## |
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 |
192 |
56 |
13070 |
◊ |
C |
x,y,z |
1_555 |
200 |
58 |
13149 |
1904.8 |
-21.7 |
0.037 |
23 |
1 |
0 |
0.734 |
2 |
|
B |
194 |
56 |
12971 |
◊ |
A |
x,y,z |
1_555 |
194 |
56 |
13352 |
1856.0 |
-25.2 |
0.015 |
23 |
0 |
0 |
0.734 |
Average: |
1880.4 |
-23.4 |
0.026 |
23 |
1 |
0 |
0.734 |
2 |
3 |
|
C |
86 |
23 |
13149 |
◊ |
A |
x,y,z |
1_555 |
86 |
25 |
13352 |
733.1 |
-8.0 |
0.199 |
7 |
6 |
0 |
0.242 |
4 |
|
D |
70 |
19 |
13070 |
◊ |
B |
x,y,z |
1_555 |
70 |
18 |
12971 |
594.0 |
-6.3 |
0.216 |
6 |
6 |
0 |
0.242 |
Average: |
663.5 |
-7.2 |
0.207 |
7 |
6 |
0 |
0.242 |
3 |
5 |
|
[PE4]A:303 |
15 |
1 |
456 |
f |
A |
x,y,z |
1_555 |
43 |
14 |
13352 |
301.9 |
7.5 |
0.223 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
31 |
10 |
13149 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
10 |
13352 |
262.8 |
3.9 |
0.887 |
5 |
4 |
0 |
0.000 |
5 |
7 |
|
[PE4]B:304 |
14 |
1 |
435 |
f |
B |
x,y,z |
1_555 |
31 |
11 |
12971 |
250.7 |
-1.9 |
0.351 |
1 |
0 |
0 |
0.048 |
6 |
8 |
|
C |
27 |
9 |
13149 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
12971 |
249.9 |
4.6 |
0.932 |
6 |
4 |
0 |
0.000 |
9 |
|
D |
21 |
8 |
13070 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
13352 |
195.1 |
2.5 |
0.857 |
5 |
4 |
0 |
0.000 |
Average: |
222.5 |
3.5 |
0.895 |
6 |
4 |
0 |
0.000 |
7 |
10 |
|
[PE4]C:304 |
12 |
1 |
420 |
f |
C |
x,y,z |
1_555 |
33 |
13 |
13149 |
235.5 |
-1.9 |
0.309 |
0 |
0 |
0 |
0.039 |
8 |
11 |
|
A |
26 |
6 |
13352 |
◊ |
D |
x,y,z-1 |
1_554 |
20 |
4 |
13070 |
202.0 |
-1.7 |
0.403 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[9KH]B:302 |
13 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
12971 |
175.5 |
0.8 |
0.326 |
5 |
0 |
0 |
0.028 |
13 |
|
[9KH]C:302 |
13 |
1 |
324 |
f |
C |
x,y,z |
1_555 |
31 |
12 |
13149 |
173.1 |
1.2 |
0.337 |
5 |
0 |
0 |
0.028 |
Average: |
174.3 |
1.0 |
0.331 |
5 |
0 |
0 |
0.028 |
10 |
14 |
|
[PJL]A:304 |
11 |
1 |
311 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
13352 |
164.7 |
-0.0 |
0.326 |
5 |
0 |
0 |
0.098 |
11 |
15 |
|
[9KH]C:302 |
12 |
1 |
324 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
13070 |
109.8 |
-0.2 |
0.136 |
0 |
0 |
0 |
0.003 |
16 |
|
[9KH]B:302 |
12 |
1 |
327 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
13352 |
108.5 |
0.0 |
0.190 |
0 |
0 |
0 |
0.003 |
Average: |
109.1 |
-0.1 |
0.163 |
0 |
0 |
0 |
0.003 |
12 |
17 |
|
[PJL]A:304 |
10 |
1 |
311 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
12971 |
107.8 |
0.2 |
0.217 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[SO4]D:302 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
13070 |
72.4 |
-10.5 |
0.775 |
1 |
0 |
0 |
0.203 |
14 |
19 |
|
[SO4]A:302 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
13149 |
71.7 |
-10.4 |
0.775 |
1 |
0 |
0 |
0.218 |
15 |
20 |
|
[SO4]D:302 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
12971 |
71.1 |
-9.8 |
0.868 |
1 |
0 |
0 |
0.189 |
16 |
21 |
|
[SO4]A:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
13352 |
70.9 |
-9.7 |
0.881 |
1 |
0 |
0 |
0.204 |
17 |
22 |
|
[LI]D:303 |
1 |
1 |
130 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
13070 |
66.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.096 |
18 |
23 |
|
[SO4]C:303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
13352 |
62.0 |
-6.2 |
0.955 |
2 |
0 |
0 |
0.310 |
19 |
24 |
|
[SO4]C:303 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
13149 |
60.6 |
-6.1 |
0.960 |
2 |
0 |
0 |
0.141 |
20 |
25 |
|
[SO4]B:303 |
5 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
13070 |
60.1 |
-6.0 |
0.950 |
2 |
0 |
0 |
0.128 |
21 |
26 |
|
[SO4]B:303 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12971 |
59.9 |
-6.2 |
0.955 |
2 |
0 |
0 |
0.146 |
22 |
27 |
|
[LI]A:305 |
1 |
1 |
130 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
13149 |
39.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.046 |
23 |
28 |
|
[LI]A:305 |
1 |
1 |
130 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13352 |
38.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.044 |
24 |
29 |
|
[LI]A:305 |
1 |
1 |
130 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
13070 |
38.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.027 |
25 |
30 |
|
C |
5 |
3 |
13149 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
3 |
12971 |
34.9 |
-0.1 |
0.544 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
C |
1 |
1 |
13149 |
◊ |
D |
x-1,y,z-1 |
1_454 |
1 |
1 |
13070 |
32.8 |
-1.0 |
0.035 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
1 |
1 |
13352 |
◊ |
B |
x-1,y,z-1 |
1_454 |
2 |
2 |
12971 |
27.6 |
-0.8 |
0.101 |
0 |
0 |
0 |
0.000 |
Average: |
30.2 |
-0.9 |
0.068 |
0 |
0 |
0 |
0.000 |
|