## |
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 |
|
L |
181 |
55 |
11013 |
◊ |
H |
x,y,z |
1_555 |
178 |
53 |
11526 |
1644.2 |
-25.4 |
0.053 |
5 |
0 |
0 |
0.321 |
2 |
|
B |
180 |
49 |
10814 |
◊ |
A |
x,y,z |
1_555 |
175 |
50 |
11237 |
1603.3 |
-22.2 |
0.082 |
6 |
5 |
0 |
0.066 |
3 |
|
A |
58 |
17 |
11237 |
◊ |
H |
x,y,z |
1_555 |
55 |
15 |
11526 |
504.9 |
-4.7 |
0.264 |
6 |
0 |
0 |
0.036 |
4 |
|
B |
51 |
20 |
10814 |
◊ |
B |
-x-2,y,-z |
2_355 |
52 |
20 |
10814 |
456.3 |
-2.9 |
0.472 |
3 |
0 |
0 |
0.000 |
5 |
|
A |
28 |
11 |
11237 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
27 |
7 |
11526 |
278.9 |
-0.9 |
0.427 |
1 |
0 |
0 |
0.000 |
6 |
|
A |
30 |
11 |
11237 |
◊ |
L |
x,y,z |
1_555 |
28 |
8 |
11013 |
260.0 |
-1.4 |
0.583 |
1 |
0 |
0 |
0.006 |
7 |
|
[PEG]L:502 |
7 |
1 |
253 |
f |
L |
x,y,z |
1_555 |
20 |
11 |
11013 |
141.1 |
1.6 |
0.226 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
18 |
9 |
10814 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
12 |
6 |
11526 |
137.4 |
0.6 |
0.721 |
0 |
0 |
0 |
0.000 |
9 |
|
[PEG]H:303 |
7 |
1 |
253 |
◊ |
L |
x,y,z |
1_555 |
15 |
6 |
11013 |
122.3 |
2.6 |
0.341 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
12 |
4 |
10814 |
◊ |
H |
x,y,z |
1_555 |
10 |
2 |
11526 |
113.9 |
2.2 |
0.879 |
1 |
3 |
0 |
0.000 |
11 |
|
[K]B:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
10814 |
113.5 |
-72.3 |
0.000 |
0 |
0 |
0 |
0.185 |
12 |
|
[K]A:307 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11237 |
112.0 |
-78.6 |
0.000 |
0 |
0 |
0 |
0.388 |
13 |
|
[EDO]B:501 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
11 |
10814 |
111.6 |
3.6 |
0.487 |
0 |
0 |
0 |
0.000 |
14 |
|
[K]B:503 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
10814 |
107.3 |
-75.2 |
0.000 |
0 |
0 |
0 |
0.193 |
15 |
|
[EDO]A:306 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
11237 |
105.8 |
2.0 |
0.398 |
0 |
0 |
0 |
0.000 |
16 |
|
[K]A:308 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
11237 |
103.2 |
-80.2 |
0.000 |
0 |
0 |
0 |
0.396 |
17 |
|
[K]L:501 |
1 |
1 |
216 |
f |
L |
x,y,z |
1_555 |
13 |
7 |
11013 |
99.4 |
-64.1 |
0.000 |
0 |
0 |
0 |
0.743 |
18 |
|
[EDO]H:301 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
14 |
8 |
11526 |
96.6 |
2.8 |
0.509 |
1 |
0 |
0 |
0.000 |
19 |
|
[PEG]A:309 |
7 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
11237 |
95.6 |
1.4 |
0.240 |
2 |
0 |
0 |
0.000 |
20 |
|
L |
9 |
4 |
11013 |
◊ |
L |
-x,y,-z+1 |
2_556 |
9 |
4 |
11013 |
88.2 |
-0.4 |
0.578 |
0 |
0 |
0 |
0.000 |
21 |
|
[PEG]A:310 |
4 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
11237 |
84.1 |
2.6 |
0.514 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
10 |
6 |
11237 |
◊ |
A |
-x-1,y,-z |
2_455 |
10 |
6 |
11237 |
81.7 |
3.4 |
0.977 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
8 |
3 |
10814 |
◊ |
H |
-x-3/2,y-1/2,-z |
4_345 |
13 |
5 |
11526 |
80.0 |
0.5 |
0.752 |
1 |
0 |
0 |
0.000 |
24 |
|
L |
10 |
3 |
11013 |
◊ |
L |
-x-1,y,-z+1 |
2_456 |
10 |
3 |
11013 |
79.6 |
0.8 |
0.819 |
1 |
2 |
0 |
0.000 |
25 |
|
[EDO]H:302 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
14 |
7 |
11526 |
78.4 |
2.1 |
0.463 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:305 |
4 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
13 |
5 |
11013 |
73.7 |
2.1 |
0.304 |
0 |
0 |
0 |
0.000 |
27 |
|
[EDO]H:302 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
12 |
5 |
11013 |
70.7 |
1.4 |
0.267 |
0 |
0 |
0 |
0.000 |
28 |
|
[PEG]A:310 |
5 |
1 |
254 |
◊ |
L |
x,y,z |
1_555 |
7 |
4 |
11013 |
69.7 |
1.7 |
0.333 |
0 |
0 |
0 |
0.000 |
29 |
|
[PEG]H:303 |
6 |
1 |
253 |
f |
H |
x,y,z |
1_555 |
7 |
3 |
11526 |
58.1 |
1.7 |
0.282 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
11 |
6 |
10814 |
◊ |
L |
-x-1,y,-z |
2_455 |
8 |
3 |
11013 |
56.0 |
0.5 |
0.739 |
1 |
0 |
0 |
0.000 |
31 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11237 |
49.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.033 |
32 |
|
A |
4 |
3 |
11237 |
◊ |
L |
x-1/2,y-1/2,z-1 |
3_444 |
7 |
4 |
11013 |
48.6 |
-1.0 |
0.319 |
0 |
0 |
0 |
0.000 |
33 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
10814 |
47.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.016 |
34 |
|
[CL]A:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
10814 |
46.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.013 |
35 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
8 |
3 |
11013 |
45.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.054 |
36 |
|
[K]A:308 |
1 |
1 |
216 |
f |
[EDO]A:306 |
x,y,z |
1_555 |
3 |
1 |
184 |
41.9 |
-17.2 |
0.000 |
0 |
0 |
0 |
0.085 |
37 |
|
L |
7 |
3 |
11013 |
◊ |
H |
-x-1,y,-z+1 |
2_456 |
6 |
4 |
11526 |
40.1 |
-0.5 |
0.522 |
0 |
0 |
0 |
0.000 |
38 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11237 |
37.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.015 |
39 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11237 |
34.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.010 |
40 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
11237 |
31.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.017 |
41 |
|
[K]B:502 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11237 |
29.5 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.037 |
42 |
|
[EDO]A:305 |
2 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
11526 |
28.9 |
0.7 |
0.867 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]A:305 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
11237 |
28.5 |
0.8 |
0.921 |
0 |
0 |
0 |
0.000 |
44 |
|
H |
7 |
3 |
11526 |
◊ |
H |
-x-1,y,-z |
2_455 |
7 |
3 |
11526 |
26.1 |
-0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
45 |
|
[K]A:307 |
1 |
1 |
216 |
f |
[PEG]A:310 |
x,y,z |
1_555 |
2 |
1 |
254 |
21.8 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.048 |
46 |
|
[K]A:308 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
11526 |
20.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.048 |
47 |
|
H |
2 |
1 |
11526 |
◊ |
H |
-x-1,y,-z+1 |
2_456 |
2 |
1 |
11526 |
20.4 |
0.7 |
0.895 |
0 |
0 |
0 |
0.000 |
48 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
[PEG]A:309 |
x,y,z |
1_555 |
2 |
1 |
254 |
19.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.019 |
49 |
|
[EDO]H:301 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
11237 |
14.9 |
0.4 |
0.928 |
0 |
0 |
0 |
0.000 |
50 |
|
L |
1 |
1 |
11013 |
◊ |
H |
-x,y,-z+1 |
2_556 |
1 |
1 |
11526 |
1.9 |
-0.0 |
0.545 |
0 |
0 |
0 |
0.000 |
51 |
|
[PEG]A:309 |
1 |
1 |
254 |
f |
L |
x,y,z |
1_555 |
1 |
1 |
11013 |
1.3 |
0.1 |
0.465 |
0 |
0 |
0 |
0.000 |
52 |
|
[K]A:307 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
11013 |
1.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
|