## |
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 |
108 |
30 |
13841 |
◊ |
A |
x,y,z |
1_555 |
108 |
29 |
14142 |
1008.4 |
-8.4 |
0.249 |
5 |
4 |
0 |
0.058 |
2 |
2 |
|
A |
76 |
18 |
14142 |
x |
A |
-y,x-y,z |
2_555 |
78 |
23 |
14142 |
675.6 |
-5.8 |
0.258 |
8 |
0 |
0 |
0.109 |
3 |
|
B |
83 |
25 |
13841 |
x |
B |
-y,x-y,z |
2_555 |
73 |
16 |
13841 |
659.0 |
-6.0 |
0.200 |
8 |
0 |
0 |
0.109 |
Average: |
667.3 |
-5.9 |
0.229 |
8 |
0 |
0 |
0.109 |
3 |
4 |
|
[AR6]B:401 |
36 |
1 |
723 |
f |
B |
x,y,z |
1_555 |
81 |
30 |
13841 |
511.6 |
-7.1 |
0.607 |
18 |
0 |
0 |
0.181 |
5 |
|
[AR6]A:401 |
36 |
1 |
733 |
f |
A |
x,y,z |
1_555 |
79 |
30 |
14142 |
500.7 |
-7.1 |
0.639 |
19 |
0 |
0 |
0.181 |
Average: |
506.1 |
-7.1 |
0.623 |
19 |
0 |
0 |
0.181 |
4 |
6 |
|
A |
40 |
12 |
14142 |
x |
A |
-y,x-y+1,z |
2_565 |
39 |
13 |
14142 |
341.9 |
-4.1 |
0.268 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
[HWB]B:410 |
19 |
1 |
448 |
f |
B |
x,y,z |
1_555 |
31 |
16 |
13841 |
261.7 |
-5.2 |
0.160 |
1 |
0 |
0 |
0.073 |
8 |
|
[HWB]A:410 |
20 |
1 |
451 |
f |
A |
x,y,z |
1_555 |
31 |
14 |
14142 |
260.6 |
-5.4 |
0.146 |
2 |
0 |
0 |
0.073 |
Average: |
261.1 |
-5.3 |
0.153 |
2 |
0 |
0 |
0.073 |
6 |
9 |
|
A |
22 |
5 |
14142 |
◊ |
B |
x-y,x,z-1/2 |
6_554 |
21 |
5 |
13841 |
200.6 |
4.0 |
0.917 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
[EDO]A:404 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
28 |
7 |
14142 |
121.3 |
2.7 |
0.420 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
11 |
6 |
13841 |
f |
[SO4]B:406 |
-y,x-y,z |
2_555 |
5 |
1 |
183 |
92.8 |
-13.3 |
0.863 |
3 |
0 |
0 |
0.122 |
9 |
12 |
|
[SO4]A:406 |
5 |
1 |
184 |
f |
A |
-y,x-y,z |
2_555 |
8 |
5 |
14142 |
91.4 |
-13.2 |
0.879 |
2 |
0 |
0 |
0.164 |
10 |
13 |
|
[SO4]A:407 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14142 |
91.3 |
-11.6 |
0.910 |
3 |
0 |
0 |
0.151 |
11 |
14 |
|
[SO4]B:404 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
14142 |
89.5 |
-10.5 |
0.747 |
2 |
0 |
0 |
0.133 |
12 |
15 |
|
[SO4]B:405 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
13841 |
88.9 |
-11.2 |
0.924 |
4 |
0 |
0 |
0.109 |
13 |
16 |
|
[EDO]B:403 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
13841 |
87.4 |
2.2 |
0.396 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[SO4]B:404 |
5 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
13841 |
84.0 |
-10.4 |
0.732 |
1 |
0 |
0 |
0.056 |
15 |
18 |
|
[SO4]A:409 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14142 |
80.5 |
-12.0 |
0.623 |
3 |
0 |
0 |
0.155 |
16 |
19 |
|
[SO4]B:408 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13841 |
79.3 |
-10.8 |
0.843 |
3 |
0 |
0 |
0.101 |
17 |
20 |
|
[SO4]B:407 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13841 |
78.7 |
-11.6 |
0.699 |
2 |
0 |
0 |
0.104 |
18 |
21 |
|
B |
14 |
4 |
13841 |
x |
B |
-y,x-y+1,z |
2_565 |
13 |
5 |
13841 |
77.0 |
-0.2 |
0.585 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[EDO]A:405 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
13841 |
76.4 |
1.3 |
0.206 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[SO4]A:408 |
5 |
1 |
183 |
f |
B |
x-y,x,z-1/2 |
6_554 |
12 |
3 |
13841 |
75.4 |
-9.4 |
0.890 |
5 |
0 |
0 |
0.097 |
21 |
24 |
|
[SO4]A:408 |
5 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
14142 |
75.4 |
-9.5 |
0.865 |
3 |
0 |
0 |
0.051 |
22 |
25 |
|
[EDO]A:403 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
14142 |
73.7 |
0.8 |
0.586 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[SO4]B:408 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
14142 |
71.1 |
-8.9 |
0.901 |
4 |
0 |
0 |
0.056 |
24 |
27 |
|
[SO4]B:406 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
13841 |
43.8 |
-4.7 |
0.886 |
0 |
0 |
0 |
0.039 |
25 |
28 |
|
[SO4]A:406 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
14142 |
42.6 |
-4.8 |
0.763 |
0 |
0 |
0 |
0.056 |
26 |
29 |
|
[SO4]B:409 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
13841 |
41.0 |
-5.3 |
0.499 |
0 |
0 |
0 |
0.044 |
27 |
30 |
|
B |
8 |
3 |
13841 |
◊ |
[SO4]B:409 |
-y,x-y,z |
2_555 |
5 |
1 |
183 |
41.0 |
-5.2 |
0.499 |
0 |
0 |
0 |
0.044 |
28 |
31 |
|
[SO4]B:409 |
5 |
1 |
183 |
◊ |
B |
-y,x-y,z |
2_555 |
8 |
3 |
13841 |
41.0 |
-5.2 |
0.498 |
0 |
0 |
0 |
0.044 |
29 |
32 |
|
[AR6]A:401 |
5 |
1 |
733 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
13841 |
40.2 |
0.8 |
0.756 |
1 |
0 |
0 |
0.000 |
33 |
|
[AR6]B:401 |
4 |
1 |
723 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
14142 |
37.3 |
0.8 |
0.756 |
1 |
0 |
0 |
0.000 |
Average: |
38.8 |
0.8 |
0.756 |
1 |
0 |
0 |
0.000 |
30 |
34 |
|
[EDO]A:404 |
3 |
1 |
186 |
f |
[AR6]A:401 |
x,y,z |
1_555 |
6 |
1 |
733 |
34.6 |
-0.8 |
0.647 |
0 |
0 |
0 |
0.009 |
31 |
35 |
|
[EDO]A:405 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
14142 |
32.6 |
0.5 |
0.742 |
1 |
0 |
0 |
0.000 |
32 |
36 |
|
[EDO]A:403 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
13841 |
30.5 |
0.5 |
0.739 |
1 |
0 |
0 |
0.000 |
33 |
37 |
|
[SO4]B:409 |
1 |
1 |
183 |
f |
[EDO]B:403 |
x,y,z |
1_555 |
2 |
1 |
182 |
19.8 |
-2.0 |
0.894 |
1 |
0 |
0 |
0.020 |
34 |
38 |
|
[EDO]B:403 |
2 |
1 |
182 |
◊ |
[SO4]B:409 |
-y,x-y,z |
2_555 |
1 |
1 |
183 |
19.8 |
-2.0 |
0.894 |
1 |
0 |
0 |
0.020 |
35 |
39 |
|
[SO4]B:409 |
1 |
1 |
183 |
◊ |
[EDO]B:403 |
-y,x-y,z |
2_555 |
3 |
1 |
182 |
19.5 |
-2.0 |
0.894 |
1 |
0 |
0 |
0.020 |
36 |
40 |
|
[EDO]B:403 |
2 |
1 |
182 |
◊ |
B |
-y,x-y,z |
2_555 |
1 |
1 |
13841 |
3.7 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
B |
1 |
1 |
13841 |
◊ |
[EDO]B:403 |
-y,x-y,z |
2_555 |
1 |
1 |
182 |
3.5 |
0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[HWB]A:410 |
2 |
1 |
451 |
◊ |
[EDO]A:403 |
x,y,z |
1_555 |
1 |
1 |
183 |
2.2 |
0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
B |
1 |
1 |
13841 |
◊ |
A |
x-y,x,z+1/2 |
6_555 |
1 |
1 |
14142 |
1.3 |
0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
|