## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
397 |
132 |
49971 |
◊ |
A |
x,y,z |
1_555 |
391 |
115 |
54245 |
3663.9 |
-19.2 |
0.169 |
46 |
4 |
0 |
0.000 |
2 |
|
C |
78 |
20 |
6240 |
◊ |
A |
x,y,z |
1_555 |
69 |
19 |
54245 |
683.6 |
-7.4 |
0.178 |
11 |
3 |
0 |
0.057 |
3 |
|
B |
69 |
22 |
49971 |
◊ |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
66 |
20 |
54245 |
644.0 |
2.0 |
0.762 |
11 |
4 |
0 |
0.001 |
4 |
|
B |
54 |
16 |
49971 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
46 |
10 |
54245 |
472.4 |
-2.0 |
0.396 |
6 |
2 |
0 |
0.000 |
5 |
|
A |
51 |
16 |
54245 |
◊ |
A |
y,x,-z |
7_555 |
50 |
16 |
54245 |
455.6 |
1.8 |
0.801 |
6 |
2 |
0 |
0.000 |
6 |
|
[MES]B:1202 |
12 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
41 |
16 |
49971 |
233.3 |
5.4 |
0.338 |
0 |
0 |
0 |
0.000 |
7 |
|
B |
21 |
7 |
49971 |
◊ |
A |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
19 |
10 |
54245 |
193.5 |
-1.0 |
0.439 |
4 |
1 |
0 |
0.000 |
8 |
|
[MES]B:1203 |
12 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
49971 |
188.5 |
5.4 |
0.280 |
0 |
0 |
0 |
0.000 |
9 |
|
C |
18 |
7 |
6240 |
◊ |
C |
y,x,-z |
7_555 |
17 |
7 |
6240 |
167.4 |
-0.5 |
0.576 |
0 |
0 |
0 |
0.000 |
10 |
|
[MES]B:1205 |
12 |
1 |
337 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
49971 |
161.1 |
4.6 |
0.086 |
0 |
0 |
0 |
0.000 |
11 |
|
[MES]B:1204 |
11 |
1 |
324 |
f |
B |
x,y,z |
1_555 |
24 |
6 |
49971 |
144.0 |
3.0 |
0.112 |
0 |
0 |
0 |
0.000 |
12 |
|
[SO4]A:1299 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
54245 |
130.9 |
-17.8 |
0.647 |
4 |
0 |
0 |
0.088 |
13 |
|
[SO4]B:1195 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
49971 |
122.1 |
-19.4 |
0.572 |
3 |
0 |
0 |
0.024 |
14 |
|
[SO4]A:1307 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
54245 |
117.0 |
-16.4 |
0.735 |
2 |
0 |
0 |
0.078 |
15 |
|
[SO4]B:1196 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
49971 |
111.6 |
-14.4 |
0.892 |
3 |
0 |
0 |
0.018 |
16 |
|
C |
11 |
2 |
6240 |
◊ |
A |
y,x,-z |
7_555 |
12 |
6 |
54245 |
103.3 |
-1.5 |
0.271 |
0 |
0 |
0 |
0.000 |
17 |
|
[SO4]A:1302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
54245 |
96.9 |
-14.0 |
0.709 |
3 |
0 |
0 |
0.069 |
18 |
|
[SO4]A:1301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
54245 |
94.6 |
-13.7 |
0.487 |
2 |
0 |
0 |
0.065 |
19 |
|
[SO4]B:1198 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
49971 |
93.6 |
-11.3 |
0.878 |
3 |
0 |
0 |
0.015 |
20 |
|
[SO4]B:1201 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
49971 |
91.5 |
-11.1 |
0.907 |
4 |
0 |
0 |
0.015 |
21 |
|
[SO4]A:1309 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
54245 |
87.3 |
-12.7 |
0.637 |
1 |
0 |
0 |
0.059 |
22 |
|
[SO4]A:1308 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
54245 |
80.4 |
-11.5 |
0.562 |
1 |
0 |
0 |
0.053 |
23 |
|
[SO4]A:1304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
54245 |
80.2 |
-10.6 |
0.888 |
6 |
0 |
0 |
0.060 |
24 |
|
[SO4]A:1300 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
54245 |
80.1 |
-11.3 |
0.818 |
4 |
0 |
0 |
0.059 |
25 |
|
[SO4]A:1310 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
54245 |
79.4 |
-10.7 |
0.585 |
1 |
0 |
0 |
0.050 |
26 |
|
[SO4]B:1197 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
49971 |
76.6 |
-10.6 |
0.687 |
2 |
0 |
0 |
0.013 |
27 |
|
[SO4]A:1305 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
54245 |
75.5 |
-10.0 |
0.722 |
2 |
0 |
0 |
0.049 |
28 |
|
[SO4]A:1306 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
54245 |
74.4 |
-10.7 |
0.730 |
1 |
0 |
0 |
0.050 |
29 |
|
[SO4]C:144 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
6240 |
70.7 |
-7.5 |
0.936 |
1 |
0 |
0 |
0.100 |
30 |
|
[SO4]B:1200 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
49971 |
69.7 |
-10.0 |
0.698 |
4 |
0 |
0 |
0.014 |
31 |
|
[SO4]A:1303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
49971 |
65.5 |
-9.2 |
0.673 |
1 |
0 |
0 |
0.011 |
32 |
|
[SO4]B:1199 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
49971 |
63.8 |
-8.3 |
0.771 |
3 |
0 |
0 |
0.011 |
33 |
|
[SO4]A:1303 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
54245 |
62.5 |
-8.3 |
0.749 |
2 |
0 |
0 |
0.000 |
34 |
|
[SO4]B:1199 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
54245 |
54.7 |
-6.0 |
0.936 |
3 |
0 |
0 |
0.000 |
35 |
|
B |
6 |
2 |
49971 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
6 |
2 |
49971 |
54.2 |
-0.2 |
0.500 |
2 |
0 |
0 |
0.000 |
36 |
|
[ZN]A:1297 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
54245 |
50.0 |
-36.5 |
0.000 |
0 |
0 |
0 |
0.164 |
37 |
|
[CA]A:1298 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
54245 |
48.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.051 |
38 |
|
B |
6 |
2 |
49971 |
◊ |
C |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
8 |
4 |
6240 |
44.8 |
-0.5 |
0.463 |
0 |
0 |
0 |
0.000 |
39 |
|
B |
7 |
3 |
49971 |
◊ |
[SO4]A:1310 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
4 |
1 |
184 |
43.5 |
-5.2 |
0.732 |
1 |
0 |
0 |
0.002 |
40 |
|
[SO4]B:1200 |
4 |
1 |
185 |
◊ |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
2 |
54245 |
30.4 |
-3.2 |
0.832 |
0 |
0 |
0 |
0.001 |
41 |
|
[SO4]A:1304 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
49971 |
19.9 |
-2.2 |
0.902 |
0 |
0 |
0 |
0.000 |
42 |
|
B |
2 |
2 |
49971 |
◊ |
[SO4]A:1309 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
184 |
12.6 |
-1.7 |
0.541 |
0 |
0 |
0 |
0.000 |
43 |
|
[SO4]A:1301 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
49971 |
11.8 |
-1.2 |
0.867 |
0 |
0 |
0 |
0.000 |
44 |
|
[SO4]C:144 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
54245 |
9.6 |
-1.1 |
0.758 |
0 |
0 |
0 |
0.005 |
45 |
|
[SO4]B:1198 |
3 |
1 |
184 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
2 |
1 |
54245 |
8.6 |
-0.8 |
0.879 |
0 |
0 |
0 |
0.000 |
46 |
|
[SO4]C:144 |
1 |
1 |
185 |
◊ |
[SO4]A:1306 |
x,y,z |
1_555 |
2 |
1 |
186 |
8.4 |
-1.9 |
0.876 |
0 |
0 |
0 |
0.008 |
47 |
|
B |
1 |
1 |
49971 |
◊ |
B |
y,x,-z |
7_555 |
1 |
1 |
49971 |
3.5 |
0.3 |
0.836 |
0 |
0 |
0 |
0.000 |
48 |
|
B |
1 |
1 |
49971 |
◊ |
[CA]A:1298 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
85 |
3.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[SO4]B:1201 |
2 |
1 |
185 |
f |
[SO4]B:1195 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.8 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
|