## |
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 |
|
L |
166 |
48 |
11193 |
◊ |
H |
x,y,z |
1_555 |
148 |
44 |
11097 |
1444.9 |
-19.5 |
0.100 |
15 |
2 |
0 |
0.419 |
2 |
2 |
|
Y |
168 |
49 |
11063 |
◊ |
X |
x,y,z |
1_555 |
153 |
43 |
11422 |
1437.2 |
-19.5 |
0.080 |
13 |
1 |
0 |
0.657 |
3 |
3 |
|
X |
87 |
27 |
11422 |
◊ |
H |
x,y,z |
1_555 |
84 |
28 |
11097 |
797.0 |
-7.1 |
0.451 |
3 |
0 |
0 |
0.150 |
4 |
4 |
|
H |
64 |
15 |
11097 |
◊ |
A |
x,y,z |
1_555 |
75 |
20 |
9115 |
626.0 |
-7.1 |
0.294 |
9 |
1 |
0 |
0.198 |
5 |
5 |
|
X |
69 |
17 |
11422 |
◊ |
B |
x,y,z |
1_555 |
67 |
18 |
9060 |
607.2 |
-6.5 |
0.318 |
9 |
1 |
0 |
0.264 |
6 |
6 |
|
A |
56 |
17 |
9115 |
◊ |
B |
x-y,x,z-1/6 |
2_554 |
50 |
11 |
9060 |
471.8 |
-2.8 |
0.474 |
2 |
1 |
0 |
0.000 |
7 |
7 |
|
B |
54 |
18 |
9060 |
◊ |
A |
x-y-1,x-1,z-1/6 |
2_444 |
46 |
13 |
9115 |
463.6 |
-2.4 |
0.495 |
3 |
2 |
0 |
0.027 |
8 |
8 |
|
Y |
41 |
13 |
11063 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
9060 |
346.8 |
-5.7 |
0.069 |
3 |
0 |
0 |
0.097 |
9 |
9 |
|
Y |
40 |
16 |
11063 |
◊ |
A |
-x,-y-1,z-1/2 |
4_544 |
30 |
8 |
9115 |
320.0 |
-2.0 |
0.437 |
4 |
0 |
0 |
0.025 |
10 |
10 |
|
X |
28 |
8 |
11422 |
◊ |
A |
-x,-y-1,z-1/2 |
4_544 |
43 |
12 |
9115 |
316.4 |
-1.4 |
0.515 |
8 |
0 |
0 |
0.054 |
11 |
11 |
|
L |
34 |
9 |
11193 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
9115 |
308.3 |
-5.9 |
0.030 |
3 |
0 |
0 |
0.072 |
12 |
12 |
|
H |
26 |
8 |
11097 |
◊ |
A |
-x,-y-1,z-1/2 |
4_544 |
29 |
7 |
9115 |
244.9 |
-2.0 |
0.463 |
0 |
0 |
0 |
0.022 |
13 |
13 |
|
L |
29 |
6 |
11193 |
◊ |
Y |
-y-1,x-y-1,z-1/3 |
3_444 |
25 |
7 |
11063 |
230.9 |
-0.9 |
0.553 |
2 |
0 |
0 |
0.000 |
14 |
14 |
|
L |
25 |
9 |
11193 |
◊ |
B |
-x,-y-1,z-1/2 |
4_544 |
23 |
7 |
9060 |
230.3 |
-1.3 |
0.505 |
4 |
0 |
0 |
0.000 |
15 |
15 |
|
Y |
23 |
12 |
11063 |
◊ |
A |
x-y-1,x-1,z-1/6 |
2_444 |
26 |
9 |
9115 |
215.7 |
0.4 |
0.641 |
1 |
0 |
0 |
0.000 |
16 |
16 |
|
H |
19 |
6 |
11097 |
◊ |
B |
-y-1,x-y-1,z-1/3 |
3_444 |
23 |
7 |
9060 |
185.5 |
0.7 |
0.774 |
2 |
1 |
0 |
0.002 |
17 |
17 |
|
L |
17 |
8 |
11193 |
◊ |
A |
-y,x-y-1,z-1/3 |
3_544 |
13 |
4 |
9115 |
162.8 |
-1.1 |
0.450 |
1 |
0 |
0 |
0.000 |
18 |
18 |
|
L |
14 |
10 |
11193 |
◊ |
B |
x-y,x,z-1/6 |
2_554 |
16 |
5 |
9060 |
151.3 |
-0.0 |
0.502 |
2 |
0 |
0 |
0.000 |
19 |
19 |
|
H |
18 |
5 |
11097 |
◊ |
B |
-x,-y-1,z-1/2 |
4_544 |
17 |
4 |
9060 |
143.5 |
0.4 |
0.733 |
2 |
0 |
0 |
0.000 |
20 |
20 |
|
Y |
16 |
8 |
11063 |
◊ |
B |
-y-1,x-y-1,z-1/3 |
3_444 |
12 |
6 |
9060 |
130.5 |
-0.6 |
0.491 |
1 |
0 |
0 |
0.007 |
21 |
21 |
|
[SO4]H:222 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
11097 |
84.3 |
-12.7 |
0.769 |
3 |
0 |
0 |
0.250 |
22 |
22 |
|
H |
16 |
4 |
11097 |
f |
[SO4]B:5 |
-y-1,x-y-1,z-1/3 |
3_444 |
5 |
1 |
185 |
83.3 |
-12.0 |
0.814 |
1 |
0 |
0 |
0.221 |
23 |
23 |
|
[SO4]X:221 |
5 |
1 |
185 |
f |
X |
x,y,z |
1_555 |
13 |
7 |
11422 |
82.0 |
-12.4 |
0.781 |
2 |
0 |
0 |
0.343 |
24 |
24 |
|
[SO4]L:212 |
5 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
10 |
4 |
11193 |
78.7 |
-9.8 |
0.698 |
1 |
0 |
0 |
0.162 |
25 |
25 |
|
[SO4]H:221 |
5 |
1 |
185 |
f |
A |
-x,-y-1,z-1/2 |
4_544 |
11 |
5 |
9115 |
65.9 |
-9.4 |
0.630 |
4 |
0 |
0 |
0.198 |
26 |
26 |
|
[SO4]Y:212 |
5 |
1 |
186 |
f |
B |
-y-1,x-y-1,z-1/3 |
3_444 |
8 |
4 |
9060 |
61.7 |
-8.1 |
0.748 |
2 |
0 |
0 |
0.222 |
27 |
27 |
|
[SO4]Y:212 |
5 |
1 |
186 |
◊ |
Y |
x,y,z |
1_555 |
9 |
4 |
11063 |
58.0 |
-7.0 |
0.879 |
1 |
0 |
0 |
0.049 |
28 |
28 |
|
[SO4]H:221 |
5 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
11097 |
53.9 |
-6.3 |
0.863 |
3 |
0 |
0 |
0.083 |
29 |
29 |
|
[SO4]H:221 |
4 |
1 |
185 |
◊ |
X |
x,y,z |
1_555 |
10 |
5 |
11422 |
49.4 |
-5.7 |
0.761 |
1 |
0 |
0 |
0.067 |
30 |
30 |
|
[MN]B:2 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
9060 |
48.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.100 |
31 |
|
[MN]A:1 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9115 |
48.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
48.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.100 |
31 |
32 |
|
[MN]B:2 |
1 |
1 |
123 |
◊ |
X |
x,y,z |
1_555 |
8 |
3 |
11422 |
40.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.047 |
32 |
33 |
|
[MN]A:1 |
1 |
1 |
123 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
11097 |
39.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.032 |
33 |
34 |
|
[SO4]X:221 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
11097 |
33.1 |
-4.2 |
0.574 |
0 |
0 |
0 |
0.074 |
34 |
35 |
|
[SO4]B:5 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9060 |
31.2 |
-3.9 |
0.497 |
0 |
0 |
0 |
0.026 |
35 |
36 |
|
[SO4]H:222 |
3 |
1 |
186 |
◊ |
X |
x,y,z |
1_555 |
4 |
1 |
11422 |
29.6 |
-3.8 |
0.776 |
0 |
0 |
0 |
0.067 |
36 |
37 |
|
[SO4]H:222 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9115 |
14.1 |
-1.9 |
0.674 |
0 |
0 |
0 |
0.033 |
37 |
38 |
|
[SO4]X:221 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9060 |
14.0 |
-1.6 |
0.756 |
0 |
0 |
0 |
0.040 |
38 |
39 |
|
L |
3 |
1 |
11193 |
◊ |
B |
-y-1,x-y-1,z-1/3 |
3_444 |
3 |
2 |
9060 |
10.6 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
X |
1 |
1 |
11422 |
◊ |
A |
-y,x-y-1,z-1/3 |
3_544 |
2 |
1 |
9115 |
4.4 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
|