## |
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 |
38 |
12442 |
◊ |
A |
x,y,z |
1_555 |
124 |
35 |
12830 |
1184.8 |
-17.9 |
0.061 |
15 |
2 |
0 |
0.334 |
2 |
|
B |
119 |
36 |
12497 |
◊ |
A |
x,y,z |
1_555 |
127 |
34 |
12830 |
1181.7 |
-18.2 |
0.057 |
16 |
2 |
0 |
0.334 |
3 |
|
C |
120 |
35 |
12442 |
◊ |
B |
x,y,z |
1_555 |
128 |
36 |
12497 |
1176.7 |
-17.0 |
0.084 |
16 |
2 |
0 |
0.334 |
Average: |
1181.1 |
-17.7 |
0.068 |
16 |
2 |
0 |
0.334 |
2 |
4 |
|
C |
114 |
30 |
12442 |
◊ |
A |
-y+2,-x+2,-z+5/2 |
8_777 |
112 |
30 |
12830 |
1100.7 |
-11.5 |
0.271 |
16 |
6 |
0 |
0.216 |
5 |
|
B |
109 |
29 |
12497 |
◊ |
B |
-y+2,-x+2,-z+5/2 |
8_777 |
106 |
29 |
12497 |
1077.5 |
-10.9 |
0.294 |
18 |
6 |
0 |
0.216 |
Average: |
1089.1 |
-11.2 |
0.283 |
17 |
6 |
0 |
0.216 |
3 |
6 |
|
C |
61 |
17 |
12442 |
◊ |
A |
-x+5/2,y-1/2,-z+9/4 |
5_747 |
56 |
17 |
12830 |
554.9 |
3.0 |
0.917 |
8 |
6 |
0 |
0.012 |
4 |
7 |
|
[CAA]A:305 |
43 |
1 |
1000 |
f |
A |
x,y,z |
1_555 |
47 |
19 |
12830 |
462.5 |
3.8 |
0.519 |
6 |
0 |
0 |
0.000 |
8 |
|
[CAA]B:303 |
45 |
1 |
1004 |
f |
B |
x,y,z |
1_555 |
44 |
18 |
12497 |
444.7 |
3.1 |
0.513 |
2 |
0 |
0 |
0.000 |
9 |
|
[CAA]C:303 |
43 |
1 |
973 |
f |
C |
x,y,z |
1_555 |
45 |
19 |
12442 |
441.5 |
2.4 |
0.506 |
6 |
0 |
0 |
0.000 |
Average: |
449.6 |
3.1 |
0.513 |
5 |
0 |
0 |
0.001 |
5 |
10 |
|
[GOL]A:307 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
12830 |
154.0 |
0.0 |
0.633 |
4 |
0 |
0 |
0.039 |
11 |
|
[GOL]B:305 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
12497 |
153.8 |
-0.0 |
0.645 |
4 |
0 |
0 |
0.039 |
Average: |
153.9 |
-0.0 |
0.639 |
4 |
0 |
0 |
0.039 |
6 |
12 |
|
[GOL]C:305 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
33 |
12 |
12442 |
152.8 |
-0.0 |
0.647 |
4 |
0 |
0 |
0.015 |
7 |
13 |
|
[GOL]B:304 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
24 |
16 |
12497 |
146.6 |
-0.7 |
0.571 |
5 |
0 |
0 |
0.063 |
14 |
|
[GOL]C:304 |
6 |
1 |
223 |
f |
C |
x,y,z |
1_555 |
25 |
16 |
12442 |
146.2 |
-0.7 |
0.580 |
5 |
0 |
0 |
0.063 |
15 |
|
[GOL]A:306 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
25 |
16 |
12830 |
145.5 |
-0.6 |
0.572 |
5 |
0 |
0 |
0.063 |
Average: |
146.1 |
-0.7 |
0.574 |
5 |
0 |
0 |
0.063 |
8 |
16 |
|
[SO4]A:303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
12830 |
108.0 |
-16.2 |
0.672 |
1 |
0 |
0 |
0.137 |
9 |
17 |
|
[GOL]A:308 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
12830 |
107.7 |
-0.5 |
0.521 |
2 |
0 |
0 |
0.011 |
10 |
18 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
12442 |
103.1 |
-15.8 |
0.761 |
4 |
0 |
0 |
0.145 |
11 |
19 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
12497 |
99.9 |
-15.2 |
0.725 |
4 |
0 |
0 |
0.370 |
12 |
20 |
|
[SO4]B:301 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12497 |
88.8 |
-13.4 |
0.854 |
7 |
0 |
0 |
0.360 |
13 |
21 |
|
[SO4]A:301 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12830 |
88.6 |
-13.1 |
0.854 |
6 |
0 |
0 |
0.130 |
14 |
22 |
|
[SO4]C:301 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
12442 |
88.3 |
-13.2 |
0.869 |
5 |
0 |
0 |
0.127 |
15 |
23 |
|
[SO4]A:302 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
12830 |
84.8 |
-12.7 |
0.639 |
0 |
0 |
0 |
0.105 |
16 |
24 |
|
[SO4]A:304 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
12830 |
78.6 |
-11.5 |
0.590 |
0 |
0 |
0 |
0.095 |
17 |
25 |
|
[SO4]A:302 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
12442 |
47.4 |
-5.9 |
0.726 |
1 |
0 |
0 |
0.028 |
18 |
26 |
|
C |
9 |
5 |
12442 |
◊ |
[SO4]A:304 |
-x+5/2,y-1/2,-z+9/4 |
5_747 |
5 |
1 |
187 |
47.3 |
-6.8 |
0.611 |
0 |
0 |
0 |
0.056 |
19 |
27 |
|
B |
5 |
2 |
12497 |
◊ |
A |
-y+2,-x+2,-z+5/2 |
8_777 |
3 |
2 |
12830 |
44.8 |
1.5 |
0.926 |
0 |
0 |
0 |
0.000 |
28 |
|
C |
3 |
2 |
12442 |
◊ |
C |
-y+2,-x+2,-z+5/2 |
8_777 |
3 |
2 |
12442 |
37.4 |
1.4 |
0.937 |
0 |
0 |
0 |
0.000 |
Average: |
41.1 |
1.4 |
0.932 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[SO4]A:304 |
2 |
1 |
187 |
f |
[SO4]A:303 |
x,y,z |
1_555 |
4 |
1 |
186 |
28.7 |
-6.6 |
0.979 |
0 |
0 |
0 |
0.055 |
21 |
30 |
|
C |
3 |
2 |
12442 |
◊ |
[SO4]A:303 |
-x+5/2,y-1/2,-z+9/4 |
5_747 |
2 |
1 |
186 |
21.3 |
-2.9 |
0.535 |
0 |
0 |
0 |
0.024 |
22 |
31 |
|
[GOL]B:305 |
3 |
1 |
223 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
12442 |
20.9 |
0.1 |
0.603 |
1 |
0 |
0 |
0.002 |
32 |
|
[GOL]A:307 |
2 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12497 |
19.7 |
0.3 |
0.675 |
1 |
0 |
0 |
0.002 |
Average: |
20.3 |
0.2 |
0.639 |
1 |
0 |
0 |
0.002 |
23 |
33 |
|
[GOL]C:305 |
2 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12830 |
18.7 |
0.2 |
0.666 |
1 |
0 |
0 |
0.001 |
24 |
34 |
|
[SO4]C:302 |
2 |
1 |
185 |
◊ |
A |
-x+5/2,y-1/2,-z+9/4 |
5_747 |
3 |
1 |
12830 |
16.1 |
-2.3 |
0.597 |
0 |
0 |
0 |
0.019 |
25 |
35 |
|
C |
3 |
1 |
12442 |
◊ |
[GOL]A:308 |
-x+5/2,y-1/2,-z+9/4 |
5_747 |
1 |
1 |
216 |
11.8 |
0.3 |
0.618 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[GOL]A:306 |
1 |
1 |
222 |
f |
[CAA]A:305 |
x,y,z |
1_555 |
1 |
1 |
1000 |
6.1 |
-0.0 |
0.486 |
0 |
0 |
0 |
0.000 |
37 |
|
[GOL]C:304 |
1 |
1 |
223 |
f |
[CAA]C:303 |
x,y,z |
1_555 |
1 |
1 |
973 |
3.2 |
-0.0 |
0.480 |
0 |
0 |
0 |
0.000 |
38 |
|
[GOL]B:304 |
1 |
1 |
222 |
f |
[CAA]B:303 |
x,y,z |
1_555 |
1 |
1 |
1004 |
1.3 |
-0.0 |
0.466 |
0 |
0 |
0 |
0.000 |
Average: |
3.5 |
-0.0 |
0.477 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[SO4]C:301 |
1 |
1 |
187 |
◊ |
A |
-x+5/2,y-1/2,-z+9/4 |
5_747 |
3 |
1 |
12830 |
6.0 |
-0.6 |
0.762 |
0 |
0 |
0 |
0.005 |
28 |
40 |
|
[SO4]C:302 |
2 |
1 |
185 |
◊ |
[SO4]A:304 |
-x+5/2,y-1/2,-z+9/4 |
5_747 |
3 |
1 |
187 |
5.6 |
-1.1 |
0.980 |
0 |
0 |
0 |
0.009 |
|