## |
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 |
|
B |
89 |
24 |
18213 |
◊ |
A |
x,y,z |
1_555 |
85 |
23 |
18059 |
746.0 |
-6.7 |
0.116 |
1 |
0 |
0 |
0.000 |
2 |
2 |
|
C |
82 |
23 |
18023 |
◊ |
B |
x,y,z |
1_555 |
81 |
21 |
18213 |
739.0 |
0.7 |
0.604 |
17 |
3 |
0 |
0.000 |
3 |
|
A |
81 |
22 |
18059 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
86 |
24 |
17933 |
736.0 |
-0.9 |
0.519 |
16 |
1 |
0 |
0.000 |
Average: |
737.5 |
-0.1 |
0.562 |
17 |
2 |
0 |
0.000 |
3 |
4 |
|
B |
74 |
18 |
18213 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
73 |
19 |
18059 |
683.6 |
-1.5 |
0.407 |
13 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
64 |
15 |
18023 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
69 |
17 |
17933 |
611.4 |
-1.7 |
0.439 |
12 |
0 |
0 |
0.000 |
5 |
6 |
|
D |
51 |
16 |
17933 |
◊ |
C |
x,y,z |
1_555 |
55 |
14 |
18023 |
464.3 |
-5.7 |
0.096 |
0 |
0 |
0 |
0.052 |
6 |
7 |
|
B |
45 |
14 |
18213 |
◊ |
C |
-x+1,y-1/2,-z-1 |
2_644 |
48 |
17 |
18023 |
398.8 |
-0.3 |
0.516 |
3 |
2 |
0 |
0.000 |
7 |
8 |
|
C |
45 |
16 |
18023 |
◊ |
A |
x,y,z |
1_555 |
43 |
14 |
18059 |
395.4 |
-0.0 |
0.558 |
4 |
1 |
0 |
0.000 |
9 |
|
B |
41 |
12 |
18213 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
44 |
14 |
17933 |
393.3 |
1.6 |
0.703 |
4 |
2 |
0 |
0.000 |
Average: |
394.4 |
0.8 |
0.630 |
4 |
2 |
0 |
0.000 |
8 |
10 |
|
B |
42 |
14 |
18213 |
◊ |
D |
-x+1,y-1/2,-z-1 |
2_644 |
48 |
13 |
17933 |
368.8 |
-0.9 |
0.466 |
6 |
1 |
0 |
0.000 |
9 |
11 |
|
C |
28 |
7 |
18023 |
◊ |
A |
x,y,z-1 |
1_554 |
26 |
9 |
18059 |
238.6 |
0.4 |
0.610 |
3 |
0 |
0 |
0.000 |
10 |
12 |
|
[PG4]C:485 |
13 |
1 |
408 |
◊ |
C |
x,y,z |
1_555 |
45 |
12 |
18023 |
206.6 |
5.2 |
0.337 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
A |
26 |
10 |
18059 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
19 |
7 |
18023 |
193.6 |
1.9 |
0.798 |
1 |
1 |
0 |
0.000 |
12 |
14 |
|
D |
27 |
9 |
17933 |
◊ |
A |
x,y,z-1 |
1_554 |
19 |
7 |
18059 |
185.9 |
0.7 |
0.607 |
0 |
1 |
0 |
0.000 |
13 |
15 |
|
[PGE]D:485 |
10 |
1 |
335 |
◊ |
D |
x,y,z |
1_555 |
37 |
12 |
17933 |
176.6 |
5.6 |
0.358 |
0 |
0 |
0 |
0.000 |
16 |
|
[PGE]B:485 |
10 |
1 |
339 |
◊ |
B |
x,y,z |
1_555 |
37 |
12 |
18213 |
175.7 |
5.0 |
0.303 |
0 |
0 |
0 |
0.000 |
17 |
|
[PGE]A:486 |
10 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
39 |
11 |
18059 |
173.1 |
4.9 |
0.308 |
0 |
0 |
0 |
0.000 |
Average: |
175.1 |
5.2 |
0.323 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
A |
19 |
7 |
18059 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
20 |
8 |
18213 |
168.8 |
2.1 |
0.811 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
D |
24 |
10 |
17933 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
20 |
9 |
18023 |
166.5 |
2.5 |
0.852 |
4 |
2 |
0 |
0.000 |
16 |
20 |
|
D |
17 |
6 |
17933 |
◊ |
C |
x-1,y,z |
1_455 |
13 |
6 |
18023 |
142.4 |
0.9 |
0.719 |
3 |
0 |
0 |
0.000 |
17 |
21 |
|
[PGE]C:486 |
10 |
1 |
332 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
18023 |
131.5 |
3.9 |
0.227 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[PGE]B:486 |
9 |
1 |
336 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
18213 |
130.6 |
3.5 |
0.194 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[PEG]A:485 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
18059 |
122.0 |
2.3 |
0.229 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[SO4]D:5 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
17933 |
106.7 |
-13.9 |
0.882 |
3 |
0 |
0 |
0.139 |
21 |
25 |
|
[SO4]B:7 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
18213 |
106.2 |
-14.4 |
0.744 |
0 |
0 |
0 |
0.054 |
22 |
26 |
|
[SO4]C:4 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
18023 |
97.5 |
-13.5 |
0.807 |
4 |
0 |
0 |
0.139 |
23 |
27 |
|
[SO4]D:486 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
17933 |
95.4 |
-13.7 |
0.738 |
3 |
0 |
0 |
0.137 |
24 |
28 |
|
[SO4]C:2 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
18023 |
76.4 |
-11.1 |
0.671 |
2 |
0 |
0 |
0.109 |
25 |
29 |
|
D |
9 |
6 |
17933 |
f |
[SO4]A:6 |
x,y,z-1 |
1_554 |
5 |
1 |
184 |
67.2 |
-9.3 |
0.568 |
3 |
0 |
0 |
0.097 |
26 |
30 |
|
[PGE]C:486 |
7 |
1 |
332 |
f |
D |
-x,y-1/2,-z-1 |
2_544 |
9 |
2 |
17933 |
62.0 |
1.2 |
0.135 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[PGE]B:486 |
5 |
1 |
336 |
f |
A |
-x+1,y-1/2,-z |
2_645 |
10 |
2 |
18059 |
58.8 |
1.5 |
0.255 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[SO4]A:6 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
18059 |
55.7 |
-6.6 |
0.772 |
1 |
0 |
0 |
0.000 |
29 |
33 |
|
A |
8 |
4 |
18059 |
◊ |
[SO4]B:7 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
185 |
53.6 |
-6.1 |
0.841 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
D |
7 |
3 |
17933 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
1 |
18023 |
53.1 |
0.2 |
0.595 |
1 |
0 |
0 |
0.000 |
31 |
35 |
|
A |
9 |
4 |
18059 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
4 |
18213 |
47.0 |
-0.1 |
0.505 |
1 |
0 |
0 |
0.000 |
32 |
36 |
|
B |
6 |
3 |
18213 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
1 |
18059 |
45.7 |
0.0 |
0.504 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[CA]A:1 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
18059 |
43.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.236 |
38 |
|
[CA]B:1 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
18213 |
43.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.236 |
39 |
|
[CA]D:1 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
17933 |
43.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.236 |
40 |
|
[CA]C:1 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
6 |
18023 |
43.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.236 |
Average: |
43.3 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.236 |
34 |
41 |
|
D |
8 |
3 |
17933 |
◊ |
A |
x-1,y,z-1 |
1_454 |
5 |
2 |
18059 |
43.0 |
0.1 |
0.572 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[SO4]C:2 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
17933 |
42.4 |
-4.6 |
0.873 |
2 |
0 |
0 |
0.050 |
36 |
43 |
|
B |
8 |
2 |
18213 |
f |
[PEG]A:485 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
259 |
40.7 |
0.6 |
0.295 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[SO4]D:486 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
18023 |
40.2 |
-4.6 |
0.858 |
1 |
0 |
0 |
0.046 |
38 |
45 |
|
[SO4]C:4 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18059 |
35.5 |
-4.2 |
0.588 |
1 |
0 |
0 |
0.000 |
39 |
46 |
|
[PGE]B:486 |
2 |
1 |
336 |
f |
[PGE]B:485 |
x,y,z |
1_555 |
6 |
1 |
339 |
27.5 |
0.6 |
0.069 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
D |
2 |
2 |
17933 |
◊ |
B |
x-1,y,z-1 |
1_454 |
5 |
4 |
18213 |
21.6 |
1.0 |
0.798 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
A |
3 |
2 |
18059 |
◊ |
[SO4]D:5 |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
185 |
18.3 |
-2.3 |
0.710 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[PG4]C:485 |
1 |
1 |
408 |
f |
[PGE]C:486 |
x,y,z |
1_555 |
2 |
1 |
332 |
15.1 |
-0.6 |
0.121 |
0 |
0 |
0 |
0.006 |
43 |
50 |
|
[PGE]A:486 |
2 |
1 |
334 |
f |
[PEG]A:485 |
x,y,z |
1_555 |
1 |
1 |
259 |
12.5 |
-0.0 |
0.141 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
D |
1 |
1 |
17933 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
18213 |
4.5 |
0.1 |
0.780 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
B |
1 |
1 |
18213 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
18023 |
2.5 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
C |
1 |
1 |
18023 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
18213 |
2.3 |
-0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
54 |
|
A |
1 |
1 |
18059 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
17933 |
1.3 |
0.1 |
0.728 |
0 |
0 |
0 |
0.000 |
Average: |
1.8 |
0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
|