## |
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 |
|
H |
180 |
49 |
14450 |
◊ |
G |
x,y,z |
1_555 |
162 |
42 |
14039 |
1593.8 |
-20.3 |
0.036 |
20 |
3 |
0 |
0.599 |
2 |
|
F |
172 |
48 |
14092 |
◊ |
E |
x,y,z |
1_555 |
159 |
41 |
14082 |
1531.2 |
-21.4 |
0.018 |
17 |
4 |
0 |
0.599 |
3 |
|
D |
163 |
46 |
14231 |
◊ |
C |
x,y,z |
1_555 |
155 |
40 |
14218 |
1491.9 |
-21.7 |
0.012 |
14 |
5 |
0 |
0.599 |
4 |
|
B |
158 |
44 |
14143 |
◊ |
A |
x,y,z |
1_555 |
153 |
40 |
14214 |
1479.2 |
-22.0 |
0.010 |
13 |
5 |
0 |
0.599 |
Average: |
1524.0 |
-21.4 |
0.019 |
16 |
4 |
0 |
0.599 |
2 |
5 |
|
H |
87 |
23 |
14450 |
◊ |
C |
x,y,z |
1_555 |
68 |
19 |
14218 |
710.3 |
0.6 |
0.608 |
10 |
2 |
0 |
0.000 |
6 |
|
F |
82 |
22 |
14092 |
◊ |
A |
x,y,z |
1_555 |
65 |
19 |
14214 |
690.4 |
-0.6 |
0.561 |
10 |
2 |
0 |
0.000 |
Average: |
700.4 |
-0.0 |
0.585 |
10 |
2 |
0 |
0.000 |
3 |
7 |
|
D |
68 |
20 |
14231 |
◊ |
B |
x,y,z |
1_555 |
69 |
20 |
14143 |
633.8 |
1.7 |
0.723 |
10 |
0 |
0 |
0.000 |
4 |
8 |
|
D |
43 |
15 |
14231 |
◊ |
C |
x-1,y,z |
1_455 |
36 |
7 |
14218 |
311.7 |
-4.3 |
0.196 |
1 |
0 |
0 |
0.010 |
9 |
|
E |
40 |
8 |
14082 |
◊ |
F |
x,y-1,z |
1_545 |
35 |
14 |
14092 |
288.1 |
-1.0 |
0.442 |
3 |
0 |
0 |
0.010 |
10 |
|
A |
35 |
7 |
14214 |
◊ |
B |
x,y-1,z |
1_545 |
35 |
15 |
14143 |
285.6 |
-3.3 |
0.253 |
1 |
0 |
0 |
0.010 |
11 |
|
H |
33 |
14 |
14450 |
◊ |
G |
x-1,y,z |
1_455 |
38 |
8 |
14039 |
281.9 |
-1.1 |
0.443 |
2 |
0 |
0 |
0.010 |
Average: |
291.8 |
-2.4 |
0.334 |
2 |
0 |
0 |
0.010 |
5 |
12 |
|
F |
24 |
8 |
14092 |
◊ |
A |
x-1,y,z |
1_455 |
27 |
12 |
14214 |
272.5 |
-1.9 |
0.355 |
2 |
2 |
0 |
0.000 |
13 |
|
C |
27 |
12 |
14218 |
◊ |
H |
x,y-1,z |
1_545 |
24 |
8 |
14450 |
256.4 |
-1.7 |
0.380 |
2 |
2 |
0 |
0.000 |
Average: |
264.5 |
-1.8 |
0.367 |
2 |
2 |
0 |
0.000 |
6 |
14 |
|
E |
15 |
9 |
14082 |
◊ |
G |
x-1,y-1,z+1 |
1_446 |
17 |
9 |
14039 |
174.9 |
-1.3 |
0.376 |
1 |
0 |
0 |
0.000 |
7 |
15 |
|
[SO4]A:1845 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14214 |
116.5 |
-16.9 |
0.746 |
5 |
0 |
0 |
0.401 |
8 |
16 |
|
[SO4]C:1845 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
14218 |
114.0 |
-16.3 |
0.733 |
6 |
0 |
0 |
0.305 |
9 |
17 |
|
[SO4]E:1845 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
14082 |
113.7 |
-16.3 |
0.733 |
4 |
0 |
0 |
0.212 |
10 |
18 |
|
[SO4]G:1845 |
5 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
16 |
6 |
14039 |
110.5 |
-17.7 |
0.757 |
6 |
0 |
0 |
0.189 |
11 |
19 |
|
[SO4]H:1289 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
20 |
8 |
14450 |
101.7 |
-15.3 |
0.684 |
2 |
0 |
0 |
0.150 |
12 |
20 |
|
[SO4]F:1289 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
21 |
8 |
14092 |
100.4 |
-15.0 |
0.688 |
2 |
0 |
0 |
0.186 |
13 |
21 |
|
[SO4]H:1288 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
14 |
6 |
14450 |
87.8 |
-13.5 |
0.722 |
4 |
0 |
0 |
0.142 |
14 |
22 |
|
[SO4]F:1288 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
14092 |
86.6 |
-13.4 |
0.723 |
2 |
0 |
0 |
0.167 |
15 |
23 |
|
D |
11 |
6 |
14231 |
f |
[SO4]C:1847 |
x-1,y,z |
1_455 |
5 |
1 |
185 |
86.4 |
-11.9 |
0.831 |
6 |
0 |
0 |
0.234 |
16 |
24 |
|
[SO4]H:1290 |
5 |
1 |
185 |
f |
H |
x,y,z |
1_555 |
12 |
3 |
14450 |
80.4 |
-9.1 |
0.911 |
1 |
0 |
0 |
0.088 |
17 |
25 |
|
[SO4]H:1291 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
9 |
3 |
14450 |
66.4 |
-9.3 |
0.688 |
1 |
0 |
0 |
0.091 |
18 |
26 |
|
E |
7 |
2 |
14082 |
◊ |
F |
x-1,y-1,z |
1_445 |
7 |
3 |
14092 |
58.0 |
1.6 |
0.850 |
0 |
0 |
0 |
0.000 |
27 |
|
H |
7 |
3 |
14450 |
◊ |
G |
x-1,y-1,z |
1_445 |
6 |
2 |
14039 |
55.0 |
1.5 |
0.851 |
0 |
0 |
0 |
0.000 |
Average: |
56.5 |
1.5 |
0.851 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[SO4]C:1847 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
14218 |
56.9 |
-7.1 |
0.752 |
0 |
0 |
0 |
0.016 |
20 |
29 |
|
[SO4]F:1289 |
2 |
1 |
186 |
f |
[SO4]F:1288 |
x,y,z |
1_555 |
3 |
1 |
185 |
32.4 |
-7.6 |
0.976 |
0 |
0 |
0 |
0.089 |
21 |
30 |
|
[SO4]H:1289 |
3 |
1 |
184 |
f |
[SO4]H:1288 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.8 |
-6.8 |
0.992 |
0 |
0 |
0 |
0.063 |
22 |
31 |
|
B |
2 |
2 |
14143 |
x |
B |
x-1,y,z |
1_455 |
3 |
2 |
14143 |
15.2 |
0.8 |
0.844 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
3 |
2 |
14231 |
x |
D |
x,y-1,z |
1_545 |
2 |
2 |
14231 |
13.5 |
0.7 |
0.830 |
0 |
0 |
0 |
0.000 |
Average: |
14.4 |
0.7 |
0.837 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
F |
2 |
2 |
14092 |
x |
F |
x-1,y,z |
1_455 |
3 |
2 |
14092 |
5.6 |
0.4 |
0.800 |
0 |
0 |
0 |
0.000 |
34 |
|
H |
1 |
1 |
14450 |
x |
H |
x,y-1,z |
1_545 |
1 |
1 |
14450 |
4.3 |
0.3 |
0.865 |
0 |
0 |
0 |
0.000 |
Average: |
5.0 |
0.4 |
0.833 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
D |
1 |
1 |
14231 |
◊ |
B |
x-1,y-1,z |
1_445 |
1 |
1 |
14143 |
3.4 |
0.1 |
0.555 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
H |
1 |
1 |
14450 |
◊ |
[SO4]H:1291 |
x,y-1,z |
1_545 |
1 |
1 |
184 |
2.7 |
-0.4 |
0.636 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[SO4]H:1289 |
1 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
14039 |
1.6 |
-0.2 |
0.859 |
0 |
0 |
0 |
0.002 |
27 |
38 |
|
[SO4]F:1289 |
1 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
14082 |
0.4 |
-0.1 |
0.831 |
0 |
0 |
0 |
0.000 |
|