| ## |
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 |
227 |
61 |
16996 |
◊ |
A |
x,y,z |
1_555 |
219 |
62 |
17250 |
2190.0 |
-34.0 |
0.014 |
41 |
0 |
0 |
1.000 |
2 |
|
B |
56 |
16 |
16996 |
◊ |
A |
x,y,z-1 |
1_554 |
57 |
16 |
17250 |
529.6 |
-1.9 |
0.661 |
3 |
5 |
0 |
0.000 |
3 |
|
A |
36 |
12 |
17250 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
38 |
12 |
17250 |
334.0 |
-0.6 |
0.652 |
8 |
2 |
0 |
0.000 |
4 |
|
B |
33 |
10 |
16996 |
◊ |
A |
x-1,y,z-1 |
1_454 |
28 |
7 |
17250 |
271.6 |
-1.3 |
0.508 |
3 |
0 |
0 |
0.000 |
5 |
|
A |
19 |
5 |
17250 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
6 |
16996 |
172.9 |
-1.0 |
0.381 |
1 |
1 |
0 |
0.000 |
6 |
|
[PEG]B:1106 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
29 |
11 |
16996 |
166.4 |
3.0 |
0.418 |
1 |
0 |
0 |
0.000 |
7 |
|
[PEG]B:1103 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
25 |
14 |
16996 |
162.9 |
4.5 |
0.534 |
3 |
0 |
0 |
0.000 |
8 |
|
[PEG]B:1102 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
30 |
17 |
16996 |
161.8 |
4.4 |
0.558 |
2 |
0 |
0 |
0.000 |
9 |
|
[PEG]B:1105 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
16996 |
115.7 |
1.4 |
0.212 |
3 |
0 |
0 |
0.000 |
10 |
|
[EDO]A:1016 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
17250 |
113.8 |
3.0 |
0.471 |
0 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:1020 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
17250 |
111.3 |
3.2 |
0.452 |
1 |
0 |
0 |
0.000 |
12 |
|
[PEG]B:1104 |
6 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
16996 |
106.3 |
2.1 |
0.329 |
3 |
0 |
0 |
0.000 |
13 |
|
[PEG]A:1101 |
7 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
17250 |
105.3 |
2.2 |
0.303 |
1 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:1010 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
17250 |
100.4 |
2.8 |
0.485 |
3 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:1001 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
16996 |
99.2 |
2.7 |
0.472 |
4 |
0 |
0 |
0.000 |
16 |
|
[EDO]B:1018 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
16996 |
91.0 |
2.5 |
0.415 |
3 |
0 |
0 |
0.000 |
17 |
|
[EDO]B:1012 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
16996 |
90.7 |
3.0 |
0.315 |
3 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:1002 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
17250 |
87.9 |
3.0 |
0.316 |
2 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:1004 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17250 |
83.5 |
2.1 |
0.258 |
2 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:1015 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
16996 |
82.1 |
2.2 |
0.290 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:1017 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
17250 |
77.1 |
1.1 |
0.580 |
2 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:1005 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
17250 |
76.9 |
2.5 |
0.324 |
2 |
0 |
0 |
0.000 |
23 |
|
[EDO]B:1013 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
16996 |
76.4 |
2.5 |
0.327 |
2 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:1011 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17250 |
75.7 |
1.8 |
0.849 |
2 |
0 |
0 |
0.000 |
25 |
|
A |
12 |
5 |
17250 |
f |
[PEG]A:1101 |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
257 |
74.1 |
0.7 |
0.313 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:1014 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
16996 |
73.1 |
1.1 |
0.661 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]B:1007 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
16996 |
71.6 |
1.7 |
0.238 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:1019 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
17250 |
71.0 |
2.1 |
0.286 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]B:1008 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
16996 |
68.1 |
2.2 |
0.941 |
4 |
0 |
0 |
0.000 |
30 |
|
A |
10 |
4 |
17250 |
◊ |
[EDO]A:1006 |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
184 |
66.0 |
2.6 |
0.310 |
1 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:1006 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
17250 |
64.2 |
1.0 |
0.706 |
2 |
0 |
0 |
0.000 |
32 |
|
[EDO]B:1009 |
4 |
1 |
184 |
◊ |
A |
x,y,z-1 |
1_554 |
14 |
3 |
17250 |
64.1 |
1.5 |
0.250 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]B:1009 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
16996 |
59.5 |
1.5 |
0.231 |
0 |
0 |
0 |
0.000 |
34 |
|
[EDO]B:1008 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
17250 |
57.7 |
1.7 |
0.241 |
0 |
0 |
0 |
0.000 |
35 |
|
[PEG]B:1106 |
5 |
1 |
259 |
f |
[EDO]B:1014 |
x,y,z |
1_555 |
4 |
1 |
184 |
44.1 |
2.0 |
0.321 |
1 |
0 |
0 |
0.000 |
36 |
|
B |
6 |
3 |
16996 |
f |
[EDO]A:1016 |
x-1,y,z-1 |
1_454 |
3 |
1 |
185 |
41.1 |
1.5 |
0.874 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
2 |
1 |
17250 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
16996 |
38.0 |
-1.2 |
0.077 |
0 |
0 |
0 |
0.000 |
38 |
|
[PEG]B:1104 |
4 |
1 |
250 |
f |
[EDO]B:1015 |
x,y,z |
1_555 |
3 |
1 |
183 |
31.2 |
1.9 |
0.366 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:1019 |
3 |
1 |
185 |
f |
[EDO]A:1010 |
x,y,z |
1_555 |
3 |
1 |
185 |
30.8 |
1.2 |
1.000 |
1 |
0 |
0 |
0.000 |
40 |
|
A |
3 |
1 |
17250 |
◊ |
[EDO]A:1017 |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
185 |
30.2 |
0.3 |
0.456 |
0 |
0 |
0 |
0.000 |
41 |
|
[PEG]A:1101 |
5 |
1 |
257 |
◊ |
[EDO]A:1006 |
x,y,z |
1_555 |
3 |
1 |
184 |
25.2 |
0.9 |
0.218 |
0 |
0 |
0 |
0.000 |
42 |
|
[PEG]B:1104 |
3 |
1 |
250 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
1 |
16996 |
24.2 |
0.9 |
0.375 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]B:1009 |
3 |
1 |
184 |
f |
[EDO]A:1019 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
23.8 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
44 |
|
B |
5 |
3 |
16996 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
3 |
16996 |
23.5 |
0.7 |
0.762 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]B:1009 |
2 |
1 |
184 |
f |
[EDO]A:1010 |
x,y,z-1 |
1_554 |
2 |
1 |
185 |
20.3 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
46 |
|
[PEG]B:1105 |
2 |
1 |
261 |
f |
[EDO]B:1015 |
x,y,z |
1_555 |
3 |
1 |
183 |
16.3 |
0.7 |
0.429 |
0 |
0 |
0 |
0.000 |
47 |
|
B |
1 |
1 |
16996 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
16996 |
7.9 |
0.0 |
0.451 |
0 |
0 |
0 |
0.000 |
48 |
|
B |
1 |
1 |
16996 |
f |
[EDO]A:1019 |
x,y,z-1 |
1_554 |
2 |
1 |
185 |
7.9 |
0.3 |
0.931 |
0 |
0 |
0 |
0.000 |
49 |
|
B |
2 |
1 |
16996 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
17250 |
6.6 |
0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
|