## |
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 |
48 |
13 |
7689 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
48 |
13 |
7689 |
426.1 |
-0.4 |
0.575 |
2 |
0 |
0 |
0.002 |
2 |
|
C |
43 |
5 |
1549 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
7689 |
399.5 |
-3.1 |
0.576 |
4 |
0 |
0 |
0.017 |
3 |
|
A |
40 |
12 |
7689 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
36 |
10 |
7689 |
314.6 |
0.4 |
0.558 |
1 |
3 |
0 |
0.000 |
4 |
|
b |
29 |
2 |
696 |
◊ |
A |
x,y,z |
1_555 |
36 |
15 |
7689 |
249.8 |
-6.1 |
0.279 |
5 |
0 |
0 |
0.037 |
5 |
|
B |
21 |
3 |
1042 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
7689 |
226.2 |
-5.1 |
0.309 |
3 |
0 |
0 |
0.032 |
6 |
|
B |
19 |
4 |
1042 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
1549 |
180.7 |
-2.3 |
0.534 |
7 |
0 |
0 |
0.065 |
7 |
|
A |
18 |
4 |
7689 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
17 |
5 |
7689 |
145.9 |
-0.5 |
0.508 |
1 |
1 |
0 |
0.000 |
8 |
|
b |
16 |
2 |
696 |
◊ |
C |
x,y,z |
1_555 |
17 |
3 |
1549 |
125.2 |
0.5 |
0.719 |
6 |
0 |
0 |
0.006 |
9 |
|
[EDO]A:211 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
7689 |
109.3 |
2.9 |
0.417 |
1 |
0 |
0 |
0.000 |
10 |
|
[GOL]A:210 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
7689 |
107.1 |
-0.8 |
0.432 |
2 |
0 |
0 |
0.009 |
11 |
|
[EDO]A:212 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
7689 |
97.2 |
1.9 |
0.305 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
13 |
1 |
1549 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
12 |
1 |
1549 |
93.7 |
1.8 |
0.734 |
0 |
0 |
0 |
0.000 |
13 |
|
b |
13 |
1 |
696 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
1 |
1042 |
91.2 |
3.2 |
0.863 |
0 |
0 |
0 |
0.000 |
14 |
|
[K]A:203 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
7689 |
88.8 |
-68.5 |
0.000 |
0 |
0 |
0 |
0.343 |
15 |
|
[EDO]A:213 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
7689 |
87.8 |
2.3 |
0.240 |
1 |
0 |
0 |
0.000 |
16 |
|
[IOD]A:205 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
7689 |
82.5 |
0.2 |
0.754 |
0 |
0 |
0 |
0.000 |
17 |
|
[K]A:204 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
7689 |
82.1 |
-50.2 |
0.000 |
0 |
0 |
0 |
0.252 |
18 |
|
[K]C:101 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
1549 |
77.1 |
-46.6 |
0.000 |
0 |
0 |
0 |
0.890 |
19 |
|
[EDO]A:214 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
7689 |
75.5 |
2.6 |
0.319 |
2 |
0 |
0 |
0.000 |
20 |
|
b |
15 |
1 |
696 |
◊ |
B |
x,y,z |
1_555 |
12 |
1 |
1042 |
71.5 |
-0.3 |
0.659 |
1 |
0 |
0 |
0.003 |
21 |
|
[IOD]A:206 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
7689 |
70.8 |
-0.5 |
0.583 |
0 |
0 |
0 |
0.002 |
22 |
|
[GOL]A:209 |
5 |
1 |
212 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
1549 |
70.7 |
0.7 |
0.629 |
0 |
0 |
0 |
0.000 |
23 |
|
[IOD]A:207 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7689 |
69.3 |
-0.5 |
0.486 |
0 |
0 |
0 |
0.003 |
24 |
|
[GOL]A:209 |
5 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7689 |
62.9 |
-0.3 |
0.581 |
2 |
0 |
0 |
0.006 |
25 |
|
[K]C:101 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
1042 |
60.4 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.376 |
26 |
|
[IOD]A:208 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
7689 |
53.5 |
-0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:212 |
4 |
1 |
183 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
3 |
7689 |
52.3 |
1.2 |
0.860 |
2 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:214 |
3 |
1 |
184 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
4 |
7689 |
49.9 |
0.6 |
0.600 |
0 |
0 |
0 |
0.000 |
29 |
|
[K]A:203 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
8 |
2 |
696 |
46.6 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.112 |
30 |
|
[K]A:204 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
1042 |
45.2 |
-22.0 |
0.000 |
0 |
0 |
0 |
0.110 |
31 |
|
A |
6 |
2 |
7689 |
f |
[IOD]A:208 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
144 |
43.4 |
-0.3 |
0.587 |
0 |
0 |
0 |
0.002 |
32 |
|
C |
6 |
1 |
1549 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
1042 |
42.4 |
0.5 |
0.616 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
5 |
2 |
7689 |
◊ |
[K]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
39.0 |
-17.3 |
0.000 |
0 |
0 |
0 |
0.074 |
34 |
|
[K]A:204 |
1 |
1 |
216 |
◊ |
b |
x,y,z |
1_555 |
5 |
1 |
696 |
35.0 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.078 |
35 |
|
[IOD]A:207 |
1 |
1 |
144 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
5 |
2 |
7689 |
32.6 |
-0.3 |
0.585 |
0 |
0 |
0 |
0.001 |
36 |
|
[GOL]A:209 |
3 |
1 |
212 |
◊ |
b |
x,y,z |
1_555 |
7 |
2 |
696 |
32.1 |
-0.2 |
0.597 |
0 |
0 |
0 |
0.001 |
37 |
|
[EDO]A:211 |
2 |
1 |
187 |
f |
A |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
7689 |
29.3 |
0.7 |
0.890 |
1 |
0 |
0 |
0.000 |
38 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7689 |
27.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.018 |
39 |
|
A |
5 |
3 |
7689 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
1042 |
27.2 |
0.8 |
0.612 |
0 |
0 |
0 |
0.000 |
40 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7689 |
25.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.022 |
41 |
|
[MG]A:201 |
1 |
1 |
98 |
◊ |
b |
x,y,z |
1_555 |
5 |
2 |
696 |
20.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.014 |
42 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
b |
x,y,z |
1_555 |
4 |
1 |
696 |
18.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.012 |
43 |
|
b |
4 |
1 |
696 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1549 |
18.2 |
-1.0 |
0.425 |
0 |
0 |
0 |
0.019 |
44 |
|
[K]A:203 |
1 |
1 |
216 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.053 |
45 |
|
[MG]A:202 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
1042 |
16.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.005 |
46 |
|
[K]A:204 |
1 |
1 |
216 |
f |
[K]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
13.9 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.070 |
47 |
|
[K]A:204 |
1 |
1 |
216 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.041 |
48 |
|
[K]A:204 |
1 |
1 |
216 |
f |
[MG]A:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.036 |
49 |
|
C |
1 |
1 |
1549 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
7689 |
9.8 |
0.2 |
0.422 |
0 |
0 |
0 |
0.000 |
50 |
|
[GOL]A:210 |
2 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1549 |
9.1 |
-0.4 |
0.365 |
0 |
0 |
0 |
0.001 |
51 |
|
b |
4 |
1 |
696 |
◊ |
[K]C:101 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
216 |
8.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.091 |
52 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
[MG]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
53 |
|
[GOL]A:209 |
1 |
1 |
212 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
1042 |
6.1 |
-0.0 |
0.498 |
0 |
0 |
0 |
0.000 |
54 |
|
[IOD]A:205 |
1 |
1 |
144 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
2 |
7689 |
2.3 |
-0.0 |
0.759 |
0 |
0 |
0 |
0.000 |
55 |
|
[EDO]A:214 |
1 |
1 |
184 |
◊ |
[IOD]A:205 |
x,y,z |
1_555 |
1 |
1 |
144 |
1.8 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
|
[EDO]A:214 |
1 |
1 |
184 |
f |
[EDO]A:213 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
185 |
0.7 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|