## |
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 |
|
A |
55 |
22 |
9369 |
◊ |
B |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
51 |
18 |
9330 |
500.5 |
-5.6 |
0.283 |
2 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
54 |
13 |
9369 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
53 |
16 |
9635 |
486.3 |
-4.4 |
0.355 |
8 |
0 |
0 |
0.083 |
3 |
3 |
|
C |
54 |
17 |
9635 |
◊ |
A |
y,x,-z+1 |
7_556 |
53 |
16 |
9369 |
476.2 |
-5.5 |
0.251 |
4 |
0 |
0 |
0.068 |
4 |
4 |
|
B |
52 |
14 |
9330 |
x |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
51 |
18 |
9330 |
465.6 |
-3.6 |
0.505 |
7 |
0 |
0 |
0.000 |
5 |
5 |
|
C |
34 |
10 |
9635 |
◊ |
A |
x,y,z |
1_555 |
53 |
13 |
9369 |
390.7 |
1.6 |
0.785 |
8 |
0 |
0 |
0.000 |
6 |
6 |
|
C |
42 |
17 |
9635 |
◊ |
C |
y,x,-z+1 |
7_556 |
41 |
17 |
9635 |
386.3 |
-5.7 |
0.194 |
4 |
0 |
0 |
0.000 |
7 |
7 |
|
C |
40 |
11 |
9635 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
25 |
8 |
9330 |
275.2 |
1.6 |
0.790 |
5 |
0 |
0 |
0.000 |
8 |
8 |
|
C |
30 |
10 |
9635 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
29 |
10 |
9635 |
243.3 |
-0.8 |
0.603 |
2 |
2 |
0 |
0.013 |
9 |
9 |
|
[DBS]C:303 |
17 |
1 |
392 |
f |
C |
x,y,z |
1_555 |
37 |
13 |
9635 |
229.8 |
1.4 |
0.498 |
1 |
0 |
0 |
0.000 |
10 |
|
[DBS]B:302 |
17 |
1 |
391 |
f |
B |
x,y,z |
1_555 |
32 |
12 |
9330 |
229.5 |
1.7 |
0.559 |
2 |
0 |
0 |
0.000 |
11 |
|
[DBS]A:301 |
16 |
1 |
395 |
f |
A |
x,y,z |
1_555 |
32 |
12 |
9369 |
226.5 |
1.7 |
0.534 |
2 |
0 |
0 |
0.000 |
Average: |
228.6 |
1.6 |
0.530 |
2 |
0 |
0 |
0.000 |
10 |
12 |
|
B |
17 |
7 |
9330 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
9369 |
138.0 |
-0.9 |
0.520 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
B |
20 |
8 |
9330 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
14 |
6 |
9369 |
123.1 |
0.5 |
0.742 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[GOL]C:304 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
9635 |
108.6 |
-0.8 |
0.479 |
5 |
0 |
0 |
0.041 |
13 |
15 |
|
[GOL]C:305 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
9635 |
87.7 |
-0.5 |
0.499 |
3 |
0 |
0 |
0.024 |
14 |
16 |
|
[GOL]A:302 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9369 |
81.2 |
-0.6 |
0.483 |
0 |
0 |
0 |
0.007 |
15 |
17 |
|
[NA]A:180 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
10 |
9369 |
80.7 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.243 |
18 |
|
[NA]B:180 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
9330 |
78.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.243 |
19 |
|
[NA]C:184 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
10 |
9635 |
75.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.243 |
Average: |
78.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.243 |
16 |
20 |
|
[SO4]C:180 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
9635 |
70.8 |
-9.6 |
0.840 |
2 |
0 |
0 |
0.143 |
17 |
21 |
|
[SO4]A:179 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9369 |
69.5 |
-9.8 |
0.836 |
3 |
0 |
0 |
0.117 |
18 |
22 |
|
B |
11 |
5 |
9330 |
f |
[SO4]B:179 |
-y+3/2,x+1/2,z+1/4 |
3_655 |
4 |
1 |
185 |
69.5 |
-9.5 |
0.870 |
2 |
0 |
0 |
0.052 |
19 |
23 |
|
[SO4]C:179 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
9635 |
67.2 |
-9.8 |
0.646 |
1 |
0 |
0 |
0.139 |
20 |
24 |
|
[NA]C:183 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
9635 |
65.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.095 |
21 |
25 |
|
[SO4]C:181 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
9635 |
62.0 |
-8.5 |
0.744 |
2 |
0 |
0 |
0.127 |
22 |
26 |
|
[NA]C:182 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
9635 |
59.4 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.104 |
23 |
27 |
|
[SO4]C:179 |
5 |
1 |
184 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
5 |
2 |
9635 |
54.6 |
-6.0 |
0.796 |
0 |
0 |
0 |
0.082 |
24 |
28 |
|
[SO4]C:181 |
4 |
1 |
186 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
10 |
4 |
9635 |
50.2 |
-6.5 |
0.698 |
0 |
0 |
0 |
0.088 |
25 |
29 |
|
[GOL]C:304 |
4 |
1 |
217 |
◊ |
C |
y,x,-z+1 |
7_556 |
5 |
3 |
9635 |
43.0 |
0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[SO4]A:179 |
4 |
1 |
185 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
1 |
9635 |
39.1 |
-3.5 |
0.970 |
2 |
0 |
0 |
0.046 |
27 |
31 |
|
[SO4]C:180 |
4 |
1 |
185 |
◊ |
A |
y,x,-z+1 |
7_556 |
2 |
1 |
9369 |
38.3 |
-3.5 |
0.971 |
2 |
0 |
0 |
0.040 |
28 |
32 |
|
[SO4]B:179 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9330 |
36.7 |
-2.8 |
0.986 |
2 |
0 |
0 |
0.000 |
29 |
33 |
|
[GOL]A:302 |
1 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9330 |
2.1 |
-0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
|