## |
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 |
|
D |
385 |
104 |
20563 |
◊ |
C |
x,y,z |
1_555 |
385 |
105 |
20499 |
3680.3 |
-32.5 |
0.014 |
44 |
6 |
0 |
1.000 |
2 |
|
B |
385 |
107 |
20564 |
◊ |
A |
x,y,z |
1_555 |
385 |
106 |
20403 |
3627.8 |
-31.8 |
0.015 |
41 |
5 |
0 |
1.000 |
Average: |
3654.1 |
-32.1 |
0.014 |
43 |
6 |
0 |
1.000 |
2 |
3 |
|
C |
92 |
28 |
20499 |
◊ |
A |
x,y,z |
1_555 |
91 |
29 |
20403 |
764.4 |
-6.5 |
0.215 |
8 |
2 |
0 |
0.153 |
4 |
|
D |
91 |
27 |
20563 |
◊ |
B |
x,y,z |
1_555 |
89 |
27 |
20564 |
749.8 |
-6.2 |
0.222 |
8 |
4 |
0 |
0.153 |
Average: |
757.1 |
-6.3 |
0.218 |
8 |
3 |
0 |
0.153 |
3 |
5 |
|
D |
79 |
23 |
20563 |
◊ |
A |
x,y,z |
1_555 |
78 |
21 |
20403 |
669.4 |
4.1 |
0.866 |
9 |
4 |
0 |
0.009 |
6 |
|
C |
77 |
22 |
20499 |
◊ |
B |
x,y,z |
1_555 |
70 |
21 |
20564 |
668.6 |
4.4 |
0.879 |
10 |
4 |
0 |
0.009 |
Average: |
669.0 |
4.2 |
0.873 |
10 |
4 |
0 |
0.009 |
4 |
7 |
|
C |
40 |
14 |
20499 |
◊ |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
37 |
11 |
20403 |
338.9 |
0.5 |
0.618 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
C |
37 |
19 |
20499 |
◊ |
C |
-x+3,y,-z+1 |
2_856 |
38 |
19 |
20499 |
291.1 |
3.9 |
0.904 |
6 |
0 |
0 |
0.000 |
6 |
9 |
|
[PGE]D:502 |
9 |
1 |
333 |
◊ |
D |
x,y,z |
1_555 |
34 |
11 |
20563 |
200.2 |
4.2 |
0.279 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
[PGE]B:502 |
10 |
1 |
331 |
◊ |
B |
x,y,z |
1_555 |
32 |
9 |
20564 |
190.0 |
4.6 |
0.258 |
1 |
0 |
0 |
0.000 |
11 |
|
[PGE]A:502 |
10 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
30 |
9 |
20403 |
185.6 |
5.0 |
0.321 |
1 |
0 |
0 |
0.000 |
Average: |
187.8 |
4.8 |
0.290 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
B |
24 |
11 |
20564 |
◊ |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
23 |
8 |
20403 |
189.6 |
1.1 |
0.697 |
2 |
0 |
0 |
0.000 |
13 |
|
B |
20 |
6 |
20564 |
◊ |
A |
-x+5/2,y-1/2,-z |
4_745 |
20 |
10 |
20403 |
187.7 |
1.4 |
0.749 |
2 |
0 |
0 |
0.000 |
Average: |
188.7 |
1.2 |
0.723 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
[PGE]C:502 |
10 |
1 |
331 |
◊ |
C |
x,y,z |
1_555 |
32 |
9 |
20499 |
187.9 |
2.7 |
0.159 |
2 |
0 |
0 |
0.000 |
10 |
15 |
|
[PEG]A:505 |
7 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
20403 |
169.0 |
2.6 |
0.308 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[PEG]B:504 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
29 |
11 |
20564 |
168.6 |
3.2 |
0.360 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
D |
16 |
6 |
20563 |
◊ |
C |
-x+3,y,-z+1 |
2_856 |
19 |
5 |
20499 |
160.6 |
-0.7 |
0.482 |
0 |
1 |
0 |
0.000 |
13 |
18 |
|
[PG4]C:503 |
13 |
1 |
397 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
20499 |
152.8 |
5.2 |
0.400 |
4 |
0 |
0 |
0.000 |
14 |
19 |
|
B |
21 |
7 |
20564 |
◊ |
D |
-x+5/2,y-1/2,-z |
4_745 |
16 |
7 |
20563 |
147.8 |
-0.3 |
0.513 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[PGE]A:503 |
10 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
20403 |
141.0 |
4.7 |
0.296 |
3 |
0 |
0 |
0.000 |
16 |
21 |
|
D |
16 |
7 |
20563 |
◊ |
A |
-x+5/2,y-1/2,-z |
4_745 |
16 |
7 |
20403 |
122.7 |
0.7 |
0.698 |
1 |
2 |
0 |
0.000 |
22 |
|
B |
13 |
7 |
20564 |
◊ |
C |
-x+5/2,y-1/2,-z+1 |
4_746 |
19 |
8 |
20499 |
122.0 |
1.7 |
0.792 |
1 |
1 |
0 |
0.000 |
Average: |
122.3 |
1.2 |
0.745 |
1 |
2 |
0 |
0.000 |
17 |
23 |
|
[TRS]B:505 |
7 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
20564 |
118.9 |
2.0 |
0.651 |
4 |
0 |
0 |
0.000 |
18 |
24 |
|
[TRS]A:507 |
7 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
20403 |
116.0 |
2.6 |
0.092 |
1 |
0 |
0 |
0.000 |
19 |
25 |
|
[EDO]C:504 |
4 |
1 |
184 |
cf |
C |
x,y,z |
1_555 |
21 |
8 |
20499 |
111.5 |
3.5 |
0.580 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[PEG]A:506 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
20403 |
105.0 |
2.4 |
0.264 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[PEG]D:503 |
6 |
1 |
249 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
20563 |
103.4 |
2.4 |
0.379 |
2 |
0 |
0 |
0.000 |
22 |
28 |
|
[PEG]B:503 |
7 |
1 |
253 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
20564 |
99.0 |
3.0 |
0.318 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[PEG]A:504 |
6 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
20403 |
95.6 |
2.3 |
0.301 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[TRS]A:507 |
5 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
11 |
2 |
20564 |
73.3 |
1.9 |
0.155 |
1 |
0 |
0 |
0.000 |
25 |
31 |
|
B |
13 |
6 |
20564 |
f |
[PEG]A:504 |
-x+5/2,y-1/2,-z |
4_745 |
6 |
1 |
260 |
72.3 |
1.1 |
0.194 |
1 |
0 |
0 |
0.000 |
26 |
32 |
|
[TRS]B:505 |
5 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
20403 |
71.1 |
2.0 |
0.160 |
1 |
0 |
0 |
0.000 |
27 |
33 |
|
D |
5 |
2 |
20563 |
◊ |
D |
-x+3,y,-z |
2_855 |
5 |
2 |
20563 |
55.4 |
0.3 |
0.701 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[NA]D:501 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
20563 |
52.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.554 |
35 |
|
[NA]C:501 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
20499 |
52.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.554 |
36 |
|
[NA]B:501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20564 |
52.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.554 |
37 |
|
[NA]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20403 |
51.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.554 |
Average: |
52.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.554 |
29 |
38 |
|
[NA]B:501 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
20403 |
47.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.218 |
39 |
|
[NA]D:501 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
20499 |
47.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.218 |
40 |
|
[NA]C:501 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
20563 |
47.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.218 |
41 |
|
[NA]A:501 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
20564 |
47.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.218 |
Average: |
47.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.218 |
30 |
42 |
|
[PGE]C:502 |
3 |
1 |
331 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
20563 |
47.3 |
0.5 |
0.187 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
[PG4]C:503 |
4 |
1 |
397 |
◊ |
D |
-x+3,y,-z+1 |
2_856 |
4 |
1 |
20563 |
40.8 |
1.0 |
0.417 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
[PGE]A:502 |
3 |
1 |
333 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
20564 |
31.1 |
0.1 |
0.156 |
0 |
0 |
0 |
0.008 |
45 |
|
[PGE]B:502 |
3 |
1 |
331 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
20403 |
27.3 |
-0.5 |
0.108 |
0 |
0 |
0 |
0.008 |
Average: |
29.2 |
-0.2 |
0.132 |
0 |
0 |
0 |
0.008 |
33 |
46 |
|
[PGE]D:502 |
3 |
1 |
333 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
20499 |
28.2 |
0.5 |
0.209 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
[PG4]C:503 |
3 |
1 |
397 |
f |
C |
-x+3,y,-z+1 |
2_856 |
2 |
1 |
20499 |
18.4 |
0.6 |
0.382 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
D |
1 |
1 |
20563 |
◊ |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
1 |
1 |
20403 |
7.3 |
0.2 |
0.826 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
[PEG]B:503 |
1 |
1 |
253 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
20563 |
3.2 |
0.1 |
0.232 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
[PEG]B:503 |
1 |
1 |
253 |
f |
A |
-x+5/2,y-1/2,-z+1 |
4_746 |
1 |
1 |
20403 |
2.7 |
-0.0 |
0.331 |
0 |
0 |
0 |
0.000 |
|