## |
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 |
58 |
16 |
11492 |
◊ |
B |
x-1,y,z |
1_455 |
61 |
17 |
11209 |
578.5 |
-11.9 |
0.064 |
1 |
0 |
0 |
0.124 |
2 |
2 |
|
D |
52 |
13 |
10347 |
◊ |
A |
x,y,z |
1_555 |
53 |
13 |
11492 |
460.3 |
-5.7 |
0.407 |
2 |
0 |
0 |
0.074 |
3 |
|
C |
46 |
11 |
10724 |
◊ |
B |
x,y,z |
1_555 |
50 |
13 |
11209 |
415.8 |
-5.4 |
0.379 |
4 |
2 |
0 |
0.074 |
Average: |
438.0 |
-5.5 |
0.393 |
3 |
1 |
0 |
0.074 |
3 |
4 |
|
C |
50 |
16 |
10724 |
◊ |
A |
x,y,z |
1_555 |
49 |
18 |
11492 |
457.4 |
2.7 |
0.916 |
8 |
7 |
0 |
0.040 |
5 |
|
D |
50 |
16 |
10347 |
◊ |
B |
x,y,z |
1_555 |
51 |
15 |
11209 |
442.8 |
1.1 |
0.901 |
8 |
6 |
0 |
0.040 |
Average: |
450.1 |
1.9 |
0.909 |
8 |
7 |
0 |
0.040 |
4 |
6 |
|
B |
29 |
12 |
11209 |
◊ |
A |
-x+3,y-1/2,-z+1 |
2_846 |
38 |
10 |
11492 |
318.5 |
-0.6 |
0.699 |
3 |
3 |
0 |
0.000 |
5 |
7 |
|
[IDS]B:1256 |
11 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
11492 |
148.4 |
1.5 |
0.664 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
[IDS]B:1254 |
13 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
11209 |
145.4 |
2.7 |
0.810 |
4 |
0 |
0 |
0.000 |
7 |
9 |
|
[SO4]B:1258 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
11209 |
140.7 |
-20.4 |
0.649 |
2 |
0 |
0 |
0.249 |
8 |
10 |
|
[SO4]A:1254 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
11492 |
129.5 |
-20.9 |
0.492 |
1 |
0 |
0 |
0.234 |
9 |
11 |
|
[SGN]B:1255 |
8 |
1 |
434 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
11209 |
114.9 |
1.2 |
0.446 |
3 |
0 |
0 |
0.002 |
10 |
12 |
|
[SO4]A:1253 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
11492 |
91.9 |
-13.5 |
0.773 |
3 |
0 |
0 |
0.163 |
11 |
13 |
|
[IDS]B:1254 |
11 |
1 |
361 |
cf |
[SGN]B:1255 |
x,y,z |
1_555 |
10 |
1 |
434 |
84.3 |
0.8 |
0.323 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
[SO4]B:1257 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
11209 |
83.7 |
-11.4 |
0.786 |
0 |
0 |
0 |
0.134 |
13 |
15 |
|
[SO4]D:1251 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
10347 |
83.1 |
-12.0 |
0.859 |
0 |
0 |
0 |
0.141 |
14 |
16 |
|
D |
9 |
4 |
10347 |
x |
D |
-x+3,y-1/2,-z |
2_845 |
11 |
5 |
10347 |
81.7 |
-0.2 |
0.660 |
2 |
0 |
0 |
0.000 |
15 |
17 |
|
[SGN]B:1253 |
9 |
1 |
446 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
11209 |
80.8 |
1.4 |
0.424 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[IDS]B:1256 |
10 |
1 |
360 |
cf |
[SGN]B:1255 |
x,y,z |
1_555 |
9 |
1 |
434 |
78.3 |
1.3 |
0.175 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[SO4]D:1253 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
10347 |
78.1 |
-10.8 |
0.792 |
0 |
0 |
0 |
0.126 |
18 |
20 |
|
[SO4]A:1255 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
10724 |
77.5 |
-11.0 |
0.743 |
0 |
0 |
0 |
0.120 |
19 |
21 |
|
[SO4]C:1253 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11492 |
77.2 |
-10.5 |
0.735 |
0 |
0 |
0 |
0.115 |
20 |
22 |
|
[IDS]B:1254 |
10 |
1 |
361 |
cf |
[SGN]B:1253 |
x,y,z |
1_555 |
9 |
1 |
446 |
73.5 |
1.6 |
0.193 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[SO4]D:1252 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
11209 |
71.0 |
-9.1 |
0.773 |
0 |
0 |
0 |
0.106 |
22 |
24 |
|
[SGN]B:1255 |
8 |
1 |
434 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11492 |
56.6 |
1.4 |
0.258 |
1 |
0 |
0 |
0.000 |
23 |
25 |
|
[SO4]C:1253 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
5 |
4 |
10724 |
49.1 |
-5.6 |
0.953 |
1 |
0 |
0 |
0.066 |
24 |
26 |
|
[SO4]A:1255 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
11492 |
43.9 |
-5.0 |
0.939 |
0 |
0 |
0 |
0.055 |
25 |
27 |
|
[SO4]C:1255 |
4 |
1 |
187 |
f |
[SO4]C:1254 |
x,y,z |
1_555 |
4 |
1 |
186 |
42.4 |
-9.4 |
0.998 |
0 |
0 |
0 |
0.103 |
26 |
28 |
|
[SO4]D:1252 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
4 |
10347 |
40.4 |
-4.1 |
0.957 |
1 |
0 |
0 |
0.053 |
27 |
29 |
|
B |
4 |
1 |
11209 |
◊ |
C |
-x+2,y-1/2,-z |
2_745 |
6 |
4 |
10724 |
40.3 |
-0.3 |
0.555 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[SO4]D:1253 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
11209 |
39.2 |
-4.1 |
0.964 |
2 |
0 |
0 |
0.058 |
29 |
31 |
|
[SO4]C:1255 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
10724 |
38.2 |
-5.1 |
0.581 |
0 |
0 |
0 |
0.056 |
30 |
32 |
|
[SO4]D:1252 |
4 |
1 |
186 |
◊ |
[SO4]D:1251 |
x,y,z |
1_555 |
4 |
1 |
186 |
29.9 |
-6.5 |
0.998 |
0 |
0 |
0 |
0.077 |
31 |
33 |
|
[SO4]A:1253 |
4 |
1 |
187 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
11209 |
29.2 |
-3.6 |
0.539 |
0 |
0 |
0 |
0.036 |
32 |
34 |
|
A |
3 |
2 |
11492 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
2 |
10724 |
26.4 |
0.5 |
0.810 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[SGN]B:1253 |
3 |
1 |
446 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11492 |
25.7 |
-0.2 |
0.286 |
0 |
0 |
0 |
0.001 |
34 |
36 |
|
[IDS]B:1256 |
3 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
11209 |
24.9 |
-0.6 |
0.508 |
0 |
0 |
0 |
0.007 |
35 |
37 |
|
[SO4]C:1253 |
3 |
1 |
187 |
◊ |
[SO4]A:1255 |
x,y,z |
1_555 |
4 |
1 |
186 |
24.7 |
-5.6 |
0.995 |
0 |
0 |
0 |
0.061 |
36 |
38 |
|
[SO4]D:1253 |
4 |
1 |
186 |
◊ |
[SO4]D:1252 |
x,y,z |
1_555 |
2 |
1 |
186 |
24.3 |
-5.5 |
0.979 |
0 |
0 |
0 |
0.065 |
37 |
39 |
|
[IDS]B:1256 |
3 |
1 |
360 |
f |
[IDS]B:1254 |
x,y,z |
1_555 |
3 |
1 |
361 |
17.5 |
-0.5 |
0.396 |
0 |
0 |
0 |
0.006 |
38 |
40 |
|
B |
2 |
2 |
11209 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
11492 |
4.6 |
0.2 |
0.739 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[SO4]C:1254 |
1 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
10724 |
3.6 |
-0.5 |
0.638 |
0 |
0 |
0 |
0.005 |
|