## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
47 |
13 |
7560 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
47 |
13 |
7560 |
448.8 |
0.4 |
0.588 |
2 |
0 |
0 |
0.000 |
2 |
|
B |
44 |
5 |
1517 |
◊ |
A |
x,y,z |
1_555 |
60 |
22 |
7560 |
432.8 |
-11.3 |
0.234 |
11 |
0 |
0 |
0.571 |
3 |
|
C |
41 |
5 |
1550 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
7560 |
396.0 |
-3.0 |
0.565 |
8 |
0 |
0 |
0.018 |
4 |
|
A |
43 |
12 |
7560 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
38 |
12 |
7560 |
323.8 |
2.5 |
0.707 |
2 |
5 |
0 |
0.000 |
5 |
|
B |
30 |
6 |
1517 |
◊ |
C |
x,y,z |
1_555 |
34 |
6 |
1550 |
285.2 |
-2.7 |
0.652 |
14 |
0 |
0 |
0.086 |
6 |
|
A |
17 |
4 |
7560 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
18 |
6 |
7560 |
146.8 |
-0.5 |
0.473 |
0 |
1 |
0 |
0.000 |
7 |
|
[GOL]A:206 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
7560 |
124.8 |
-0.7 |
0.525 |
2 |
0 |
0 |
0.193 |
8 |
|
[EDO]A:212 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
5 |
7560 |
94.5 |
2.8 |
0.418 |
1 |
0 |
0 |
0.000 |
9 |
|
C |
13 |
1 |
1550 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
1 |
1550 |
92.0 |
2.0 |
0.752 |
0 |
0 |
0 |
0.000 |
10 |
|
B |
13 |
1 |
1517 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
1 |
1517 |
92.0 |
3.1 |
0.883 |
0 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:207 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
7560 |
90.3 |
2.5 |
0.266 |
2 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:209 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
7560 |
83.1 |
2.3 |
0.245 |
2 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:210 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
1550 |
82.7 |
2.9 |
0.293 |
0 |
0 |
0 |
0.000 |
14 |
|
[IOD]A:201 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
7560 |
82.6 |
0.8 |
0.858 |
0 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:211 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7560 |
77.1 |
2.7 |
0.926 |
0 |
0 |
0 |
0.000 |
16 |
|
[IOD]A:202 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
7560 |
70.3 |
-0.5 |
0.575 |
0 |
0 |
0 |
0.057 |
17 |
|
[IOD]A:203 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7560 |
68.6 |
-0.5 |
0.473 |
0 |
0 |
0 |
0.067 |
18 |
|
[GOL]A:205 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
1550 |
65.7 |
1.1 |
0.633 |
1 |
0 |
0 |
0.000 |
19 |
|
A |
6 |
3 |
7560 |
◊ |
[EDO]A:208 |
x-1/2,y+1/2,z |
3_455 |
4 |
1 |
185 |
60.6 |
0.9 |
0.376 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:208 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
7560 |
59.7 |
0.9 |
0.502 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
10 |
4 |
7560 |
◊ |
[EDO]A:209 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
183 |
59.6 |
1.8 |
0.753 |
0 |
0 |
0 |
0.000 |
22 |
|
[GOL]A:205 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
7560 |
57.6 |
-0.3 |
0.503 |
1 |
0 |
0 |
0.098 |
23 |
|
[EDO]B:101 |
4 |
1 |
185 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
1517 |
57.2 |
2.5 |
0.871 |
0 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:212 |
4 |
1 |
185 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
3 |
7560 |
54.4 |
1.4 |
0.838 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:211 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
7 |
1 |
1550 |
48.3 |
1.6 |
0.769 |
0 |
0 |
0 |
0.000 |
26 |
|
[LI]A:214 |
1 |
1 |
130 |
◊ |
A |
x,y,z |
1_555 |
11 |
7 |
7560 |
47.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.110 |
27 |
|
[IOD]A:204 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7560 |
46.4 |
-0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]C:101 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
1550 |
44.0 |
1.7 |
0.851 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:210 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
7560 |
43.2 |
0.1 |
0.511 |
1 |
0 |
0 |
0.040 |
30 |
|
[EDO]C:101 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
7560 |
43.0 |
0.6 |
0.633 |
1 |
0 |
0 |
0.000 |
31 |
|
[LI]A:213 |
1 |
1 |
130 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
7560 |
42.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.403 |
32 |
|
A |
6 |
2 |
7560 |
f |
[IOD]A:204 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
144 |
42.4 |
-0.3 |
0.605 |
0 |
0 |
0 |
0.031 |
33 |
|
[EDO]B:101 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
1 |
1517 |
42.1 |
1.4 |
0.873 |
0 |
0 |
0 |
0.000 |
34 |
|
C |
6 |
1 |
1550 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
1517 |
42.0 |
0.5 |
0.631 |
0 |
0 |
0 |
0.000 |
35 |
|
[EDO]C:101 |
2 |
1 |
185 |
cf |
[GOL]A:205 |
x,y,z |
1_555 |
4 |
1 |
218 |
41.2 |
0.9 |
0.829 |
0 |
0 |
0 |
0.000 |
36 |
|
[GOL]A:206 |
3 |
1 |
217 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
5 |
2 |
7560 |
37.9 |
0.9 |
0.808 |
2 |
0 |
0 |
0.000 |
37 |
|
[LI]A:213 |
1 |
1 |
130 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
1517 |
37.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.101 |
38 |
|
[LI]A:214 |
1 |
1 |
130 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
1517 |
37.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.126 |
39 |
|
[GOL]A:205 |
2 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
1517 |
31.4 |
0.4 |
0.693 |
0 |
0 |
0 |
0.000 |
40 |
|
[IOD]A:203 |
1 |
1 |
144 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
5 |
2 |
7560 |
31.1 |
-0.3 |
0.578 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]B:101 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7560 |
29.7 |
0.4 |
0.576 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
3 |
1 |
1550 |
f |
[EDO]A:211 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
184 |
27.9 |
0.5 |
0.699 |
1 |
0 |
0 |
0.000 |
43 |
|
[EDO]B:101 |
3 |
1 |
185 |
f |
C |
-x+1/2,y-1/2,-z |
4_545 |
2 |
2 |
1550 |
24.2 |
-0.4 |
0.425 |
0 |
0 |
0 |
0.120 |
44 |
|
[LI]A:214 |
1 |
1 |
130 |
◊ |
[LI]A:213 |
x,y,z |
1_555 |
1 |
1 |
130 |
22.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.078 |
45 |
|
A |
5 |
2 |
7560 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
1517 |
20.0 |
0.6 |
0.631 |
0 |
0 |
0 |
0.000 |
46 |
|
B |
4 |
1 |
1517 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1550 |
17.9 |
-0.9 |
0.427 |
0 |
0 |
0 |
0.000 |
47 |
|
C |
2 |
1 |
1550 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
3 |
2 |
7560 |
12.8 |
0.2 |
0.518 |
0 |
0 |
0 |
0.000 |
48 |
|
[GOL]A:205 |
2 |
1 |
218 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
1517 |
6.3 |
0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
49 |
|
[IOD]A:201 |
1 |
1 |
144 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
7560 |
5.7 |
0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
|