## |
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 |
|
F |
156 |
46 |
18291 |
◊ |
E |
x,y,z |
1_555 |
158 |
45 |
18003 |
1399.6 |
4.3 |
0.828 |
18 |
14 |
0 |
0.041 |
2 |
|
C |
155 |
45 |
18254 |
◊ |
A |
x,y,z |
1_555 |
159 |
45 |
18724 |
1397.8 |
5.7 |
0.861 |
21 |
18 |
0 |
0.041 |
Average: |
1398.7 |
5.0 |
0.845 |
20 |
16 |
0 |
0.041 |
2 |
3 |
|
C |
61 |
18 |
18254 |
◊ |
A |
-x+3/2,y-1/2,-z |
4_645 |
59 |
17 |
18724 |
540.2 |
3.9 |
0.853 |
7 |
9 |
0 |
0.002 |
3 |
4 |
|
F |
59 |
17 |
18291 |
◊ |
E |
-x+5/2,y-1/2,-z+1 |
4_746 |
58 |
17 |
18003 |
484.4 |
3.1 |
0.811 |
8 |
7 |
0 |
0.005 |
4 |
5 |
|
I |
40 |
12 |
4657 |
◊ |
A |
x,y,z |
1_555 |
58 |
18 |
18724 |
450.7 |
-8.5 |
0.080 |
3 |
0 |
0 |
0.100 |
6 |
|
B |
38 |
12 |
4808 |
◊ |
E |
x,y,z |
1_555 |
62 |
20 |
18003 |
447.2 |
-8.1 |
0.091 |
3 |
0 |
0 |
0.100 |
7 |
|
G |
39 |
12 |
4531 |
◊ |
C |
x,y,z |
1_555 |
55 |
19 |
18254 |
447.0 |
-9.3 |
0.051 |
2 |
0 |
0 |
0.100 |
Average: |
448.3 |
-8.7 |
0.074 |
3 |
0 |
0 |
0.100 |
5 |
8 |
|
E |
43 |
11 |
18003 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
43 |
11 |
18724 |
389.9 |
-1.2 |
0.495 |
3 |
4 |
0 |
0.000 |
6 |
9 |
|
B |
43 |
11 |
4808 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
35 |
10 |
18724 |
388.4 |
-3.8 |
0.391 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
B |
35 |
11 |
4808 |
◊ |
A |
x,y,z |
1_555 |
46 |
18 |
18724 |
379.1 |
-0.7 |
0.497 |
3 |
0 |
0 |
0.022 |
11 |
|
I |
25 |
8 |
4657 |
◊ |
E |
x,y,z |
1_555 |
22 |
9 |
18003 |
212.6 |
1.8 |
0.494 |
2 |
0 |
0 |
0.022 |
12 |
|
G |
17 |
5 |
4531 |
◊ |
F |
x,y,z |
1_555 |
20 |
9 |
18291 |
167.7 |
0.1 |
0.387 |
2 |
0 |
0 |
0.022 |
Average: |
253.1 |
0.4 |
0.459 |
2 |
0 |
0 |
0.022 |
8 |
13 |
|
D |
39 |
10 |
4575 |
◊ |
F |
x,y,z |
1_555 |
48 |
16 |
18291 |
375.8 |
-6.7 |
0.127 |
2 |
0 |
0 |
0.071 |
9 |
14 |
|
F |
35 |
15 |
18291 |
◊ |
C |
x,y,z |
1_555 |
35 |
14 |
18254 |
356.6 |
-1.4 |
0.452 |
6 |
2 |
0 |
0.041 |
15 |
|
E |
34 |
14 |
18003 |
◊ |
A |
x,y,z |
1_555 |
35 |
14 |
18724 |
340.2 |
-1.9 |
0.415 |
6 |
2 |
0 |
0.041 |
Average: |
348.4 |
-1.6 |
0.433 |
6 |
2 |
0 |
0.041 |
10 |
16 |
|
E |
32 |
7 |
18003 |
◊ |
A |
-x+2,y,-z |
2_755 |
37 |
12 |
18724 |
335.6 |
-2.3 |
0.359 |
4 |
2 |
0 |
0.000 |
11 |
17 |
|
D |
40 |
11 |
4575 |
◊ |
D |
-x+2,y,-z |
2_755 |
39 |
11 |
4575 |
293.1 |
-5.3 |
0.298 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
D |
25 |
9 |
4575 |
◊ |
C |
x,y,z |
1_555 |
29 |
13 |
18254 |
237.5 |
1.8 |
0.653 |
3 |
1 |
0 |
0.000 |
13 |
19 |
|
G |
32 |
15 |
4531 |
◊ |
B |
x,y-1,z |
1_545 |
31 |
13 |
4808 |
215.1 |
0.8 |
0.858 |
2 |
0 |
0 |
0.000 |
14 |
20 |
|
D |
17 |
8 |
4575 |
◊ |
I |
x,y-1,z |
1_545 |
21 |
8 |
4657 |
176.6 |
-1.4 |
0.543 |
1 |
0 |
0 |
0.006 |
15 |
21 |
|
G |
18 |
6 |
4531 |
◊ |
G |
-x+2,y,-z+1 |
2_756 |
18 |
6 |
4531 |
148.8 |
-0.4 |
0.697 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
B |
12 |
3 |
4808 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
12 |
3 |
4808 |
123.3 |
0.5 |
0.789 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
E |
9 |
3 |
18003 |
◊ |
C |
-x+2,y,-z |
2_755 |
16 |
4 |
18254 |
116.2 |
1.8 |
0.839 |
2 |
6 |
0 |
0.000 |
18 |
24 |
|
[EDO]C:503 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
18254 |
111.8 |
4.1 |
0.643 |
5 |
0 |
0 |
0.000 |
19 |
25 |
|
[SO4]E:503 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
10 |
18003 |
109.4 |
-21.8 |
0.476 |
5 |
0 |
0 |
0.124 |
20 |
26 |
|
[SO4]E:502 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
18 |
10 |
18003 |
108.8 |
-16.9 |
0.751 |
7 |
0 |
0 |
0.103 |
21 |
27 |
|
I |
15 |
3 |
4657 |
◊ |
I |
-x+2,y,-z |
2_755 |
15 |
3 |
4657 |
108.0 |
0.2 |
0.726 |
2 |
0 |
0 |
0.000 |
22 |
28 |
|
[SO4]A:502 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
18724 |
107.6 |
-16.9 |
0.753 |
7 |
0 |
0 |
0.214 |
23 |
29 |
|
[SO4]A:505 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
18724 |
105.0 |
-20.6 |
0.483 |
3 |
0 |
0 |
0.235 |
24 |
30 |
|
[SO4]C:502 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
18254 |
103.8 |
-16.6 |
0.742 |
7 |
0 |
0 |
0.185 |
25 |
31 |
|
[SO4]F:502 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
17 |
9 |
18291 |
102.2 |
-16.1 |
0.751 |
7 |
0 |
0 |
0.180 |
26 |
32 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
18724 |
94.8 |
-12.7 |
0.863 |
3 |
0 |
0 |
0.150 |
27 |
33 |
|
E |
9 |
2 |
18003 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
18254 |
89.6 |
-1.0 |
0.359 |
0 |
0 |
0 |
0.007 |
34 |
|
F |
9 |
2 |
18291 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
18724 |
89.5 |
-1.0 |
0.356 |
0 |
0 |
0 |
0.007 |
Average: |
89.5 |
-1.0 |
0.358 |
0 |
0 |
0 |
0.007 |
28 |
35 |
|
F |
11 |
3 |
18291 |
◊ |
A |
-x+2,y-1,-z+1 |
2_746 |
12 |
7 |
18724 |
89.4 |
-2.3 |
0.132 |
0 |
0 |
0 |
0.008 |
29 |
36 |
|
[SO4]F:501 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
18291 |
88.2 |
-13.1 |
0.699 |
4 |
0 |
0 |
0.139 |
30 |
37 |
|
[SO4]C:501 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
18254 |
82.6 |
-12.3 |
0.716 |
4 |
0 |
0 |
0.132 |
31 |
38 |
|
[SO4]E:501 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
18003 |
82.0 |
-12.9 |
0.661 |
3 |
0 |
0 |
0.074 |
32 |
39 |
|
[SO4]A:501 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
18724 |
78.2 |
-11.9 |
0.669 |
4 |
0 |
0 |
0.147 |
33 |
40 |
|
[SO4]A:501 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
4808 |
69.2 |
-8.6 |
0.916 |
3 |
0 |
0 |
0.107 |
34 |
41 |
|
[SO4]A:504 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18724 |
69.0 |
-9.9 |
0.707 |
2 |
0 |
0 |
0.116 |
35 |
42 |
|
[SO4]A:504 |
5 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
18003 |
65.8 |
-9.5 |
0.693 |
1 |
0 |
0 |
0.051 |
36 |
43 |
|
[SO4]C:501 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
4575 |
64.1 |
-8.0 |
0.897 |
3 |
0 |
0 |
0.087 |
37 |
44 |
|
[SO4]E:501 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
9 |
3 |
4657 |
61.3 |
-7.5 |
0.905 |
3 |
0 |
0 |
0.045 |
38 |
45 |
|
[SO4]F:501 |
4 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
4531 |
61.1 |
-7.7 |
0.835 |
2 |
0 |
0 |
0.081 |
39 |
46 |
|
D |
8 |
3 |
4575 |
◊ |
I |
-x+2,y-1,-z |
2_745 |
3 |
1 |
4657 |
50.4 |
0.5 |
0.760 |
1 |
1 |
0 |
0.000 |
40 |
47 |
|
F |
7 |
2 |
18291 |
◊ |
C |
-x+2,y,-z |
2_755 |
4 |
2 |
18254 |
27.4 |
-0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
G |
4 |
2 |
4531 |
◊ |
B |
-x+2,y-1,-z+1 |
2_746 |
3 |
1 |
4808 |
26.9 |
-0.3 |
0.521 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
C |
1 |
1 |
18254 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
18003 |
14.5 |
0.4 |
0.882 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
F |
3 |
1 |
18291 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
3 |
1 |
18724 |
14.2 |
0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
[SO4]A:505 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4808 |
9.0 |
-1.0 |
0.804 |
0 |
0 |
0 |
0.010 |
45 |
52 |
|
F |
1 |
1 |
18291 |
◊ |
I |
x,y-1,z |
1_545 |
1 |
1 |
4657 |
4.3 |
0.2 |
0.810 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
G |
1 |
1 |
4531 |
◊ |
A |
-x+2,y-1,-z+1 |
2_746 |
1 |
1 |
18724 |
1.0 |
0.0 |
0.691 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
A |
1 |
1 |
18724 |
◊ |
F |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
18291 |
0.3 |
0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
|