## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
C |
116 |
31 |
19371 |
◊ |
A |
x,y,z |
1_555 |
114 |
30 |
19057 |
1143.9 |
-22.5 |
0.246 |
12 |
5 |
0 |
1.000 |
2 |
|
C |
109 |
29 |
19371 |
◊ |
B |
x,y,z |
1_555 |
119 |
33 |
19393 |
1140.3 |
-20.7 |
0.334 |
9 |
5 |
0 |
1.000 |
3 |
|
B |
108 |
27 |
19393 |
◊ |
A |
x,y,z |
1_555 |
111 |
30 |
19057 |
1120.0 |
-20.9 |
0.288 |
10 |
5 |
0 |
1.000 |
Average: |
1134.7 |
-21.4 |
0.289 |
10 |
5 |
0 |
1.000 |
2 |
4 |
|
B |
74 |
29 |
19393 |
◊ |
B |
x-y,-y,-z+1/3 |
5_555 |
74 |
29 |
19393 |
721.8 |
-11.7 |
0.517 |
2 |
0 |
0 |
1.000 |
5 |
|
C |
68 |
24 |
19371 |
◊ |
A |
x-y,-y,-z+1/3 |
5_555 |
70 |
25 |
19057 |
683.5 |
-12.7 |
0.373 |
0 |
0 |
0 |
1.000 |
Average: |
702.7 |
-12.2 |
0.445 |
1 |
0 |
0 |
1.000 |
3 |
6 |
|
[BOG]A:515 |
17 |
1 |
515 |
◊ |
A |
x,y,z |
1_555 |
31 |
11 |
19057 |
251.6 |
4.7 |
0.491 |
0 |
0 |
0 |
0.000 |
4 |
7 |
|
A |
30 |
8 |
19057 |
◊ |
C |
y-1,x,-z |
4_455 |
20 |
6 |
19371 |
235.0 |
-1.5 |
0.735 |
4 |
0 |
0 |
0.000 |
5 |
8 |
|
[PGE]A:506 |
10 |
1 |
321 |
f |
A |
x,y,z |
1_555 |
31 |
12 |
19057 |
192.3 |
4.2 |
0.444 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[PGE]B:501 |
10 |
1 |
313 |
f |
B |
x,y,z |
1_555 |
33 |
12 |
19393 |
183.9 |
5.1 |
0.475 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
[PGE]C:502 |
10 |
1 |
337 |
◊ |
C |
x,y,z |
1_555 |
23 |
9 |
19371 |
175.7 |
2.2 |
0.216 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[PGE]A:502 |
10 |
1 |
339 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
19057 |
173.5 |
3.1 |
0.272 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
[BOG]B:510 |
14 |
1 |
508 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
19393 |
171.4 |
2.5 |
0.347 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[PGE]A:501 |
9 |
1 |
331 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
19057 |
169.6 |
3.0 |
0.312 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[PGE]B:502 |
10 |
1 |
339 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
19393 |
166.8 |
2.4 |
0.198 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[PGE]A:503 |
9 |
1 |
337 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
19057 |
165.9 |
1.9 |
0.227 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[PEG]C:509 |
7 |
1 |
261 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
19371 |
163.9 |
2.2 |
0.420 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[PEG]B:507 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
19393 |
157.9 |
2.7 |
0.339 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[PEG]B:503 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
19393 |
153.6 |
2.0 |
0.439 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[PEG]C:511 |
7 |
1 |
258 |
f |
C |
x,y,z |
1_555 |
25 |
8 |
19371 |
144.1 |
3.3 |
0.526 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[PGE]C:503 |
9 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
19057 |
142.0 |
2.3 |
0.235 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[PEG]A:507 |
7 |
1 |
254 |
◊ |
B |
x,y,z |
1_555 |
22 |
10 |
19393 |
127.6 |
2.7 |
0.450 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[PGE]A:505 |
10 |
1 |
336 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
19057 |
120.2 |
1.8 |
0.154 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[PEG]C:506 |
6 |
1 |
259 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
19371 |
115.5 |
3.4 |
0.547 |
2 |
0 |
0 |
0.000 |
21 |
24 |
|
[PEG]C:507 |
7 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
19371 |
111.6 |
2.7 |
0.384 |
2 |
0 |
0 |
0.000 |
22 |
25 |
|
[PGE]C:501 |
9 |
1 |
338 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
19371 |
107.9 |
2.0 |
0.220 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[PGE]A:504 |
7 |
1 |
338 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
19057 |
107.5 |
1.5 |
0.200 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[PGE]C:503 |
8 |
1 |
336 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
19371 |
105.5 |
3.4 |
0.297 |
2 |
0 |
0 |
0.000 |
25 |
28 |
|
[PEG]B:509 |
6 |
1 |
256 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
19371 |
103.2 |
2.3 |
0.422 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
[PEG]C:510 |
7 |
1 |
248 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
19371 |
102.2 |
3.0 |
0.393 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[PEG]A:514 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
19057 |
101.7 |
1.7 |
0.316 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
[PEG]A:510 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
19057 |
101.2 |
1.5 |
0.296 |
1 |
0 |
0 |
0.000 |
29 |
32 |
|
[PEG]A:513 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
19057 |
100.6 |
2.1 |
0.275 |
3 |
0 |
0 |
0.000 |
30 |
33 |
|
[PEG]A:508 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
19057 |
98.2 |
1.2 |
0.260 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[PEG]B:505 |
7 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
19393 |
96.9 |
1.1 |
0.209 |
1 |
0 |
0 |
0.000 |
32 |
35 |
|
[PEG]C:504 |
7 |
1 |
261 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
19371 |
95.9 |
0.9 |
0.189 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[PEG]A:509 |
7 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
19057 |
94.1 |
2.9 |
0.309 |
2 |
0 |
0 |
0.000 |
34 |
37 |
|
[PEG]C:505 |
7 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
19371 |
83.8 |
0.9 |
0.227 |
1 |
0 |
0 |
0.000 |
35 |
38 |
|
[PEG]B:508 |
5 |
1 |
257 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
19371 |
82.5 |
1.7 |
0.335 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[PEG]B:508 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
19393 |
81.7 |
0.6 |
0.236 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[PEG]A:511 |
6 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
19393 |
76.3 |
0.9 |
0.250 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[PEG]B:506 |
7 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
19393 |
72.0 |
0.3 |
0.133 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[BOG]B:510 |
7 |
1 |
508 |
◊ |
[PEG]B:505 |
x,y,z |
1_555 |
5 |
1 |
263 |
66.5 |
1.7 |
0.091 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[PEG]B:504 |
7 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
19393 |
65.4 |
0.9 |
0.197 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
[PEG]A:513 |
6 |
1 |
255 |
◊ |
C |
y-1,x,-z |
4_455 |
8 |
3 |
19371 |
64.6 |
1.9 |
0.317 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
[PEG]A:511 |
6 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
19057 |
64.5 |
1.2 |
0.248 |
0 |
0 |
0 |
0.000 |
43 |
46 |
|
[BOG]A:515 |
8 |
1 |
515 |
f |
B |
y-1,x,-z |
4_455 |
9 |
3 |
19393 |
63.6 |
0.1 |
0.101 |
1 |
0 |
0 |
0.031 |
44 |
47 |
|
[PGE]A:502 |
6 |
1 |
339 |
f |
[PGE]A:501 |
x,y,z |
1_555 |
7 |
1 |
331 |
62.8 |
3.5 |
0.066 |
0 |
0 |
0 |
0.000 |
45 |
48 |
|
[PEG]A:511 |
5 |
1 |
254 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
19371 |
56.6 |
1.0 |
0.312 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
[PEG]C:505 |
5 |
1 |
260 |
◊ |
[PGE]C:501 |
x,y,z |
1_555 |
6 |
1 |
338 |
55.6 |
2.6 |
0.099 |
0 |
0 |
0 |
0.000 |
47 |
50 |
|
[PGE]A:505 |
6 |
1 |
336 |
◊ |
[PGE]A:504 |
x,y,z |
1_555 |
9 |
1 |
338 |
53.6 |
2.9 |
0.032 |
0 |
0 |
0 |
0.000 |
48 |
51 |
|
[PEG]C:505 |
4 |
1 |
260 |
f |
[PEG]A:508 |
x,y,z |
1_555 |
6 |
1 |
261 |
47.1 |
2.1 |
0.109 |
0 |
0 |
0 |
0.000 |
49 |
52 |
|
[PEG]A:514 |
4 |
1 |
261 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
19371 |
45.8 |
-0.1 |
0.253 |
0 |
0 |
0 |
0.009 |
50 |
53 |
|
[PEG]A:512 |
5 |
1 |
260 |
f |
[PGE]C:501 |
x,y,z |
1_555 |
7 |
1 |
338 |
44.2 |
1.6 |
0.047 |
0 |
0 |
0 |
0.000 |
51 |
54 |
|
[PEG]C:505 |
5 |
1 |
260 |
◊ |
[PEG]A:512 |
x,y,z |
1_555 |
3 |
1 |
260 |
44.0 |
2.1 |
0.159 |
0 |
0 |
0 |
0.000 |
52 |
55 |
|
[PEG]C:506 |
4 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
19393 |
43.4 |
0.8 |
0.327 |
1 |
0 |
0 |
0.000 |
53 |
56 |
|
[PEG]B:508 |
5 |
1 |
257 |
f |
[PEG]B:505 |
x,y,z |
1_555 |
5 |
1 |
263 |
42.1 |
1.7 |
0.097 |
0 |
0 |
0 |
0.000 |
54 |
57 |
|
[PEG]C:508 |
5 |
1 |
260 |
◊ |
[PEG]B:505 |
x,y,z |
1_555 |
6 |
1 |
263 |
41.1 |
2.5 |
0.097 |
0 |
0 |
0 |
0.000 |
55 |
58 |
|
[PEG]A:507 |
3 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
19057 |
40.5 |
-0.4 |
0.213 |
1 |
0 |
0 |
0.083 |
56 |
59 |
|
[PEG]B:509 |
5 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
19393 |
40.4 |
-0.2 |
0.104 |
0 |
0 |
0 |
0.022 |
57 |
60 |
|
[PEG]A:514 |
4 |
1 |
261 |
f |
[PEG]A:508 |
x,y,z |
1_555 |
5 |
1 |
261 |
39.6 |
2.3 |
0.148 |
0 |
0 |
0 |
0.000 |
58 |
61 |
|
[BOG]B:510 |
6 |
1 |
508 |
f |
[PEG]C:508 |
x,y,z |
1_555 |
6 |
1 |
260 |
38.9 |
2.3 |
0.122 |
0 |
0 |
0 |
0.000 |
59 |
62 |
|
[PEG]C:510 |
3 |
1 |
248 |
f |
[PEG]B:508 |
x,y,z |
1_555 |
4 |
1 |
257 |
37.6 |
2.4 |
0.226 |
0 |
0 |
0 |
0.000 |
60 |
63 |
|
[PEG]A:512 |
3 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
19057 |
36.0 |
0.1 |
0.224 |
0 |
0 |
0 |
0.000 |
61 |
64 |
|
[PEG]C:504 |
4 |
1 |
261 |
◊ |
[PGE]C:501 |
x,y,z |
1_555 |
4 |
1 |
338 |
35.2 |
2.1 |
0.144 |
0 |
0 |
0 |
0.000 |
62 |
65 |
|
C |
4 |
1 |
19371 |
◊ |
C |
x-y,-y,-z+1/3 |
5_555 |
4 |
1 |
19371 |
32.3 |
0.2 |
0.832 |
0 |
0 |
0 |
0.000 |
63 |
66 |
|
[PEG]A:512 |
6 |
1 |
260 |
◊ |
[PEG]A:508 |
x,y,z |
1_555 |
4 |
1 |
261 |
30.2 |
0.9 |
0.067 |
0 |
0 |
0 |
0.000 |
64 |
67 |
|
[PEG]B:507 |
2 |
1 |
261 |
f |
[PGE]B:501 |
x,y,z |
1_555 |
4 |
1 |
313 |
27.7 |
1.4 |
0.138 |
0 |
0 |
0 |
0.000 |
65 |
68 |
|
[PEG]C:505 |
4 |
1 |
260 |
f |
[PEG]A:514 |
x,y,z |
1_555 |
2 |
1 |
261 |
26.0 |
1.5 |
0.220 |
0 |
0 |
0 |
0.000 |
66 |
69 |
|
A |
4 |
3 |
19057 |
◊ |
B |
y-1,x,-z |
4_455 |
2 |
1 |
19393 |
25.3 |
-0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
67 |
70 |
|
B |
1 |
1 |
19393 |
f |
[PEG]C:506 |
y-1,x,-z |
4_455 |
1 |
1 |
259 |
23.9 |
-0.3 |
0.367 |
1 |
0 |
0 |
0.077 |
68 |
71 |
|
[PEG]B:504 |
2 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
19057 |
20.1 |
-0.1 |
0.173 |
0 |
0 |
0 |
0.006 |
69 |
72 |
|
[PEG]A:508 |
2 |
1 |
261 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
19371 |
20.0 |
-0.1 |
0.296 |
0 |
0 |
0 |
0.005 |
70 |
73 |
|
[BOG]B:510 |
2 |
1 |
508 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
19371 |
18.5 |
0.5 |
0.510 |
1 |
0 |
0 |
0.000 |
71 |
74 |
|
B |
4 |
2 |
19393 |
f |
[PEG]C:507 |
y-1,x,-z |
4_455 |
2 |
1 |
258 |
13.8 |
0.6 |
0.494 |
0 |
0 |
0 |
0.000 |
72 |
75 |
|
B |
2 |
1 |
19393 |
◊ |
C |
y-1,x,-z |
4_455 |
2 |
2 |
19371 |
9.4 |
0.2 |
0.847 |
0 |
0 |
0 |
0.000 |
73 |
76 |
|
[PEG]C:508 |
3 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
19371 |
9.1 |
-0.3 |
0.198 |
0 |
0 |
0 |
0.031 |
74 |
77 |
|
[PGE]C:502 |
1 |
1 |
337 |
f |
A |
x-y,-y,-z+1/3 |
5_555 |
1 |
1 |
19057 |
7.6 |
-0.0 |
0.303 |
0 |
0 |
0 |
0.004 |
75 |
78 |
|
[PGE]A:503 |
1 |
1 |
337 |
f |
C |
x-y,-y,-z+1/3 |
5_555 |
1 |
1 |
19371 |
5.8 |
-0.2 |
0.189 |
0 |
0 |
0 |
0.023 |
76 |
79 |
|
[PEG]A:509 |
1 |
1 |
255 |
f |
C |
y-1,x,-z |
4_455 |
1 |
1 |
19371 |
2.7 |
-0.0 |
0.258 |
0 |
0 |
0 |
0.001 |
77 |
80 |
|
[PGE]A:505 |
1 |
1 |
336 |
f |
C |
y-1,x,-z |
4_455 |
1 |
1 |
19371 |
1.9 |
0.0 |
0.228 |
0 |
0 |
0 |
0.000 |
|