| ## |
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 |
45 |
13 |
7590 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
45 |
13 |
7590 |
420.2 |
0.3 |
0.611 |
2 |
0 |
0 |
0.000 |
2 |
|
C |
41 |
5 |
1556 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
7590 |
390.2 |
-2.5 |
0.602 |
6 |
0 |
0 |
0.018 |
3 |
|
A |
43 |
12 |
7590 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
38 |
11 |
7590 |
331.9 |
2.2 |
0.710 |
1 |
4 |
0 |
0.000 |
4 |
|
b |
28 |
2 |
697 |
◊ |
A |
x,y,z |
1_555 |
39 |
15 |
7590 |
251.4 |
-6.0 |
0.281 |
4 |
0 |
0 |
0.035 |
5 |
|
B |
23 |
3 |
1031 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
7590 |
219.8 |
-5.0 |
0.323 |
4 |
0 |
0 |
0.035 |
6 |
|
B |
19 |
4 |
1031 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
1556 |
174.1 |
-2.6 |
0.518 |
8 |
0 |
0 |
0.069 |
7 |
|
[PGE]A:216 |
10 |
1 |
333 |
f |
A |
x,y,z |
1_555 |
23 |
5 |
7590 |
152.7 |
2.6 |
0.142 |
3 |
0 |
0 |
0.000 |
8 |
|
b |
16 |
2 |
697 |
◊ |
C |
x,y,z |
1_555 |
17 |
3 |
1556 |
127.5 |
0.3 |
0.704 |
6 |
0 |
0 |
0.007 |
9 |
|
[GOL]A:215 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
7590 |
122.1 |
-0.3 |
0.572 |
2 |
0 |
0 |
0.006 |
10 |
|
A |
12 |
3 |
7590 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
13 |
4 |
7590 |
108.1 |
-0.7 |
0.447 |
0 |
0 |
0 |
0.000 |
11 |
|
[GOL]A:214 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
7590 |
106.8 |
-0.9 |
0.395 |
1 |
0 |
0 |
0.007 |
12 |
|
[GOL]A:213 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
7590 |
99.4 |
-0.8 |
0.387 |
1 |
0 |
0 |
0.007 |
13 |
|
[EDO]A:211 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
7590 |
99.0 |
3.5 |
0.666 |
3 |
0 |
0 |
0.000 |
14 |
|
[PGE]A:216 |
8 |
1 |
333 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
1031 |
97.4 |
0.5 |
0.145 |
1 |
0 |
0 |
0.000 |
15 |
|
C |
13 |
1 |
1556 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
1 |
1556 |
92.9 |
1.9 |
0.738 |
0 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:208 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
7590 |
91.5 |
2.5 |
0.267 |
2 |
0 |
0 |
0.000 |
17 |
|
[K]A:203 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
7590 |
90.5 |
-70.7 |
0.000 |
0 |
0 |
0 |
0.361 |
18 |
|
b |
12 |
1 |
697 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
1 |
1031 |
89.0 |
3.3 |
0.866 |
0 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:210 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
7590 |
87.4 |
1.5 |
0.197 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:209 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
14 |
3 |
1556 |
85.6 |
2.5 |
0.282 |
1 |
0 |
0 |
0.000 |
21 |
|
[GOL]A:212 |
6 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
7590 |
84.5 |
0.5 |
0.642 |
1 |
0 |
0 |
0.000 |
22 |
|
[IOD]A:204 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
7590 |
80.7 |
0.1 |
0.747 |
0 |
0 |
0 |
0.000 |
23 |
|
[K]C:101 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
1556 |
80.6 |
-50.4 |
0.000 |
0 |
0 |
0 |
0.562 |
24 |
|
[K]A:217 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
7590 |
79.8 |
-48.5 |
0.000 |
0 |
0 |
0 |
0.248 |
25 |
|
[GOL]C:102 |
4 |
1 |
214 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
1556 |
71.4 |
1.5 |
0.744 |
2 |
0 |
0 |
0.000 |
26 |
|
[IOD]A:205 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
7590 |
70.3 |
-0.5 |
0.579 |
0 |
0 |
0 |
0.002 |
27 |
|
b |
15 |
1 |
697 |
◊ |
B |
x,y,z |
1_555 |
12 |
1 |
1031 |
69.8 |
-0.3 |
0.657 |
1 |
0 |
0 |
0.003 |
28 |
|
[IOD]A:206 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7590 |
68.0 |
-0.5 |
0.494 |
0 |
0 |
0 |
0.003 |
29 |
|
[K]C:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
1031 |
62.6 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.369 |
30 |
|
[GOL]A:213 |
6 |
1 |
216 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
7590 |
59.6 |
0.4 |
0.667 |
1 |
0 |
0 |
0.000 |
31 |
|
[GOL]C:102 |
5 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
7590 |
57.5 |
-0.1 |
0.639 |
3 |
0 |
0 |
0.007 |
32 |
|
[GOL]A:212 |
4 |
1 |
217 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
2 |
7590 |
50.7 |
0.0 |
0.602 |
1 |
0 |
0 |
0.002 |
33 |
|
[K]A:217 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
1031 |
49.7 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.134 |
34 |
|
[K]A:203 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
8 |
2 |
697 |
48.4 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.121 |
35 |
|
[IOD]A:207 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
7590 |
46.7 |
-0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
8 |
1 |
1556 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
1031 |
46.0 |
0.7 |
0.658 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:209 |
3 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
7590 |
44.5 |
1.0 |
0.607 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
6 |
2 |
7590 |
f |
[IOD]A:207 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
144 |
43.0 |
-0.3 |
0.586 |
0 |
0 |
0 |
0.002 |
39 |
|
[GOL]A:215 |
4 |
1 |
220 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
4 |
1 |
7590 |
36.1 |
0.7 |
0.724 |
2 |
0 |
0 |
0.000 |
40 |
|
[GOL]C:102 |
3 |
1 |
214 |
◊ |
b |
x,y,z |
1_555 |
6 |
2 |
697 |
35.2 |
-0.4 |
0.525 |
0 |
0 |
0 |
0.002 |
41 |
|
[GOL]A:215 |
3 |
1 |
220 |
cf |
[EDO]A:211 |
x,y,z |
1_555 |
2 |
1 |
186 |
34.8 |
0.8 |
0.866 |
0 |
0 |
0 |
0.000 |
42 |
|
[GOL]A:213 |
3 |
1 |
216 |
◊ |
[GOL]A:212 |
x,y,z |
1_555 |
4 |
1 |
217 |
33.9 |
0.5 |
0.655 |
1 |
0 |
0 |
0.000 |
43 |
|
[K]A:217 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
5 |
1 |
697 |
33.4 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.077 |
44 |
|
[PGE]A:216 |
2 |
1 |
333 |
f |
[IOD]A:205 |
x,y,z |
1_555 |
1 |
1 |
144 |
31.3 |
0.4 |
0.436 |
0 |
0 |
0 |
0.000 |
45 |
|
[IOD]A:206 |
1 |
1 |
144 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
7590 |
28.4 |
-0.3 |
0.516 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
3 |
1 |
7590 |
◊ |
[K]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
27.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.056 |
47 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
7590 |
27.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.018 |
48 |
|
[GOL]A:212 |
3 |
1 |
217 |
◊ |
[IOD]A:204 |
x,y,z |
1_555 |
1 |
1 |
144 |
24.8 |
-0.2 |
0.677 |
0 |
0 |
0 |
0.000 |
49 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
7590 |
24.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.022 |
50 |
|
[MG]A:201 |
1 |
1 |
98 |
◊ |
b |
x,y,z |
1_555 |
5 |
2 |
697 |
21.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.015 |
51 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
b |
x,y,z |
1_555 |
4 |
1 |
697 |
18.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.012 |
52 |
|
[K]A:203 |
1 |
1 |
216 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.053 |
53 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
1031 |
16.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
54 |
|
b |
3 |
1 |
697 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1556 |
14.9 |
-0.8 |
0.426 |
0 |
0 |
0 |
0.003 |
55 |
|
[K]A:217 |
1 |
1 |
216 |
f |
[MG]A:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.039 |
56 |
|
[K]A:217 |
1 |
1 |
216 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.035 |
57 |
|
A |
3 |
2 |
7590 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
1031 |
10.5 |
0.4 |
0.629 |
0 |
0 |
0 |
0.000 |
58 |
|
[GOL]A:214 |
2 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1556 |
9.7 |
-0.5 |
0.325 |
0 |
0 |
0 |
0.002 |
59 |
|
[K]A:217 |
1 |
1 |
216 |
f |
[K]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
7.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.040 |
60 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.008 |
61 |
|
C |
1 |
1 |
1556 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
7590 |
7.5 |
0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
62 |
|
[GOL]C:102 |
2 |
1 |
214 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
1031 |
7.3 |
-0.2 |
0.494 |
0 |
0 |
0 |
0.000 |
63 |
|
[PGE]A:216 |
3 |
1 |
333 |
f |
[K]A:217 |
x,y,z |
1_555 |
1 |
1 |
216 |
5.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.010 |
64 |
|
[IOD]A:204 |
1 |
1 |
144 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
7590 |
1.7 |
0.0 |
0.826 |
0 |
0 |
0 |
0.000 |
|