| ## |
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 |
|
B |
191 |
51 |
14467 |
◊ |
B |
-x,y,-z |
2_555 |
192 |
51 |
14467 |
1723.7 |
-12.2 |
0.224 |
24 |
10 |
0 |
0.170 |
2 |
|
B |
146 |
38 |
14467 |
◊ |
A |
x,y,z |
1_555 |
137 |
41 |
11432 |
1366.6 |
-10.1 |
0.234 |
23 |
2 |
0 |
0.023 |
3 |
|
B |
59 |
14 |
14467 |
◊ |
B |
-x,y,-z+1 |
2_556 |
58 |
14 |
14467 |
514.7 |
-0.9 |
0.632 |
10 |
4 |
0 |
0.000 |
4 |
|
[F9F]A:308 |
22 |
1 |
506 |
f |
A |
x,y,z |
1_555 |
54 |
23 |
11432 |
343.9 |
-2.4 |
0.421 |
8 |
0 |
0 |
0.049 |
5 |
|
A |
31 |
10 |
11432 |
x |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
27 |
9 |
11432 |
266.0 |
-1.2 |
0.556 |
3 |
4 |
0 |
0.000 |
6 |
|
B |
21 |
8 |
14467 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
16 |
6 |
11432 |
144.5 |
0.6 |
0.735 |
2 |
0 |
0 |
0.000 |
7 |
|
[DMS]A:305 |
4 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
11432 |
133.4 |
3.3 |
0.623 |
0 |
0 |
0 |
0.000 |
8 |
|
[DMS]A:303 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
11432 |
118.9 |
1.4 |
0.409 |
0 |
0 |
0 |
0.000 |
9 |
|
[DMS]A:302 |
4 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
11432 |
117.6 |
2.1 |
0.530 |
0 |
0 |
0 |
0.000 |
10 |
|
[CS]B:402 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
14467 |
115.9 |
-43.2 |
0.000 |
0 |
0 |
0 |
0.603 |
11 |
|
[DMS]B:409 |
4 |
1 |
203 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
14467 |
113.7 |
1.9 |
0.516 |
1 |
0 |
0 |
0.000 |
12 |
|
[CS]B:404 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
14467 |
111.1 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.420 |
13 |
|
[DMS]B:408 |
4 |
1 |
203 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
14467 |
107.4 |
1.3 |
0.315 |
0 |
0 |
0 |
0.000 |
14 |
|
[PEG]B:427 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
14467 |
105.5 |
1.5 |
0.263 |
2 |
0 |
0 |
0.000 |
15 |
|
[DMS]B:410 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
14467 |
103.6 |
2.8 |
0.511 |
0 |
0 |
0 |
0.000 |
16 |
|
[DMS]A:304 |
4 |
1 |
204 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
11432 |
102.9 |
2.3 |
0.441 |
1 |
0 |
0 |
0.000 |
17 |
|
[PEG]B:427 |
7 |
1 |
258 |
◊ |
B |
-x,y,-z |
2_555 |
16 |
5 |
14467 |
102.7 |
2.2 |
0.281 |
0 |
0 |
0 |
0.000 |
18 |
|
[DMS]B:414 |
4 |
1 |
205 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
14467 |
101.7 |
2.3 |
0.472 |
0 |
0 |
0 |
0.000 |
19 |
|
[PEG]B:428 |
7 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
14467 |
97.8 |
2.0 |
0.259 |
2 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:425 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
14467 |
97.1 |
3.1 |
0.509 |
2 |
0 |
0 |
0.000 |
21 |
|
[DMS]B:407 |
4 |
1 |
205 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
14467 |
97.0 |
2.7 |
0.516 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:424 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
14467 |
95.5 |
2.5 |
0.263 |
3 |
0 |
0 |
0.000 |
23 |
|
[EDO]B:423 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14467 |
92.5 |
2.4 |
0.252 |
1 |
0 |
0 |
0.000 |
24 |
|
[DMS]B:412 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
14467 |
92.2 |
0.5 |
0.290 |
1 |
0 |
0 |
0.000 |
25 |
|
[EDO]B:420 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14467 |
89.8 |
1.2 |
0.149 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:421 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
14467 |
85.1 |
2.2 |
0.270 |
3 |
0 |
0 |
0.000 |
27 |
|
[DMS]B:405 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
14467 |
84.2 |
1.0 |
0.378 |
2 |
0 |
0 |
0.000 |
28 |
|
[EDO]B:419 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
14467 |
81.9 |
1.7 |
0.757 |
2 |
0 |
0 |
0.000 |
29 |
|
[CS]B:403 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
16 |
6 |
14467 |
79.0 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.197 |
30 |
|
[EDO]A:309 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11432 |
78.6 |
2.4 |
0.313 |
4 |
0 |
0 |
0.000 |
31 |
|
[DMS]A:301 |
3 |
1 |
205 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
11432 |
71.0 |
1.5 |
0.294 |
0 |
0 |
0 |
0.000 |
32 |
|
[DMS]B:415 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
14467 |
69.8 |
-0.1 |
0.336 |
0 |
0 |
0 |
0.000 |
33 |
|
[CL]A:307 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
11432 |
66.6 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.078 |
34 |
|
[DMS]B:406 |
3 |
1 |
207 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
14467 |
65.0 |
1.8 |
0.390 |
0 |
0 |
0 |
0.000 |
35 |
|
[DMS]B:406 |
4 |
1 |
207 |
◊ |
B |
-x,y,-z |
2_555 |
14 |
5 |
14467 |
64.3 |
-0.1 |
0.341 |
0 |
0 |
0 |
0.000 |
36 |
|
[DMS]B:411 |
3 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14467 |
61.5 |
0.7 |
0.381 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]B:422 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14467 |
58.9 |
0.9 |
0.686 |
2 |
0 |
0 |
0.000 |
38 |
|
B |
9 |
4 |
14467 |
f |
[DMS]A:304 |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
204 |
54.7 |
0.5 |
0.338 |
0 |
0 |
0 |
0.000 |
39 |
|
[DMS]B:413 |
3 |
1 |
205 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
14467 |
53.8 |
0.6 |
0.280 |
0 |
0 |
0 |
0.000 |
40 |
|
[DMS]A:301 |
3 |
1 |
205 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
14467 |
52.1 |
1.4 |
0.343 |
0 |
0 |
0 |
0.000 |
41 |
|
[CL]B:416 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
14467 |
51.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.087 |
42 |
|
[CS]B:403 |
1 |
1 |
216 |
fx |
[DMS]B:406 |
x,y,z |
1_555 |
3 |
1 |
207 |
48.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.107 |
43 |
|
[CL]B:417 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
14467 |
48.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.081 |
44 |
|
[DMS]B:414 |
3 |
1 |
205 |
f |
B |
-x,y,-z |
2_555 |
5 |
1 |
14467 |
44.6 |
0.9 |
0.365 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]B:422 |
3 |
1 |
185 |
◊ |
B |
-x,y,-z+1 |
2_556 |
8 |
5 |
14467 |
44.6 |
1.7 |
0.863 |
0 |
0 |
0 |
0.000 |
46 |
|
[PEG]B:428 |
4 |
1 |
250 |
f |
[DMS]B:405 |
x,y,z |
1_555 |
3 |
1 |
206 |
44.0 |
2.1 |
0.190 |
0 |
0 |
0 |
0.000 |
47 |
|
[DMS]B:411 |
1 |
1 |
207 |
◊ |
B |
-x,y,-z+1 |
2_556 |
8 |
3 |
14467 |
42.5 |
1.2 |
0.597 |
0 |
0 |
0 |
0.000 |
48 |
|
[CL]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11432 |
41.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.041 |
49 |
|
[EDO]A:309 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14467 |
32.0 |
1.0 |
0.594 |
0 |
0 |
0 |
0.000 |
50 |
|
[DMS]B:405 |
3 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11432 |
31.9 |
0.4 |
0.343 |
0 |
0 |
0 |
0.000 |
51 |
|
[F9F]A:308 |
1 |
1 |
506 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14467 |
27.4 |
0.3 |
0.508 |
0 |
0 |
0 |
0.000 |
52 |
|
[PEG]B:428 |
3 |
1 |
250 |
◊ |
[EDO]A:309 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.0 |
1.4 |
0.415 |
0 |
0 |
0 |
0.000 |
53 |
|
[EDO]A:309 |
2 |
1 |
183 |
◊ |
[DMS]B:405 |
x,y,z |
1_555 |
2 |
1 |
206 |
23.7 |
0.9 |
0.661 |
0 |
0 |
0 |
0.000 |
54 |
|
[DMS]B:406 |
1 |
1 |
207 |
f |
[DMS]B:406 |
-x,y,-z |
2_555 |
1 |
1 |
207 |
20.4 |
1.3 |
0.500 |
0 |
0 |
0 |
0.000 |
55 |
|
[CL]B:416 |
1 |
1 |
125 |
f |
[DMS]B:415 |
x,y,z |
1_555 |
3 |
1 |
206 |
19.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.022 |
56 |
|
[EDO]B:425 |
2 |
1 |
185 |
f |
[DMS]B:412 |
x,y,z |
1_555 |
2 |
1 |
208 |
19.3 |
1.1 |
0.661 |
0 |
0 |
0 |
0.000 |
57 |
|
[EDO]B:421 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
11432 |
16.1 |
-0.1 |
0.504 |
0 |
0 |
0 |
0.000 |
58 |
|
B |
2 |
2 |
14467 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
2 |
11432 |
12.5 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
59 |
|
[DMS]B:413 |
1 |
1 |
205 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
11432 |
10.1 |
0.4 |
0.652 |
0 |
0 |
0 |
0.000 |
60 |
|
[DMS]B:409 |
2 |
1 |
203 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
14467 |
8.9 |
0.4 |
0.571 |
0 |
0 |
0 |
0.000 |
61 |
|
[EDO]B:424 |
1 |
1 |
186 |
f |
[EDO]B:421 |
x,y,z |
1_555 |
2 |
1 |
184 |
8.8 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
|
[CL]B:417 |
1 |
1 |
125 |
f |
[DMS]B:409 |
x,y,z |
1_555 |
2 |
1 |
203 |
3.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
63 |
|
[DMS]B:412 |
1 |
1 |
208 |
◊ |
[DMS]B:411 |
-x,y,-z+1 |
2_556 |
1 |
1 |
207 |
2.0 |
0.1 |
0.250 |
0 |
0 |
0 |
0.000 |
64 |
|
[EDO]B:419 |
1 |
1 |
184 |
f |
[DMS]A:301 |
x,y,z |
1_555 |
1 |
1 |
205 |
0.8 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|