## |
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 |
|
D |
171 |
36 |
8328 |
◊ |
C |
x,y,z |
1_555 |
168 |
36 |
8003 |
1541.1 |
-13.8 |
0.127 |
20 |
22 |
0 |
0.225 |
2 |
|
B |
161 |
36 |
8238 |
◊ |
A |
x,y,z |
1_555 |
169 |
36 |
8012 |
1536.7 |
-14.2 |
0.112 |
18 |
18 |
0 |
0.225 |
Average: |
1538.9 |
-14.0 |
0.119 |
19 |
20 |
0 |
0.225 |
2 |
3 |
|
C |
52 |
15 |
8003 |
◊ |
A |
x,y,z |
1_555 |
54 |
16 |
8012 |
526.5 |
-1.8 |
0.511 |
8 |
8 |
0 |
0.005 |
4 |
|
D |
53 |
16 |
8328 |
◊ |
B |
x,y,z |
1_555 |
54 |
16 |
8238 |
523.5 |
-1.7 |
0.474 |
8 |
8 |
0 |
0.005 |
Average: |
525.0 |
-1.8 |
0.492 |
8 |
8 |
0 |
0.005 |
3 |
5 |
|
[AKV]A:1335 |
30 |
1 |
585 |
f |
A |
x,y,z |
1_555 |
72 |
24 |
8012 |
438.6 |
-7.7 |
0.272 |
4 |
0 |
0 |
0.168 |
6 |
|
[AKV]B:1334 |
30 |
1 |
589 |
f |
B |
x,y,z |
1_555 |
65 |
24 |
8238 |
435.3 |
-7.3 |
0.263 |
4 |
0 |
0 |
0.168 |
Average: |
436.9 |
-7.5 |
0.267 |
4 |
0 |
0 |
0.168 |
4 |
7 |
|
[AKV]D:1336 |
30 |
1 |
584 |
f |
D |
x,y,z |
1_555 |
64 |
25 |
8328 |
433.8 |
-6.7 |
0.210 |
2 |
0 |
0 |
0.115 |
8 |
|
[AKV]C:1333 |
30 |
1 |
573 |
f |
C |
x,y,z |
1_555 |
64 |
24 |
8003 |
428.1 |
-6.2 |
0.310 |
2 |
0 |
0 |
0.115 |
Average: |
430.9 |
-6.5 |
0.260 |
2 |
0 |
0 |
0.115 |
5 |
9 |
|
A |
41 |
11 |
8012 |
◊ |
B |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
44 |
16 |
8238 |
370.9 |
-3.2 |
0.322 |
2 |
2 |
0 |
0.000 |
6 |
10 |
|
D |
35 |
9 |
8328 |
x |
D |
-y,x-y,z |
2_555 |
39 |
13 |
8328 |
300.8 |
-3.0 |
0.240 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
B |
32 |
9 |
8238 |
◊ |
D |
-y,x-y,z |
2_555 |
23 |
11 |
8328 |
241.8 |
2.5 |
0.676 |
4 |
5 |
0 |
0.000 |
8 |
12 |
|
C |
24 |
6 |
8003 |
◊ |
B |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
21 |
9 |
8238 |
211.9 |
3.0 |
0.817 |
3 |
7 |
0 |
0.000 |
9 |
13 |
|
[SO4]D:1281 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
8328 |
76.0 |
-10.7 |
0.809 |
3 |
0 |
0 |
0.094 |
10 |
14 |
|
[SO4]D:1284 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
8328 |
75.8 |
-9.4 |
0.866 |
4 |
0 |
0 |
0.087 |
11 |
15 |
|
[SO4]C:1285 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
8003 |
74.8 |
-9.9 |
0.884 |
3 |
0 |
0 |
0.088 |
12 |
16 |
|
[SO4]B:1283 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
8238 |
74.5 |
-11.2 |
0.705 |
3 |
0 |
0 |
0.114 |
13 |
17 |
|
[SO4]B:1278 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
8238 |
65.2 |
-9.3 |
0.701 |
1 |
0 |
0 |
0.088 |
14 |
18 |
|
[SO4]D:1276 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
8328 |
64.5 |
-9.2 |
0.671 |
2 |
0 |
0 |
0.079 |
15 |
19 |
|
[SO4]A:1279 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
8012 |
64.5 |
-9.0 |
0.718 |
2 |
0 |
0 |
0.089 |
16 |
20 |
|
[SO4]C:1280 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
8003 |
61.6 |
-8.5 |
0.739 |
3 |
0 |
0 |
0.077 |
17 |
21 |
|
[SO4]A:1282 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
8012 |
60.9 |
-8.6 |
0.748 |
3 |
0 |
0 |
0.090 |
18 |
22 |
|
[SO4]C:1277 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
8003 |
60.0 |
-8.3 |
0.704 |
2 |
0 |
0 |
0.071 |
19 |
23 |
|
[SO4]B:1286 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8238 |
57.4 |
-7.4 |
0.848 |
3 |
0 |
0 |
0.079 |
20 |
24 |
|
D |
5 |
1 |
8328 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
8012 |
55.3 |
0.7 |
0.782 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
6 |
2 |
8003 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
8238 |
54.7 |
0.7 |
0.776 |
0 |
0 |
0 |
0.000 |
Average: |
55.0 |
0.7 |
0.779 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[SO4]C:1285 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
8328 |
53.4 |
-6.3 |
0.770 |
2 |
0 |
0 |
0.057 |
22 |
27 |
|
[SO4]B:1286 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
8012 |
52.4 |
-6.1 |
0.791 |
2 |
0 |
0 |
0.063 |
23 |
28 |
|
[SO4]D:1284 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
8003 |
51.3 |
-5.9 |
0.773 |
2 |
0 |
0 |
0.053 |
24 |
29 |
|
[AKV]C:1333 |
7 |
1 |
573 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
8328 |
47.5 |
0.9 |
0.623 |
0 |
0 |
0 |
0.000 |
30 |
|
[AKV]D:1336 |
6 |
1 |
584 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
8003 |
44.0 |
0.9 |
0.619 |
0 |
0 |
0 |
0.000 |
Average: |
45.8 |
0.9 |
0.621 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[AKV]A:1335 |
7 |
1 |
585 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
8238 |
47.2 |
1.0 |
0.639 |
0 |
0 |
0 |
0.000 |
32 |
|
[AKV]B:1334 |
7 |
1 |
589 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
8012 |
45.1 |
0.9 |
0.636 |
0 |
0 |
0 |
0.000 |
Average: |
46.2 |
0.9 |
0.638 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[SO4]C:1280 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
8328 |
46.2 |
-5.2 |
0.861 |
1 |
0 |
0 |
0.044 |
27 |
34 |
|
[SO4]A:1282 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
8238 |
45.8 |
-5.2 |
0.855 |
1 |
0 |
0 |
0.051 |
28 |
35 |
|
[SO4]D:1281 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
8003 |
43.9 |
-4.9 |
0.880 |
2 |
0 |
0 |
0.045 |
29 |
36 |
|
[SO4]B:1283 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8012 |
40.9 |
-5.0 |
0.903 |
1 |
0 |
0 |
0.049 |
|