## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
231 |
64 |
21721 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
229 |
64 |
21721 |
2327.4 |
-29.7 |
0.059 |
24 |
0 |
0 |
0.323 |
2 |
|
B |
135 |
40 |
10267 |
◊ |
A |
x,y,z |
1_555 |
150 |
42 |
21721 |
1390.5 |
-14.7 |
0.319 |
17 |
1 |
0 |
0.238 |
3 |
|
C |
117 |
9 |
4619 |
◊ |
A |
x,y,z |
1_555 |
125 |
43 |
21721 |
1105.9 |
-11.0 |
0.648 |
22 |
0 |
0 |
0.245 |
4 |
|
B |
81 |
23 |
10267 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
80 |
23 |
10267 |
813.2 |
-4.7 |
0.736 |
14 |
10 |
0 |
0.086 |
5 |
|
D |
82 |
17 |
3938 |
◊ |
C |
x,y,z |
1_555 |
81 |
16 |
4619 |
749.2 |
-7.0 |
0.733 |
40 |
0 |
0 |
0.992 |
6 |
|
C |
63 |
8 |
4619 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
64 |
23 |
21721 |
594.6 |
-8.2 |
0.450 |
18 |
0 |
0 |
0.146 |
7 |
|
D |
66 |
11 |
3938 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
72 |
23 |
21721 |
587.2 |
-4.7 |
0.552 |
11 |
0 |
0 |
0.075 |
8 |
|
D |
36 |
6 |
3938 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
21721 |
332.8 |
-0.9 |
0.706 |
3 |
0 |
0 |
0.026 |
9 |
|
B |
30 |
13 |
10267 |
◊ |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
28 |
4 |
3938 |
246.9 |
-3.4 |
0.473 |
3 |
0 |
0 |
0.066 |
10 |
|
B |
32 |
10 |
10267 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
26 |
3 |
4619 |
241.7 |
-3.3 |
0.567 |
3 |
0 |
0 |
0.066 |
11 |
|
[HEZ]B:397 |
8 |
1 |
293 |
◊ |
B |
x,y,z |
1_555 |
29 |
12 |
10267 |
195.5 |
4.4 |
0.197 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
24 |
4 |
21721 |
◊ |
B |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
17 |
6 |
10267 |
171.4 |
-1.9 |
0.474 |
2 |
0 |
0 |
0.015 |
13 |
|
[GOL]B:395 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
10267 |
139.0 |
-1.0 |
0.588 |
8 |
0 |
0 |
0.063 |
14 |
|
[SO4]B:396 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
10267 |
124.4 |
-19.6 |
0.706 |
4 |
0 |
0 |
0.300 |
15 |
|
[GOL]B:803 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
23 |
6 |
10267 |
111.2 |
-1.1 |
0.483 |
1 |
0 |
0 |
0.021 |
16 |
|
[GOL]A:398 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
21721 |
107.4 |
-0.7 |
0.562 |
0 |
0 |
0 |
0.012 |
17 |
|
[SO4]A:395 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
21721 |
101.7 |
-14.1 |
0.861 |
2 |
0 |
0 |
0.239 |
18 |
|
[GOL]A:801 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
21721 |
88.7 |
-0.1 |
0.598 |
4 |
0 |
0 |
0.031 |
19 |
|
[GOL]C:20 |
6 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
4619 |
81.0 |
0.4 |
0.619 |
2 |
0 |
0 |
0.006 |
20 |
|
B |
6 |
1 |
10267 |
◊ |
C |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
11 |
1 |
4619 |
76.0 |
1.8 |
0.797 |
0 |
0 |
0 |
0.000 |
21 |
|
[SO4]A:397 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21721 |
70.2 |
-8.3 |
0.922 |
2 |
0 |
0 |
0.148 |
22 |
|
[GOL]C:20 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
21721 |
65.0 |
-0.8 |
0.449 |
0 |
0 |
0 |
0.013 |
23 |
|
[GOL]B:803 |
5 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
21721 |
64.0 |
0.2 |
0.599 |
1 |
0 |
0 |
0.003 |
24 |
|
[MN]A:394 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21721 |
60.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.065 |
25 |
|
[MN]B:394 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
10267 |
59.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.041 |
26 |
|
[MN]B:393 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
10267 |
58.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.055 |
27 |
|
[GOL]C:20 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
3938 |
49.4 |
0.6 |
0.505 |
0 |
0 |
0 |
0.000 |
28 |
|
[SO4]A:397 |
4 |
1 |
184 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
7 |
4 |
21721 |
48.7 |
-5.3 |
0.913 |
1 |
0 |
0 |
0.092 |
29 |
|
[NH4]A:396 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
21721 |
42.5 |
0.5 |
0.775 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
4 |
1 |
10267 |
◊ |
D |
-x-1/2,y-1/2,-z+1/4 |
5_445 |
9 |
1 |
3938 |
41.0 |
0.8 |
0.756 |
0 |
0 |
0 |
0.000 |
31 |
|
[MN]B:393 |
1 |
1 |
123 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
4 |
1 |
4619 |
37.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.032 |
32 |
|
[MN]B:394 |
1 |
1 |
123 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
3 |
2 |
10267 |
32.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.022 |
33 |
|
[NH4]A:396 |
1 |
1 |
117 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
4619 |
21.5 |
-0.2 |
0.673 |
0 |
0 |
0 |
0.100 |
34 |
|
[HEZ]B:397 |
2 |
1 |
293 |
f |
B |
-y,-x,-z+1/2 |
8_555 |
3 |
1 |
10267 |
19.1 |
0.4 |
0.890 |
1 |
0 |
0 |
0.000 |
35 |
|
[SO4]A:397 |
3 |
1 |
184 |
◊ |
D |
-y,-x,-z-1/2 |
8_554 |
2 |
2 |
3938 |
18.0 |
-3.1 |
0.499 |
0 |
0 |
0 |
0.024 |
36 |
|
[MN]A:394 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
3938 |
11.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.010 |
37 |
|
[ZN]A:393 |
1 |
1 |
98 |
f |
A |
-y,-x,-z-1/2 |
8_554 |
3 |
1 |
21721 |
11.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.079 |
38 |
|
[GOL]B:395 |
2 |
1 |
220 |
f |
[MN]B:394 |
x,y,z |
1_555 |
1 |
1 |
123 |
6.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
39 |
|
[SO4]B:396 |
1 |
1 |
185 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
2 |
1 |
10267 |
2.5 |
-0.4 |
0.768 |
0 |
0 |
0 |
0.005 |
|