## |
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 |
105 |
29 |
13634 |
◊ |
A |
x,y,z |
1_555 |
106 |
29 |
14194 |
1013.7 |
-8.0 |
0.310 |
7 |
4 |
0 |
0.064 |
2 |
2 |
|
A |
82 |
23 |
14194 |
x |
A |
-y+1,x-y-1,z |
2_645 |
78 |
19 |
14194 |
715.7 |
-5.6 |
0.332 |
9 |
0 |
0 |
0.115 |
3 |
|
B |
69 |
15 |
13634 |
x |
B |
-y+1,x-y-1,z |
2_645 |
81 |
22 |
13634 |
653.1 |
-5.9 |
0.264 |
7 |
0 |
0 |
0.115 |
Average: |
684.4 |
-5.8 |
0.298 |
8 |
0 |
0 |
0.115 |
3 |
4 |
|
[AR6]B:401 |
35 |
1 |
727 |
f |
B |
x,y,z |
1_555 |
83 |
30 |
13634 |
516.5 |
-7.5 |
0.636 |
17 |
0 |
0 |
0.192 |
5 |
|
[AR6]A:401 |
36 |
1 |
731 |
f |
A |
x,y,z |
1_555 |
85 |
30 |
14194 |
507.4 |
-7.1 |
0.640 |
19 |
0 |
0 |
0.192 |
Average: |
511.9 |
-7.3 |
0.638 |
18 |
0 |
0 |
0.192 |
4 |
6 |
|
A |
41 |
11 |
14194 |
x |
A |
-y+2,x-y-1,z |
2_745 |
38 |
11 |
14194 |
381.6 |
-3.2 |
0.208 |
2 |
1 |
0 |
0.000 |
5 |
7 |
|
[7N2]A:409 |
25 |
1 |
601 |
f |
A |
x,y,z |
1_555 |
42 |
20 |
14194 |
365.5 |
-8.3 |
0.100 |
2 |
0 |
0 |
0.092 |
6 |
8 |
|
[EDO]A:408 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
14194 |
120.9 |
2.6 |
0.417 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[SO4]B:405 |
5 |
1 |
187 |
f |
B |
-y+1,x-y-1,z |
2_645 |
10 |
6 |
13634 |
91.6 |
-12.2 |
0.881 |
3 |
0 |
0 |
0.173 |
8 |
10 |
|
[SO4]A:405 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14194 |
90.5 |
-11.6 |
0.896 |
3 |
0 |
0 |
0.130 |
9 |
11 |
|
[SO4]A:406 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
14194 |
88.2 |
-13.0 |
0.762 |
1 |
0 |
0 |
0.134 |
10 |
12 |
|
A |
9 |
6 |
14194 |
f |
[SO4]A:404 |
-y+1,x-y-1,z |
2_645 |
5 |
1 |
186 |
87.2 |
-11.5 |
0.885 |
3 |
0 |
0 |
0.129 |
11 |
13 |
|
[SO4]B:403 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
14194 |
87.2 |
-10.7 |
0.722 |
1 |
0 |
0 |
0.112 |
12 |
14 |
|
B |
9 |
5 |
13634 |
x |
B |
-y+2,x-y-1,z |
2_745 |
12 |
5 |
13634 |
86.5 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[SO4]B:403 |
5 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
13634 |
86.1 |
-10.3 |
0.771 |
1 |
0 |
0 |
0.059 |
14 |
16 |
|
[EDO]B:407 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
14194 |
84.1 |
1.5 |
0.207 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[SO4]A:407 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
14194 |
82.7 |
-11.2 |
0.808 |
2 |
0 |
0 |
0.121 |
16 |
18 |
|
[SO4]A:403 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13634 |
81.8 |
-10.7 |
0.871 |
3 |
0 |
0 |
0.154 |
17 |
19 |
|
[SO4]B:406 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
13634 |
81.0 |
-11.5 |
0.787 |
3 |
0 |
0 |
0.164 |
18 |
20 |
|
[SO4]B:404 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
13634 |
80.1 |
-9.5 |
0.922 |
3 |
0 |
0 |
0.138 |
19 |
21 |
|
[SO4]A:403 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
14194 |
74.0 |
-9.2 |
0.896 |
5 |
0 |
0 |
0.063 |
20 |
22 |
|
B |
13 |
5 |
13634 |
◊ |
[SO4]A:407 |
x-y,x-1,z-1/2 |
6_544 |
4 |
1 |
186 |
63.5 |
-8.0 |
0.730 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
B |
7 |
3 |
13634 |
◊ |
A |
x-y,x-1,z-1/2 |
6_544 |
8 |
3 |
14194 |
56.6 |
1.0 |
0.817 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[SO4]B:405 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
13634 |
42.0 |
-4.4 |
0.892 |
1 |
0 |
0 |
0.061 |
23 |
25 |
|
[SO4]A:404 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14194 |
41.7 |
-4.3 |
0.844 |
0 |
0 |
0 |
0.043 |
24 |
26 |
|
[AR6]B:401 |
4 |
1 |
727 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
14194 |
40.5 |
1.0 |
0.786 |
1 |
0 |
0 |
0.000 |
27 |
|
[AR6]A:401 |
4 |
1 |
731 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13634 |
37.4 |
0.8 |
0.770 |
1 |
0 |
0 |
0.000 |
Average: |
38.9 |
0.9 |
0.778 |
1 |
0 |
0 |
0.000 |
25 |
28 |
|
[EDO]B:407 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
13634 |
26.4 |
0.3 |
0.768 |
1 |
0 |
0 |
0.002 |
26 |
29 |
|
B |
5 |
2 |
13634 |
◊ |
A |
-y+1,x-y-1,z |
2_645 |
5 |
2 |
14194 |
23.8 |
0.3 |
0.670 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[EDO]A:408 |
2 |
1 |
186 |
f |
[AR6]A:401 |
x,y,z |
1_555 |
3 |
1 |
731 |
21.4 |
-0.4 |
0.624 |
0 |
0 |
0 |
0.004 |
28 |
31 |
|
[7N2]A:409 |
2 |
1 |
601 |
f |
[AR6]A:401 |
x,y,z |
1_555 |
2 |
1 |
731 |
15.3 |
-0.5 |
0.501 |
0 |
0 |
0 |
0.005 |
29 |
32 |
|
[7N2]A:409 |
2 |
1 |
601 |
◊ |
[EDO]B:407 |
x,y,z |
1_555 |
1 |
1 |
184 |
8.9 |
0.0 |
0.792 |
0 |
0 |
0 |
0.000 |
|