## |
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 |
225 |
61 |
17828 |
◊ |
A |
x,y,z |
1_555 |
220 |
60 |
17478 |
2172.0 |
-20.1 |
0.177 |
24 |
18 |
0 |
0.342 |
2 |
|
D |
225 |
58 |
17306 |
◊ |
B |
x,y,z |
1_555 |
223 |
57 |
17230 |
2139.0 |
-21.5 |
0.142 |
24 |
18 |
0 |
0.342 |
Average: |
2155.5 |
-20.8 |
0.159 |
24 |
18 |
0 |
0.342 |
2 |
3 |
|
C |
78 |
19 |
17828 |
◊ |
A |
x-1,y,z |
1_455 |
90 |
22 |
17478 |
761.9 |
1.9 |
0.829 |
14 |
8 |
0 |
0.000 |
3 |
4 |
|
C |
58 |
14 |
17828 |
◊ |
B |
x,y,z |
1_555 |
60 |
15 |
17230 |
513.9 |
-3.1 |
0.509 |
8 |
6 |
0 |
0.061 |
5 |
|
D |
61 |
15 |
17306 |
◊ |
A |
x,y,z |
1_555 |
61 |
15 |
17478 |
509.5 |
-3.2 |
0.488 |
8 |
6 |
0 |
0.061 |
Average: |
511.7 |
-3.1 |
0.498 |
8 |
6 |
0 |
0.061 |
4 |
6 |
|
D |
60 |
20 |
17306 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
57 |
19 |
17230 |
453.8 |
2.0 |
0.842 |
6 |
3 |
0 |
0.000 |
5 |
7 |
|
A |
43 |
14 |
17478 |
◊ |
B |
x-1,y,z-1 |
1_454 |
43 |
12 |
17230 |
342.1 |
0.5 |
0.744 |
3 |
4 |
0 |
0.000 |
6 |
8 |
|
D |
32 |
9 |
17306 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
38 |
12 |
17828 |
276.9 |
-2.7 |
0.392 |
0 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
23 |
10 |
17478 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
25 |
10 |
17230 |
250.8 |
2.6 |
0.880 |
4 |
4 |
0 |
0.000 |
8 |
10 |
|
C |
25 |
10 |
17828 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
7 |
17230 |
195.5 |
1.6 |
0.798 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
A |
17 |
7 |
17478 |
◊ |
D |
x-1,y,z-1 |
1_454 |
27 |
12 |
17306 |
162.4 |
0.4 |
0.705 |
2 |
1 |
0 |
0.000 |
10 |
12 |
|
D |
9 |
2 |
17306 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
17828 |
91.4 |
-2.1 |
0.177 |
0 |
0 |
0 |
0.017 |
13 |
|
B |
9 |
2 |
17230 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
17478 |
91.2 |
-2.0 |
0.191 |
0 |
0 |
0 |
0.017 |
Average: |
91.3 |
-2.0 |
0.184 |
0 |
0 |
0 |
0.017 |
11 |
14 |
|
C |
17 |
7 |
17828 |
◊ |
B |
x-1,y,z-1 |
1_454 |
13 |
8 |
17230 |
84.8 |
-1.1 |
0.480 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[SO4]A:506 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
17828 |
80.4 |
-9.2 |
0.932 |
5 |
0 |
0 |
0.091 |
13 |
16 |
|
[SO4]B:504 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
17306 |
80.1 |
-9.4 |
0.924 |
6 |
0 |
0 |
0.118 |
14 |
17 |
|
[SO4]A:506 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
17478 |
79.3 |
-8.5 |
0.941 |
5 |
0 |
0 |
0.085 |
15 |
18 |
|
[SO4]B:504 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
17230 |
78.3 |
-9.1 |
0.935 |
8 |
0 |
0 |
0.124 |
16 |
19 |
|
[CL]A:505 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
17478 |
74.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.091 |
17 |
20 |
|
[CL]A:507 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
17478 |
74.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.090 |
18 |
21 |
|
[CL]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
17828 |
73.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.208 |
22 |
|
[CL]D:503 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
17306 |
69.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.208 |
23 |
|
[CL]B:503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
17230 |
67.5 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.208 |
24 |
|
[CL]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
17478 |
66.1 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.208 |
Average: |
69.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.208 |
19 |
25 |
|
[CD]C:501 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
17828 |
49.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.147 |
26 |
|
[CD]D:501 |
1 |
1 |
112 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
17306 |
49.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.147 |
27 |
|
[CD]A:501 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
17478 |
49.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.147 |
28 |
|
[CD]B:501 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
17230 |
49.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.147 |
Average: |
49.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.147 |
20 |
29 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
17478 |
42.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.040 |
21 |
30 |
|
C |
9 |
3 |
17828 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
3 |
17306 |
29.6 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[CD]D:502 |
1 |
1 |
112 |
f |
[CD]D:501 |
x,y,z |
1_555 |
1 |
1 |
112 |
19.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.030 |
23 |
32 |
|
[CD]B:502 |
1 |
1 |
112 |
f |
[CD]B:501 |
x,y,z |
1_555 |
1 |
1 |
112 |
18.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.030 |
24 |
33 |
|
[CD]C:502 |
1 |
1 |
112 |
f |
[CD]C:501 |
x,y,z |
1_555 |
1 |
1 |
112 |
18.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.023 |
25 |
34 |
|
[CD]A:502 |
1 |
1 |
112 |
f |
[CD]A:501 |
x,y,z |
1_555 |
1 |
1 |
112 |
18.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.023 |
26 |
35 |
|
A |
1 |
1 |
17478 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
17230 |
3.5 |
-0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
A |
1 |
1 |
17478 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
2 |
17306 |
3.5 |
-0.1 |
0.475 |
0 |
0 |
0 |
0.000 |
|