## |
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 |
|
B |
153 |
40 |
8658 |
◊ |
A |
x,y,z |
1_555 |
153 |
41 |
8635 |
1330.2 |
-16.8 |
0.312 |
19 |
2 |
0 |
0.192 |
2 |
2 |
|
A |
52 |
12 |
8635 |
x |
A |
-y,x-y,z+1/3 |
2_555 |
54 |
18 |
8635 |
461.5 |
-6.2 |
0.353 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
52 |
20 |
8658 |
x |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
50 |
12 |
8658 |
452.2 |
-5.7 |
0.376 |
6 |
0 |
0 |
0.000 |
Average: |
456.9 |
-5.9 |
0.365 |
5 |
0 |
0 |
0.000 |
3 |
4 |
|
[H75]A:1220 |
16 |
1 |
422 |
f |
A |
x,y,z |
1_555 |
33 |
14 |
8635 |
264.3 |
1.1 |
0.303 |
0 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
23 |
7 |
8658 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
20 |
9 |
8635 |
236.0 |
-3.2 |
0.247 |
1 |
0 |
0 |
0.000 |
6 |
|
B |
20 |
9 |
8658 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
23 |
7 |
8635 |
235.9 |
-3.2 |
0.245 |
1 |
0 |
0 |
0.000 |
Average: |
235.9 |
-3.2 |
0.246 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
11 |
4 |
8635 |
◊ |
B |
-y,x-y,z-2/3 |
2_554 |
12 |
4 |
8658 |
109.7 |
-1.3 |
0.435 |
0 |
0 |
0 |
0.000 |
8 |
|
A |
12 |
4 |
8635 |
◊ |
B |
-y+1,x-y+1,z-2/3 |
2_664 |
12 |
4 |
8658 |
107.0 |
-1.3 |
0.428 |
0 |
0 |
0 |
0.000 |
Average: |
108.4 |
-1.3 |
0.431 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
[EDO]A:1217 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
8635 |
104.1 |
3.3 |
0.539 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
[ACT]B:1215 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8658 |
101.0 |
-0.7 |
0.666 |
0 |
0 |
0 |
0.006 |
8 |
11 |
|
[SO4]B:1213 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
8658 |
100.8 |
-14.1 |
0.855 |
3 |
0 |
0 |
0.116 |
9 |
12 |
|
[SO4]A:1212 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
8635 |
99.6 |
-13.8 |
0.851 |
3 |
0 |
0 |
0.114 |
10 |
13 |
|
[ACT]A:1214 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
8635 |
99.4 |
-0.7 |
0.666 |
1 |
0 |
0 |
0.009 |
11 |
14 |
|
[EDO]A:1219 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
8635 |
87.0 |
2.4 |
0.297 |
3 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]B:1220 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
8658 |
85.6 |
2.2 |
0.293 |
3 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]A:1218 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8658 |
81.4 |
1.5 |
0.282 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[SO4]A:1213 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8635 |
80.7 |
-12.3 |
0.840 |
5 |
0 |
0 |
0.109 |
15 |
18 |
|
[SO4]A:1211 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8635 |
79.6 |
-11.4 |
0.894 |
4 |
0 |
0 |
0.099 |
16 |
19 |
|
[SO4]B:1212 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8658 |
78.7 |
-11.3 |
0.896 |
4 |
0 |
0 |
0.098 |
17 |
20 |
|
[EDO]B:1219 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
8635 |
75.3 |
1.4 |
0.275 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[ACT]B:1216 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
8635 |
74.9 |
-0.1 |
0.699 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[SO4]B:1214 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8658 |
74.3 |
-10.9 |
0.844 |
5 |
0 |
0 |
0.099 |
20 |
23 |
|
[EDO]A:1218 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
8635 |
66.3 |
2.3 |
0.583 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[ACT]B:1217 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8658 |
65.9 |
0.7 |
0.830 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[EDO]B:1219 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
8658 |
61.2 |
1.9 |
0.290 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[SO4]B:1212 |
5 |
1 |
186 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
2 |
8658 |
59.8 |
-7.5 |
0.898 |
2 |
0 |
0 |
0.000 |
24 |
27 |
|
[CL]A:1215 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8635 |
59.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.131 |
28 |
|
[CL]B:1218 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8658 |
59.0 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
59.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.131 |
25 |
29 |
|
[CL]A:1216 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
8635 |
57.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.059 |
26 |
30 |
|
[ACT]B:1217 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8635 |
56.1 |
0.0 |
0.754 |
1 |
0 |
0 |
0.003 |
27 |
31 |
|
[ACT]B:1216 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
8658 |
50.7 |
0.8 |
0.827 |
2 |
0 |
0 |
0.000 |
28 |
32 |
|
[ACT]B:1217 |
3 |
1 |
182 |
f |
[ACT]B:1216 |
x,y,z |
1_555 |
3 |
1 |
181 |
42.5 |
-0.6 |
0.688 |
0 |
0 |
0 |
0.004 |
29 |
33 |
|
A |
4 |
2 |
8635 |
◊ |
[SO4]A:1211 |
-y,x-y,z+1/3 |
2_555 |
4 |
1 |
186 |
38.4 |
-4.9 |
0.632 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[CL]A:1216 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
8658 |
32.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.026 |
31 |
35 |
|
[ACT]A:1214 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8658 |
28.2 |
0.9 |
0.908 |
1 |
0 |
0 |
0.000 |
32 |
36 |
|
[SO4]B:1214 |
3 |
1 |
186 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
7 |
3 |
8635 |
27.8 |
-3.5 |
0.795 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[ACT]B:1215 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8635 |
27.8 |
0.9 |
0.906 |
1 |
0 |
0 |
0.000 |
34 |
38 |
|
[EDO]B:1219 |
2 |
1 |
183 |
f |
[EDO]A:1217 |
x,y,z |
1_555 |
2 |
1 |
185 |
27.4 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
35 |
39 |
|
B |
2 |
1 |
8658 |
◊ |
[CL]A:1215 |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
125 |
20.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[CL]B:1218 |
1 |
1 |
125 |
◊ |
A |
-y+1,x-y+1,z+1/3 |
2_665 |
2 |
1 |
8635 |
19.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
20.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
[EDO]B:1220 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
8635 |
12.0 |
0.4 |
0.817 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
B |
1 |
1 |
8658 |
◊ |
[SO4]A:1213 |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
186 |
8.8 |
-1.2 |
0.457 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[EDO]A:1217 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8658 |
8.6 |
0.1 |
0.511 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[CL]B:1218 |
1 |
1 |
125 |
f |
[EDO]A:1217 |
-y+1,x-y+1,z+1/3 |
2_665 |
2 |
1 |
185 |
5.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
40 |
45 |
|
[EDO]A:1219 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
8658 |
5.5 |
0.3 |
0.862 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[ACT]B:1217 |
1 |
1 |
182 |
f |
[ACT]A:1214 |
x,y,z |
1_555 |
1 |
1 |
182 |
3.8 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[ACT]B:1216 |
1 |
1 |
181 |
◊ |
[ACT]B:1215 |
x,y,z |
1_555 |
1 |
1 |
183 |
2.0 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|