## |
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 |
54 |
18 |
6504 |
◊ |
A |
y,x,-z |
7_555 |
54 |
18 |
6504 |
542.9 |
1.2 |
0.613 |
5 |
0 |
0 |
0.006 |
2 |
|
A |
45 |
10 |
6504 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
45 |
10 |
6504 |
402.4 |
-0.9 |
0.417 |
1 |
8 |
0 |
0.000 |
3 |
|
A |
31 |
12 |
6504 |
x |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
31 |
9 |
6504 |
261.7 |
2.5 |
0.712 |
1 |
0 |
0 |
0.000 |
4 |
|
A |
22 |
7 |
6504 |
x |
A |
-y+1/2,x-1/2,z+3/4 |
3_545 |
21 |
7 |
6504 |
159.6 |
-0.2 |
0.471 |
1 |
0 |
0 |
0.000 |
5 |
|
[EDO]A:205 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
6504 |
110.0 |
3.7 |
0.428 |
1 |
0 |
0 |
0.000 |
6 |
|
[EDO]A:207 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
6504 |
97.2 |
3.4 |
0.402 |
1 |
0 |
0 |
0.000 |
7 |
|
[EDO]A:201 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
6504 |
84.5 |
2.4 |
0.430 |
4 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:203 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
6504 |
81.9 |
1.9 |
0.214 |
0 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:204 |
4 |
1 |
184 |
◊ |
A |
-y+1/2,x-1/2,z+3/4 |
3_545 |
10 |
5 |
6504 |
79.3 |
2.2 |
0.244 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
7 |
2 |
6504 |
◊ |
A |
y,x,-z-1 |
7_554 |
7 |
2 |
6504 |
71.4 |
-1.8 |
0.121 |
0 |
0 |
0 |
0.000 |
11 |
|
[CL]A:209 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
6504 |
70.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.130 |
12 |
|
[CL]A:210 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
6504 |
69.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.109 |
13 |
|
[CL]A:212 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
6504 |
69.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.117 |
14 |
|
[CL]A:213 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
6504 |
62.0 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.098 |
15 |
|
[EDO]A:206 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
6504 |
61.6 |
1.3 |
0.536 |
0 |
0 |
0 |
0.000 |
16 |
|
[NA]A:216 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
6504 |
61.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.123 |
17 |
|
[CL]A:211 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6504 |
60.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.093 |
18 |
|
[EDO]A:202 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
6504 |
60.6 |
1.5 |
0.671 |
0 |
0 |
0 |
0.000 |
19 |
|
A |
7 |
4 |
6504 |
f |
[EDO]A:202 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
60.1 |
1.8 |
0.768 |
0 |
0 |
0 |
0.000 |
20 |
|
[CL]A:214 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6504 |
58.6 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.087 |
21 |
|
A |
6 |
2 |
6504 |
x |
A |
x,y,z-1 |
1_554 |
12 |
4 |
6504 |
55.3 |
0.5 |
0.572 |
0 |
0 |
0 |
0.000 |
22 |
|
[CL]A:215 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6504 |
48.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.068 |
23 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6504 |
47.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.071 |
24 |
|
[CL]A:215 |
1 |
1 |
125 |
◊ |
A |
y,x,-z |
7_555 |
5 |
3 |
6504 |
44.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.060 |
25 |
|
[EDO]A:204 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6504 |
43.5 |
2.0 |
0.963 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:201 |
3 |
1 |
183 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
4 |
3 |
6504 |
38.4 |
1.0 |
0.218 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
4 |
2 |
6504 |
◊ |
[EDO]A:206 |
x,y,z-1 |
1_554 |
3 |
1 |
184 |
37.0 |
0.8 |
0.549 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
9 |
5 |
6504 |
◊ |
[CL]A:208 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
125 |
34.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[CL]A:213 |
1 |
1 |
125 |
f |
[EDO]A:202 |
x,y,z-1 |
1_554 |
3 |
1 |
185 |
30.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.030 |
30 |
|
[EDO]A:201 |
2 |
1 |
183 |
◊ |
[CL]A:208 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
125 |
22.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[CL]A:211 |
1 |
1 |
125 |
f |
[EDO]A:206 |
x,y,z |
1_555 |
1 |
1 |
184 |
21.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.021 |
32 |
|
[EDO]A:206 |
3 |
1 |
184 |
◊ |
[EDO]A:202 |
x,y,z |
1_555 |
2 |
1 |
185 |
21.4 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
33 |
|
[CL]A:214 |
1 |
1 |
125 |
◊ |
A |
y,x,-z |
7_555 |
2 |
2 |
6504 |
16.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.018 |
34 |
|
[CL]A:211 |
1 |
1 |
125 |
f |
[EDO]A:203 |
x,y,z |
1_555 |
2 |
1 |
184 |
16.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.012 |
35 |
|
[NA]A:216 |
1 |
1 |
125 |
f |
[CL]A:210 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.033 |
36 |
|
A |
1 |
1 |
6504 |
x |
A |
-x+1/2,y-1/2,-z-1/4 |
5_544 |
1 |
1 |
6504 |
14.6 |
0.7 |
0.899 |
0 |
0 |
0 |
0.000 |
37 |
|
[CL]A:215 |
1 |
1 |
125 |
◊ |
[CL]A:214 |
y,x,-z |
7_555 |
1 |
1 |
125 |
11.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.026 |
38 |
|
[EDO]A:204 |
2 |
1 |
184 |
f |
A |
-y,-x,-z+1/2 |
8_555 |
2 |
2 |
6504 |
7.6 |
0.2 |
0.781 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
2 |
1 |
6504 |
f |
[EDO]A:207 |
-y+1/2,x-1/2,z+3/4 |
3_545 |
2 |
1 |
184 |
4.1 |
0.1 |
0.803 |
0 |
0 |
0 |
0.000 |
40 |
|
[CL]A:213 |
1 |
1 |
125 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
6504 |
1.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|