## |
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 |
151 |
34 |
10740 |
◊ |
A |
x,y,z |
1_555 |
157 |
39 |
10726 |
1578.8 |
-34.7 |
0.000 |
6 |
4 |
0 |
0.594 |
2 |
2 |
|
F |
148 |
35 |
10765 |
◊ |
E |
x,y,z |
1_555 |
156 |
33 |
10832 |
1524.3 |
-36.4 |
0.000 |
5 |
0 |
0 |
0.757 |
3 |
|
D |
148 |
34 |
10777 |
◊ |
C |
x,y,z |
1_555 |
147 |
35 |
10712 |
1483.3 |
-36.3 |
0.000 |
3 |
0 |
0 |
0.757 |
4 |
|
H |
146 |
34 |
10868 |
◊ |
G |
x,y,z |
1_555 |
139 |
33 |
10641 |
1482.6 |
-35.5 |
0.000 |
5 |
0 |
0 |
0.757 |
Average: |
1496.7 |
-36.1 |
0.000 |
4 |
0 |
0 |
0.757 |
3 |
5 |
|
E |
68 |
21 |
10832 |
◊ |
C |
x,-y,-z |
4_555 |
64 |
18 |
10712 |
673.4 |
-2.9 |
0.477 |
6 |
3 |
0 |
0.000 |
6 |
|
H |
66 |
20 |
10868 |
◊ |
A |
-x+2,-y+1,z-1/2 |
2_764 |
72 |
20 |
10726 |
673.4 |
-0.0 |
0.696 |
8 |
5 |
0 |
0.000 |
Average: |
673.4 |
-1.4 |
0.587 |
7 |
4 |
0 |
0.000 |
4 |
7 |
|
G |
67 |
19 |
10641 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
65 |
19 |
10740 |
671.3 |
-0.8 |
0.592 |
5 |
6 |
0 |
0.000 |
8 |
|
F |
62 |
16 |
10765 |
◊ |
D |
x,y,z |
1_555 |
61 |
18 |
10777 |
632.4 |
-1.4 |
0.612 |
4 |
2 |
0 |
0.000 |
Average: |
651.9 |
-1.1 |
0.602 |
5 |
4 |
0 |
0.000 |
5 |
9 |
|
H |
57 |
12 |
10868 |
◊ |
B |
-x+2,-y+1,z-1/2 |
2_764 |
55 |
16 |
10740 |
497.0 |
1.2 |
0.747 |
3 |
3 |
0 |
0.000 |
6 |
10 |
|
E |
54 |
12 |
10832 |
◊ |
E |
-x+1,y,-z+1/2 |
3_655 |
53 |
12 |
10832 |
434.0 |
-0.3 |
0.646 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
G |
48 |
12 |
10641 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
49 |
16 |
10726 |
420.6 |
2.7 |
0.806 |
4 |
5 |
0 |
0.000 |
8 |
12 |
|
E |
51 |
11 |
10832 |
◊ |
D |
x,-y,-z |
4_555 |
49 |
17 |
10777 |
419.7 |
0.3 |
0.696 |
5 |
7 |
0 |
0.000 |
9 |
13 |
|
H |
52 |
12 |
10868 |
◊ |
H |
x,-y+1,-z |
4_565 |
52 |
12 |
10868 |
394.5 |
-1.3 |
0.598 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
H |
46 |
13 |
10868 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
46 |
10 |
10740 |
375.7 |
0.1 |
0.639 |
3 |
4 |
0 |
0.000 |
11 |
15 |
|
E |
44 |
14 |
10832 |
◊ |
D |
x,y,z |
1_555 |
42 |
10 |
10777 |
369.0 |
2.3 |
0.814 |
6 |
5 |
0 |
0.000 |
12 |
16 |
|
G |
41 |
15 |
10641 |
◊ |
F |
x,y,z |
1_555 |
47 |
15 |
10765 |
362.0 |
6.0 |
0.932 |
5 |
6 |
0 |
0.000 |
13 |
17 |
|
D |
35 |
7 |
10777 |
◊ |
B |
x,-y+1,-z |
4_565 |
37 |
7 |
10740 |
331.9 |
0.1 |
0.654 |
3 |
6 |
0 |
0.000 |
14 |
18 |
|
G |
37 |
8 |
10641 |
◊ |
D |
-x+1,y,-z-1/2 |
3_654 |
28 |
10 |
10777 |
300.0 |
-6.9 |
0.044 |
1 |
0 |
0 |
0.055 |
15 |
19 |
|
H |
27 |
7 |
10868 |
◊ |
E |
x,y,z |
1_555 |
35 |
9 |
10832 |
287.8 |
4.9 |
0.929 |
3 |
8 |
0 |
0.000 |
16 |
20 |
|
H |
27 |
9 |
10868 |
◊ |
C |
-x+1,y,-z-1/2 |
3_654 |
27 |
8 |
10712 |
281.0 |
1.7 |
0.727 |
4 |
3 |
0 |
0.004 |
21 |
|
E |
25 |
10 |
10832 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
10726 |
232.0 |
0.3 |
0.659 |
1 |
2 |
0 |
0.004 |
Average: |
256.5 |
1.0 |
0.693 |
3 |
3 |
0 |
0.004 |
17 |
22 |
|
H |
20 |
9 |
10868 |
◊ |
D |
-x+1,y,-z-1/2 |
3_654 |
28 |
9 |
10777 |
240.6 |
-7.1 |
0.024 |
1 |
0 |
0 |
0.056 |
18 |
23 |
|
B |
26 |
11 |
10740 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
26 |
11 |
10740 |
231.0 |
6.2 |
0.959 |
2 |
2 |
0 |
0.000 |
19 |
24 |
|
F |
23 |
9 |
10765 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
10740 |
224.5 |
-3.7 |
0.186 |
0 |
1 |
0 |
0.003 |
20 |
25 |
|
F |
26 |
7 |
10765 |
◊ |
F |
-x+1,y,-z+1/2 |
3_655 |
26 |
7 |
10765 |
223.4 |
3.1 |
0.880 |
6 |
2 |
0 |
0.000 |
21 |
26 |
|
E |
23 |
8 |
10832 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
10740 |
208.9 |
-5.7 |
0.049 |
0 |
0 |
0 |
0.004 |
22 |
27 |
|
F |
18 |
5 |
10765 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
10726 |
169.7 |
-3.2 |
0.157 |
0 |
0 |
0 |
0.002 |
23 |
28 |
|
D |
11 |
4 |
10777 |
◊ |
A |
x,-y+1,-z |
4_565 |
16 |
5 |
10726 |
128.5 |
-0.5 |
0.543 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
G |
9 |
5 |
10641 |
◊ |
C |
-x+1,y,-z-1/2 |
3_654 |
11 |
6 |
10712 |
115.9 |
-3.4 |
0.059 |
0 |
0 |
0 |
0.025 |
25 |
30 |
|
D |
16 |
6 |
10777 |
◊ |
D |
-x+1,y,-z-1/2 |
3_654 |
16 |
6 |
10777 |
107.6 |
-0.2 |
0.617 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
H |
19 |
4 |
10868 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
10777 |
102.4 |
-0.1 |
0.607 |
1 |
0 |
0 |
0.000 |
32 |
|
E |
12 |
5 |
10832 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
9 |
4 |
10740 |
84.5 |
2.1 |
0.858 |
2 |
0 |
0 |
0.000 |
Average: |
93.4 |
1.0 |
0.732 |
2 |
0 |
0 |
0.000 |
27 |
33 |
|
D |
13 |
5 |
10777 |
◊ |
C |
-x+1,y,-z-1/2 |
3_654 |
12 |
4 |
10712 |
94.0 |
-0.8 |
0.497 |
1 |
0 |
0 |
0.000 |
28 |
34 |
|
H |
8 |
4 |
10868 |
◊ |
B |
-x+1,-y+1,z-1/2 |
2_664 |
12 |
4 |
10740 |
88.1 |
-1.5 |
0.303 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[SO4]C:204 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
10712 |
88.0 |
-13.0 |
0.808 |
3 |
0 |
0 |
0.219 |
30 |
36 |
|
[SO4]D:201 |
4 |
1 |
193 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
10777 |
84.4 |
-11.7 |
0.831 |
4 |
0 |
0 |
0.206 |
31 |
37 |
|
[SO4]A:206 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10726 |
84.1 |
-12.1 |
0.755 |
2 |
0 |
0 |
0.203 |
32 |
38 |
|
[SO4]B:202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
10740 |
82.9 |
-11.2 |
0.869 |
4 |
0 |
0 |
0.203 |
33 |
39 |
|
G |
8 |
2 |
10641 |
◊ |
E |
x,y,z |
1_555 |
12 |
4 |
10832 |
82.0 |
-0.0 |
0.610 |
2 |
0 |
0 |
0.000 |
40 |
|
H |
8 |
4 |
10868 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
10765 |
67.4 |
0.1 |
0.655 |
0 |
0 |
0 |
0.000 |
Average: |
74.7 |
0.0 |
0.632 |
1 |
0 |
0 |
0.000 |
34 |
41 |
|
[SO4]F:205 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
10765 |
81.8 |
-11.2 |
0.833 |
4 |
0 |
0 |
0.252 |
35 |
42 |
|
[SO4]G:203 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
11 |
4 |
10641 |
80.8 |
-11.2 |
0.795 |
2 |
0 |
0 |
0.243 |
36 |
43 |
|
G |
8 |
3 |
10641 |
◊ |
A |
-x+1,-y+1,z-1/2 |
2_664 |
8 |
2 |
10726 |
62.4 |
-0.5 |
0.497 |
0 |
1 |
0 |
0.000 |
37 |
44 |
|
B |
8 |
2 |
10740 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
9 |
2 |
10726 |
53.4 |
-0.2 |
0.544 |
1 |
0 |
0 |
0.000 |
38 |
45 |
|
F |
3 |
1 |
10765 |
◊ |
C |
x,-y+1,-z |
4_565 |
5 |
2 |
10712 |
49.0 |
-0.4 |
0.109 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
F |
4 |
2 |
10765 |
◊ |
A |
-x+2,-y+1,z-1/2 |
2_764 |
3 |
1 |
10726 |
42.0 |
0.4 |
0.639 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
E |
5 |
2 |
10832 |
◊ |
D |
x,-y+1,-z |
4_565 |
3 |
1 |
10777 |
40.9 |
-0.2 |
0.482 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
F |
2 |
2 |
10765 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
2 |
1 |
10740 |
21.9 |
0.3 |
0.782 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
C |
2 |
1 |
10712 |
◊ |
B |
x,-y+1,-z |
4_565 |
1 |
1 |
10740 |
15.1 |
-0.1 |
0.499 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
G |
3 |
1 |
10641 |
◊ |
G |
x,-y+1,-z |
4_565 |
3 |
1 |
10641 |
13.8 |
1.2 |
0.881 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
H |
1 |
1 |
10868 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
3 |
1 |
10726 |
13.2 |
0.7 |
0.837 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
F |
3 |
1 |
10765 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
10712 |
11.5 |
-0.2 |
0.552 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
H |
1 |
1 |
10868 |
◊ |
H |
-x+2,y,-z+1/2 |
3_755 |
1 |
1 |
10868 |
9.0 |
-0.3 |
0.277 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
B |
1 |
1 |
10740 |
◊ |
B |
-x+2,y,-z+3/2 |
3_756 |
1 |
1 |
10740 |
8.6 |
-0.3 |
0.277 |
0 |
0 |
0 |
0.000 |
55 |
|
E |
1 |
1 |
10832 |
◊ |
E |
x,-y,-z |
4_555 |
1 |
1 |
10832 |
7.5 |
-0.2 |
0.301 |
0 |
0 |
0 |
0.000 |
56 |
|
D |
1 |
1 |
10777 |
◊ |
D |
x,-y,-z |
4_555 |
1 |
1 |
10777 |
6.5 |
-0.2 |
0.342 |
0 |
0 |
0 |
0.000 |
Average: |
7.6 |
-0.2 |
0.307 |
0 |
0 |
0 |
0.000 |
48 |
57 |
|
[SO4]F:205 |
1 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
10641 |
3.6 |
-0.3 |
0.909 |
0 |
0 |
0 |
0.000 |
|