## |
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 |
113 |
31 |
13757 |
◊ |
A |
x,y,z |
1_555 |
110 |
29 |
14157 |
1011.3 |
-7.9 |
0.277 |
7 |
4 |
0 |
0.071 |
2 |
2 |
|
A |
84 |
22 |
14157 |
x |
A |
-y+1,x-y-1,z |
2_645 |
82 |
21 |
14157 |
701.0 |
-6.6 |
0.274 |
10 |
0 |
0 |
0.161 |
3 |
|
B |
71 |
16 |
13757 |
x |
B |
-y+1,x-y-1,z |
2_645 |
79 |
21 |
13757 |
656.6 |
-6.5 |
0.230 |
7 |
0 |
0 |
0.161 |
Average: |
678.8 |
-6.6 |
0.252 |
9 |
0 |
0 |
0.161 |
3 |
4 |
|
[AR6]B:401 |
35 |
1 |
727 |
f |
B |
x,y,z |
1_555 |
85 |
30 |
13757 |
499.5 |
-7.0 |
0.606 |
19 |
0 |
0 |
0.217 |
5 |
|
[AR6]A:401 |
35 |
1 |
731 |
f |
A |
x,y,z |
1_555 |
81 |
29 |
14157 |
497.2 |
-6.5 |
0.643 |
19 |
0 |
0 |
0.217 |
Average: |
498.3 |
-6.8 |
0.624 |
19 |
0 |
0 |
0.217 |
4 |
6 |
|
A |
47 |
14 |
14157 |
x |
A |
-y+2,x-y-1,z |
2_745 |
38 |
11 |
14157 |
379.0 |
-4.9 |
0.150 |
2 |
1 |
0 |
0.000 |
5 |
7 |
|
[7M2]B:408 |
17 |
1 |
427 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
13757 |
242.6 |
-5.6 |
0.113 |
0 |
0 |
0 |
0.079 |
8 |
|
[7M2]A:410 |
17 |
1 |
427 |
f |
A |
x,y,z |
1_555 |
29 |
13 |
14157 |
241.6 |
-5.5 |
0.136 |
0 |
0 |
0 |
0.079 |
Average: |
242.1 |
-5.5 |
0.124 |
0 |
0 |
0 |
0.079 |
6 |
9 |
|
[PGE]A:409 |
10 |
1 |
339 |
f |
A |
x,y,z |
1_555 |
39 |
14 |
14157 |
225.0 |
5.1 |
0.393 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
[EDO]B:407 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
24 |
7 |
13757 |
117.4 |
2.7 |
0.400 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
18 |
6 |
13757 |
x |
B |
-y+2,x-y-1,z |
2_745 |
12 |
4 |
13757 |
107.4 |
0.2 |
0.529 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
B |
15 |
5 |
13757 |
◊ |
A |
x-y,x-1,z-1/2 |
6_544 |
15 |
5 |
14157 |
98.0 |
1.7 |
0.807 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[SO4]A:405 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
14157 |
89.4 |
-10.6 |
0.914 |
4 |
0 |
0 |
0.180 |
11 |
14 |
|
A |
9 |
6 |
14157 |
f |
[SO4]A:404 |
-y+1,x-y-1,z |
2_645 |
5 |
1 |
188 |
88.7 |
-11.8 |
0.881 |
3 |
0 |
0 |
0.190 |
12 |
15 |
|
[SO4]A:403 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
13757 |
88.1 |
-10.9 |
0.707 |
1 |
0 |
0 |
0.122 |
13 |
16 |
|
[SO4]A:403 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
14157 |
87.6 |
-10.8 |
0.705 |
1 |
0 |
0 |
0.069 |
14 |
17 |
|
[SO4]A:406 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
14157 |
87.3 |
-12.9 |
0.751 |
1 |
0 |
0 |
0.193 |
15 |
18 |
|
[SO4]B:404 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
13757 |
86.6 |
-10.3 |
0.918 |
3 |
0 |
0 |
0.126 |
16 |
19 |
|
[SO4]B:405 |
5 |
1 |
187 |
f |
B |
-y+1,x-y-1,z |
2_645 |
12 |
7 |
13757 |
86.1 |
-11.2 |
0.860 |
3 |
0 |
0 |
0.135 |
17 |
20 |
|
[SO4]B:406 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
13757 |
82.4 |
-11.7 |
0.772 |
3 |
0 |
0 |
0.140 |
18 |
21 |
|
[SO4]B:403 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
13757 |
82.0 |
-10.5 |
0.870 |
2 |
0 |
0 |
0.123 |
19 |
22 |
|
[EDO]A:408 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
14157 |
81.7 |
2.2 |
0.359 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[SO4]B:403 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
14157 |
75.2 |
-9.1 |
0.901 |
4 |
0 |
0 |
0.066 |
21 |
24 |
|
[EDO]A:407 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
13757 |
69.9 |
1.3 |
0.213 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[EDO]A:407 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14157 |
45.7 |
0.8 |
0.688 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[SO4]B:405 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
13757 |
43.1 |
-4.3 |
0.917 |
1 |
0 |
0 |
0.052 |
24 |
27 |
|
[PGE]A:409 |
3 |
1 |
339 |
f |
[AR6]A:401 |
x,y,z |
1_555 |
5 |
1 |
731 |
40.8 |
-0.7 |
0.280 |
0 |
0 |
0 |
0.010 |
25 |
28 |
|
[SO4]A:404 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14157 |
40.5 |
-3.9 |
0.909 |
1 |
0 |
0 |
0.063 |
26 |
29 |
|
[AR6]B:401 |
4 |
1 |
727 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
14157 |
39.2 |
0.8 |
0.760 |
1 |
0 |
0 |
0.000 |
30 |
|
[AR6]A:401 |
4 |
1 |
731 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
13757 |
38.2 |
0.9 |
0.775 |
1 |
0 |
0 |
0.000 |
Average: |
38.7 |
0.9 |
0.768 |
1 |
0 |
0 |
0.000 |
27 |
31 |
|
[EDO]A:408 |
2 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
13757 |
33.0 |
0.9 |
0.519 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[EDO]B:407 |
3 |
1 |
183 |
f |
[AR6]B:401 |
x,y,z |
1_555 |
3 |
1 |
727 |
29.3 |
-0.4 |
0.572 |
0 |
0 |
0 |
0.004 |
29 |
33 |
|
[7M2]A:410 |
2 |
1 |
427 |
f |
[PGE]A:409 |
x,y,z |
1_555 |
1 |
1 |
339 |
21.8 |
-0.9 |
0.237 |
0 |
0 |
0 |
0.013 |
30 |
34 |
|
[7M2]A:410 |
2 |
1 |
427 |
f |
[EDO]A:408 |
x,y,z |
1_555 |
1 |
1 |
182 |
14.8 |
-0.1 |
0.796 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
B |
1 |
1 |
13757 |
◊ |
A |
-y+1,x-y-1,z |
2_645 |
2 |
1 |
14157 |
9.2 |
0.3 |
0.804 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[7M2]B:408 |
1 |
1 |
427 |
f |
[EDO]A:407 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.6 |
-0.0 |
0.827 |
0 |
0 |
0 |
0.000 |
|