |
0.000 |
58 |
59 |
|
[SO4]A:511 |
1 |
1 |
184 |
f |
[EDO]A:502 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.1 |
-0.3 |
1.000 |
0 |
0 |
0 |
0.003 |
59 |
60 |
|
A |
1 |
1 |
13844 |
◊ |
[SO4]A:511 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
184 |
1.2 |
-0.1 |
0.855 |
0 |
0 |
0 |
0.000 |
|