## |
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 |
128 |
30 |
9384 |
◊ |
A |
x,y,z |
1_555 |
127 |
30 |
10164 |
1302.5 |
-10.9 |
0.224 |
20 |
2 |
0 |
1.000 |
2 |
|
H |
122 |
30 |
9342 |
◊ |
E |
x,y,z |
1_555 |
122 |
30 |
9324 |
1287.2 |
-11.7 |
0.195 |
20 |
3 |
0 |
1.000 |
3 |
|
D |
127 |
32 |
9350 |
◊ |
B |
x,y,z |
1_555 |
120 |
30 |
9986 |
1283.7 |
-10.5 |
0.291 |
20 |
2 |
0 |
1.000 |
4 |
|
I |
127 |
31 |
9338 |
◊ |
F |
x,y,z |
1_555 |
126 |
31 |
9448 |
1278.8 |
-11.7 |
0.209 |
19 |
1 |
0 |
1.000 |
5 |
|
J |
120 |
30 |
9394 |
◊ |
G |
x,y,z |
1_555 |
118 |
30 |
9363 |
1273.7 |
-10.5 |
0.219 |
20 |
2 |
0 |
1.000 |
Average: |
1285.2 |
-11.1 |
0.227 |
20 |
2 |
0 |
1.000 |
2 |
6 |
|
D |
87 |
25 |
9350 |
◊ |
A |
x,y,z |
1_555 |
85 |
20 |
10164 |
746.7 |
-6.2 |
0.341 |
3 |
1 |
0 |
0.216 |
7 |
|
C |
82 |
26 |
9384 |
◊ |
B |
x,y,z |
1_555 |
71 |
18 |
9986 |
676.1 |
-6.4 |
0.322 |
4 |
0 |
0 |
0.216 |
8 |
|
J |
43 |
12 |
9394 |
◊ |
F |
x,y,z |
1_555 |
54 |
15 |
9448 |
419.3 |
-3.6 |
0.374 |
3 |
1 |
0 |
0.216 |
9 |
|
I |
43 |
12 |
9338 |
◊ |
G |
x,y,z |
1_555 |
50 |
14 |
9363 |
417.4 |
-4.5 |
0.291 |
3 |
1 |
0 |
0.216 |
10 |
|
H |
40 |
12 |
9342 |
◊ |
D |
x,y,z |
1_555 |
51 |
15 |
9350 |
400.4 |
-4.7 |
0.279 |
3 |
1 |
0 |
0.216 |
11 |
|
E |
52 |
13 |
9324 |
◊ |
B |
x,y,z |
1_555 |
40 |
12 |
9986 |
398.3 |
-4.1 |
0.342 |
2 |
0 |
0 |
0.216 |
Average: |
509.7 |
-4.9 |
0.325 |
3 |
1 |
0 |
0.216 |
3 |
12 |
|
F |
56 |
20 |
9448 |
◊ |
B |
x,y,z |
1_555 |
55 |
17 |
9986 |
499.7 |
-0.7 |
0.620 |
6 |
1 |
0 |
0.015 |
4 |
13 |
|
J |
50 |
17 |
9394 |
◊ |
F |
-x-1,y-1/2,-z-2 |
2_443 |
56 |
18 |
9448 |
472.0 |
2.1 |
0.789 |
3 |
2 |
0 |
0.000 |
5 |
14 |
|
I |
55 |
17 |
9338 |
◊ |
H |
-x,y-1/2,-z-2 |
2_543 |
50 |
17 |
9342 |
471.3 |
-3.0 |
0.463 |
4 |
0 |
0 |
0.000 |
15 |
|
C |
48 |
15 |
9384 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
49 |
15 |
9324 |
453.2 |
-4.0 |
0.349 |
4 |
0 |
0 |
0.000 |
Average: |
462.2 |
-3.5 |
0.406 |
4 |
0 |
0 |
0.000 |
6 |
16 |
|
G |
49 |
16 |
9363 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
48 |
15 |
10164 |
433.9 |
-2.5 |
0.449 |
1 |
2 |
0 |
0.000 |
7 |
17 |
|
G |
44 |
13 |
9363 |
◊ |
D |
x,y,z |
1_555 |
41 |
15 |
9350 |
383.7 |
1.6 |
0.778 |
3 |
4 |
0 |
0.001 |
8 |
18 |
|
E |
40 |
11 |
9324 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
10164 |
328.7 |
-6.2 |
0.124 |
1 |
0 |
0 |
0.038 |
9 |
19 |
|
J |
18 |
6 |
9394 |
◊ |
G |
x-1,y,z |
1_455 |
23 |
6 |
9363 |
150.3 |
-0.6 |
0.556 |
2 |
1 |
0 |
0.000 |
20 |
|
F |
22 |
6 |
9448 |
◊ |
I |
x-1,y,z |
1_455 |
19 |
5 |
9338 |
143.1 |
-0.4 |
0.587 |
0 |
0 |
0 |
0.000 |
21 |
|
E |
22 |
6 |
9324 |
◊ |
H |
x-1,y,z |
1_455 |
18 |
4 |
9342 |
138.3 |
-0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
22 |
|
B |
14 |
4 |
9986 |
◊ |
D |
x-1,y,z |
1_455 |
20 |
6 |
9350 |
131.4 |
-0.1 |
0.622 |
1 |
1 |
0 |
0.000 |
23 |
|
C |
20 |
6 |
9384 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
4 |
10164 |
129.4 |
-0.2 |
0.594 |
2 |
1 |
0 |
0.000 |
Average: |
138.5 |
-0.3 |
0.592 |
1 |
1 |
0 |
0.000 |
10 |
24 |
|
I |
9 |
2 |
9338 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
9350 |
105.6 |
0.2 |
0.664 |
1 |
0 |
0 |
0.000 |
11 |
25 |
|
[SO4]C:301 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
9384 |
95.3 |
-13.1 |
0.646 |
1 |
0 |
0 |
0.233 |
12 |
26 |
|
[SO4]A:301 |
5 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
9350 |
89.9 |
-11.2 |
0.649 |
2 |
0 |
0 |
0.299 |
13 |
27 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10164 |
84.1 |
-12.3 |
0.743 |
2 |
0 |
0 |
0.227 |
14 |
28 |
|
[SO4]A:301 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
10164 |
74.4 |
-9.0 |
0.907 |
1 |
0 |
0 |
0.147 |
15 |
29 |
|
[GOL]B:302 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
9 |
6 |
9350 |
71.9 |
1.1 |
0.671 |
2 |
0 |
0 |
0.000 |
16 |
30 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
10164 |
71.8 |
-10.3 |
0.598 |
2 |
0 |
0 |
0.193 |
17 |
31 |
|
[GOL]A:304 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
9384 |
70.6 |
1.0 |
0.627 |
1 |
0 |
0 |
0.000 |
18 |
32 |
|
[GOL]F:301 |
5 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
11 |
7 |
9448 |
69.1 |
1.5 |
0.679 |
2 |
0 |
0 |
0.000 |
19 |
33 |
|
[SO4]B:301 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
9986 |
66.4 |
-7.9 |
0.900 |
2 |
0 |
0 |
0.216 |
20 |
34 |
|
H |
8 |
4 |
9342 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
9986 |
62.5 |
-1.1 |
0.356 |
0 |
0 |
0 |
0.013 |
35 |
|
D |
8 |
4 |
9350 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
9384 |
62.2 |
-1.0 |
0.364 |
0 |
0 |
0 |
0.013 |
36 |
|
J |
6 |
4 |
9394 |
◊ |
I |
x,y,z |
1_555 |
7 |
4 |
9338 |
55.1 |
-1.0 |
0.338 |
0 |
0 |
0 |
0.013 |
Average: |
60.0 |
-1.0 |
0.353 |
0 |
0 |
0 |
0.013 |
21 |
37 |
|
[SO4]C:301 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9986 |
56.1 |
-7.1 |
0.681 |
2 |
0 |
0 |
0.046 |
22 |
38 |
|
[GOL]H:301 |
4 |
1 |
218 |
◊ |
H |
x,y,z |
1_555 |
8 |
5 |
9342 |
53.0 |
1.4 |
0.763 |
2 |
0 |
0 |
0.000 |
23 |
39 |
|
[GOL]H:301 |
4 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
9324 |
47.1 |
1.2 |
0.681 |
1 |
0 |
0 |
0.000 |
24 |
40 |
|
[SO4]A:303 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
9350 |
46.9 |
-5.2 |
0.796 |
1 |
0 |
0 |
0.088 |
25 |
41 |
|
J |
5 |
3 |
9394 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
9986 |
45.2 |
0.4 |
0.717 |
0 |
0 |
0 |
0.000 |
26 |
42 |
|
[GOL]B:302 |
3 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9986 |
45.2 |
1.0 |
0.658 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
C |
7 |
4 |
9384 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
4 |
9350 |
44.2 |
1.3 |
0.842 |
0 |
0 |
0 |
0.000 |
28 |
44 |
|
A |
6 |
4 |
10164 |
◊ |
H |
-x,y-1/2,-z-1 |
2_544 |
7 |
4 |
9342 |
43.9 |
1.1 |
0.783 |
0 |
0 |
0 |
0.000 |
29 |
45 |
|
[GOL]A:304 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10164 |
40.4 |
1.2 |
0.776 |
2 |
0 |
0 |
0.000 |
30 |
46 |
|
G |
6 |
2 |
9363 |
◊ |
I |
-x,y-1/2,-z-2 |
2_543 |
8 |
3 |
9338 |
39.7 |
-0.1 |
0.563 |
0 |
0 |
0 |
0.000 |
31 |
47 |
|
E |
6 |
3 |
9324 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
9384 |
39.4 |
1.0 |
0.795 |
1 |
1 |
0 |
0.000 |
32 |
48 |
|
B |
6 |
2 |
9986 |
◊ |
E |
-x-1,y-1/2,-z-1 |
2_444 |
3 |
1 |
9324 |
38.6 |
-0.3 |
0.461 |
0 |
0 |
0 |
0.000 |
33 |
49 |
|
[GOL]F:301 |
4 |
1 |
218 |
f |
I |
x,y,z |
1_555 |
3 |
2 |
9338 |
35.9 |
1.0 |
0.783 |
1 |
0 |
0 |
0.000 |
34 |
50 |
|
H |
2 |
1 |
9342 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10164 |
22.8 |
0.9 |
0.889 |
1 |
1 |
0 |
0.000 |
35 |
51 |
|
[GOL]A:304 |
3 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
9324 |
21.3 |
0.4 |
0.686 |
1 |
0 |
0 |
0.100 |
36 |
52 |
|
I |
4 |
2 |
9338 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
2 |
10164 |
15.4 |
0.4 |
0.723 |
0 |
0 |
0 |
0.000 |
37 |
53 |
|
[SO4]B:301 |
4 |
1 |
183 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
9350 |
10.2 |
-0.6 |
0.940 |
0 |
0 |
0 |
0.000 |
38 |
54 |
|
B |
2 |
2 |
9986 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
10164 |
7.8 |
0.5 |
0.817 |
0 |
0 |
0 |
0.000 |
55 |
|
E |
1 |
1 |
9324 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9350 |
0.4 |
0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
Average: |
4.1 |
0.2 |
0.745 |
0 |
0 |
0 |
0.000 |
39 |
56 |
|
[GOL]B:302 |
1 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
10164 |
5.2 |
0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
40 |
57 |
|
F |
1 |
1 |
9448 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9350 |
2.2 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
41 |
58 |
|
[GOL]A:304 |
1 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9986 |
1.6 |
0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
42 |
59 |
|
[GOL]H:301 |
1 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
9350 |
1.4 |
0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
|