## |
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 |
133 |
33 |
13910 |
◊ |
A |
-x,y,-z |
2_555 |
128 |
34 |
13919 |
1179.8 |
-9.7 |
0.350 |
21 |
5 |
0 |
0.166 |
2 |
2 |
|
[LU8]B:501 |
30 |
1 |
702 |
f |
B |
x,y,z |
1_555 |
56 |
23 |
13910 |
433.8 |
-7.0 |
0.421 |
1 |
0 |
0 |
0.128 |
3 |
|
[LU8]A:501 |
31 |
1 |
707 |
f |
A |
x,y,z |
1_555 |
57 |
23 |
13919 |
430.2 |
-7.4 |
0.449 |
1 |
0 |
0 |
0.128 |
Average: |
432.0 |
-7.2 |
0.435 |
1 |
0 |
0 |
0.128 |
3 |
4 |
|
B |
42 |
11 |
13910 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
13919 |
357.0 |
-0.4 |
0.682 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
[LU8]A:507 |
24 |
1 |
706 |
f |
A |
x,y,z |
1_555 |
41 |
13 |
13919 |
267.3 |
-4.5 |
0.492 |
1 |
0 |
0 |
0.041 |
5 |
6 |
|
B |
21 |
5 |
13910 |
x |
B |
-x-1/2,y-1/2,-z-1 |
4_444 |
33 |
9 |
13910 |
227.8 |
-1.4 |
0.511 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
31 |
10 |
13919 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
29 |
8 |
13910 |
224.3 |
-0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
25 |
6 |
13919 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
19 |
1 |
702 |
197.2 |
-2.9 |
0.506 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[LU8]A:507 |
23 |
1 |
706 |
◊ |
B |
-x,y,-z |
2_555 |
26 |
9 |
13910 |
186.0 |
-3.5 |
0.436 |
1 |
0 |
0 |
0.033 |
9 |
10 |
|
B |
21 |
6 |
13910 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
21 |
6 |
13910 |
174.2 |
0.8 |
0.761 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
A |
22 |
7 |
13919 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
19 |
6 |
13919 |
172.3 |
1.7 |
0.848 |
6 |
2 |
0 |
0.000 |
11 |
12 |
|
[LU8]A:508 |
17 |
1 |
702 |
◊ |
B |
-x,y,-z |
2_555 |
21 |
5 |
13910 |
149.3 |
-2.7 |
0.523 |
0 |
0 |
0 |
0.023 |
12 |
13 |
|
A |
14 |
5 |
13919 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
15 |
4 |
13910 |
147.6 |
1.7 |
0.868 |
5 |
0 |
0 |
0.000 |
13 |
14 |
|
[LU8]A:508 |
16 |
1 |
702 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13919 |
144.9 |
-3.5 |
0.390 |
0 |
0 |
0 |
0.029 |
14 |
15 |
|
[LU8]A:508 |
21 |
1 |
702 |
f |
[LU8]A:507 |
x,y,z |
1_555 |
22 |
1 |
706 |
141.4 |
-0.7 |
0.849 |
0 |
0 |
0 |
0.006 |
15 |
16 |
|
B |
14 |
3 |
13910 |
◊ |
A |
x-1/2,y+1/2,z-1 |
3_454 |
14 |
4 |
13919 |
131.0 |
-1.1 |
0.439 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]B:503 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
21 |
9 |
13910 |
118.0 |
4.3 |
0.726 |
3 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:503 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
13919 |
115.5 |
4.0 |
0.534 |
2 |
0 |
0 |
0.000 |
Average: |
116.7 |
4.1 |
0.630 |
3 |
0 |
0 |
0.000 |
17 |
19 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
13910 |
108.5 |
-15.5 |
0.850 |
2 |
0 |
0 |
0.137 |
18 |
20 |
|
[SO4]A:510 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
13919 |
108.2 |
-15.6 |
0.869 |
3 |
0 |
0 |
0.142 |
19 |
21 |
|
[EDO]A:502 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
13919 |
107.2 |
4.0 |
0.714 |
6 |
0 |
0 |
0.000 |
20 |
22 |
|
[EDO]B:508 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
13910 |
105.5 |
4.1 |
0.691 |
5 |
0 |
0 |
0.000 |
21 |
23 |
|
[EDO]A:513 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
13919 |
99.8 |
3.3 |
0.498 |
3 |
0 |
0 |
0.000 |
22 |
24 |
|
[TAR]A:506 |
9 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13919 |
96.3 |
-1.2 |
0.323 |
1 |
0 |
0 |
0.013 |
23 |
25 |
|
[EDO]A:505 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
13919 |
94.2 |
3.1 |
0.525 |
6 |
0 |
0 |
0.000 |
24 |
26 |
|
[SO4]A:512 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13919 |
93.3 |
-12.0 |
0.934 |
3 |
0 |
0 |
0.112 |
25 |
27 |
|
[SO4]B:507 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
13910 |
81.5 |
-10.0 |
0.913 |
2 |
0 |
0 |
0.092 |
26 |
28 |
|
[EDO]A:517 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13919 |
80.3 |
2.2 |
0.280 |
2 |
0 |
0 |
0.000 |
27 |
29 |
|
[EDO]B:510 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13910 |
79.6 |
1.5 |
0.220 |
1 |
0 |
0 |
0.000 |
28 |
30 |
|
[EDO]A:515 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
13919 |
78.1 |
1.8 |
0.474 |
1 |
0 |
0 |
0.000 |
29 |
31 |
|
[EDO]B:509 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
13910 |
77.7 |
0.4 |
0.315 |
2 |
0 |
0 |
0.004 |
30 |
32 |
|
[EDO]A:514 |
4 |
1 |
182 |
◊ |
B |
-x,y,-z |
2_555 |
10 |
5 |
13910 |
70.9 |
1.8 |
0.203 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[SO4]A:511 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13919 |
68.9 |
-9.7 |
0.830 |
2 |
0 |
0 |
0.089 |
32 |
34 |
|
[SO4]B:506 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13910 |
68.0 |
-9.8 |
0.625 |
2 |
0 |
0 |
0.090 |
33 |
35 |
|
[DMS]B:504 |
3 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
13910 |
67.6 |
3.2 |
0.616 |
1 |
0 |
0 |
0.000 |
34 |
36 |
|
[EDO]A:516 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13919 |
65.5 |
1.1 |
0.568 |
1 |
0 |
0 |
0.000 |
35 |
37 |
|
B |
12 |
3 |
13910 |
◊ |
[LU8]B:501 |
-x-1/2,y-1/2,-z-1 |
4_444 |
6 |
1 |
702 |
63.0 |
-1.0 |
0.587 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[EDO]A:504 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13919 |
60.2 |
1.7 |
0.893 |
1 |
0 |
0 |
0.000 |
37 |
39 |
|
[SO4]A:511 |
4 |
1 |
184 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
8 |
3 |
13910 |
50.3 |
-6.3 |
0.791 |
1 |
0 |
0 |
0.000 |
38 |
40 |
|
[EDO]A:505 |
4 |
1 |
186 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
8 |
2 |
13910 |
47.8 |
1.0 |
0.772 |
1 |
0 |
0 |
0.000 |
39 |
41 |
|
[EDO]A:515 |
3 |
1 |
184 |
◊ |
[LU8]A:508 |
-x-1/2,y-1/2,-z |
4_445 |
6 |
1 |
702 |
44.5 |
1.4 |
0.320 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
[EDO]A:514 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
13919 |
39.1 |
0.3 |
0.616 |
1 |
0 |
0 |
0.002 |
41 |
43 |
|
[EDO]A:514 |
2 |
1 |
182 |
f |
[LU8]A:507 |
x,y,z |
1_555 |
6 |
1 |
706 |
37.3 |
0.9 |
0.871 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[EDO]A:515 |
2 |
1 |
184 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
706 |
33.1 |
0.8 |
0.600 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
[EDO]A:515 |
3 |
1 |
184 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
13919 |
22.4 |
0.7 |
0.952 |
1 |
0 |
0 |
0.000 |
44 |
46 |
|
A |
2 |
2 |
13919 |
◊ |
[LU8]A:507 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
706 |
20.4 |
0.1 |
0.789 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
[TAR]A:506 |
4 |
1 |
269 |
◊ |
A |
-x,y,-z+1 |
2_556 |
5 |
3 |
13919 |
19.8 |
-0.1 |
0.466 |
0 |
0 |
0 |
0.000 |
46 |
48 |
|
[EDO]A:504 |
2 |
1 |
185 |
f |
A |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
13919 |
15.8 |
-0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
47 |
49 |
|
[SO4]B:507 |
3 |
1 |
183 |
f |
[SO4]B:506 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.0 |
-1.9 |
0.891 |
0 |
0 |
0 |
0.016 |
48 |
50 |
|
[SO4]A:512 |
1 |
1 |
184 |
f |
[EDO]A:505 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.1 |
-0.6 |
0.894 |
0 |
0 |
0 |
0.005 |
49 |
51 |
|
[EDO]B:503 |
1 |
1 |
188 |
f |
B |
-x-1,y,-z-1 |
2_454 |
1 |
1 |
13910 |
1.7 |
-0.0 |
0.693 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[SO4]A:510 |
1 |
1 |
185 |
f |
[EDO]A:502 |
x,y,z |
1_555 |
1 |
1 |
187 |
1.0 |
-0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
A |
1 |
1 |
13919 |
◊ |
[SO4]A:510 |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
185 |
0.7 |
-0.1 |
0.835 |
0 |
0 |
0 |
0.000 |
|