## |
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 |
|
B |
220 |
62 |
7281 |
◊ |
A |
x,y,z |
1_555 |
188 |
47 |
12869 |
1971.1 |
-19.8 |
0.092 |
24 |
8 |
0 |
0.583 |
2 |
|
C |
196 |
64 |
44665 |
◊ |
A |
x,y,z |
1_555 |
172 |
57 |
12869 |
1752.5 |
0.6 |
0.871 |
23 |
11 |
0 |
0.000 |
3 |
|
C |
89 |
31 |
44665 |
x |
C |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
100 |
32 |
44665 |
820.2 |
-5.5 |
0.369 |
5 |
2 |
0 |
0.000 |
4 |
|
C |
49 |
15 |
44665 |
◊ |
C |
y,x,-z |
7_555 |
49 |
15 |
44665 |
512.1 |
7.5 |
0.981 |
14 |
8 |
0 |
0.000 |
5 |
|
C |
50 |
18 |
44665 |
x |
C |
-y+1/2,x+1/2,z-1/4 |
3_554 |
52 |
18 |
44665 |
463.4 |
-4.0 |
0.328 |
5 |
0 |
0 |
0.000 |
6 |
|
[GTP]A:305 |
31 |
1 |
646 |
f |
A |
x,y,z |
1_555 |
70 |
25 |
12869 |
430.3 |
-4.5 |
0.588 |
20 |
0 |
0 |
0.246 |
7 |
|
[F2X]C:1115 |
14 |
1 |
332 |
cf |
C |
x,y,z |
1_555 |
33 |
10 |
44665 |
213.3 |
3.9 |
0.333 |
1 |
0 |
0 |
0.000 |
8 |
|
[F2X]C:1116 |
14 |
1 |
335 |
cf |
C |
x,y,z |
1_555 |
29 |
14 |
44665 |
202.4 |
2.6 |
0.219 |
0 |
0 |
0 |
0.000 |
9 |
|
[F2X]C:1117 |
14 |
1 |
333 |
cf |
C |
x,y,z |
1_555 |
27 |
8 |
44665 |
196.5 |
1.6 |
0.114 |
0 |
0 |
0 |
0.000 |
10 |
|
C |
15 |
6 |
44665 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
7281 |
171.3 |
-1.8 |
0.301 |
1 |
1 |
0 |
0.000 |
11 |
|
[DMS]C:1114 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
44665 |
135.9 |
2.1 |
0.301 |
0 |
0 |
0 |
0.000 |
12 |
|
[GOL]C:1107 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
24 |
9 |
44665 |
134.8 |
-0.5 |
0.507 |
3 |
0 |
0 |
0.010 |
13 |
|
C |
14 |
7 |
44665 |
◊ |
B |
-x+1/2,y-1/2,-z-1/4 |
5_544 |
13 |
5 |
7281 |
122.2 |
-0.6 |
0.403 |
1 |
2 |
0 |
0.000 |
14 |
|
[GOL]C:1108 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
44665 |
115.8 |
-1.0 |
0.430 |
3 |
0 |
0 |
0.012 |
15 |
|
[DMS]C:1112 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
44665 |
114.0 |
1.2 |
0.319 |
0 |
0 |
0 |
0.000 |
16 |
|
[DMS]C:1105 |
4 |
1 |
207 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
44665 |
113.6 |
3.1 |
0.500 |
0 |
0 |
0 |
0.000 |
17 |
|
C |
12 |
5 |
44665 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
12 |
5 |
12869 |
106.4 |
0.3 |
0.654 |
1 |
0 |
0 |
0.000 |
18 |
|
[NO3]C:1106 |
4 |
1 |
166 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
44665 |
105.7 |
0.6 |
0.420 |
1 |
0 |
0 |
0.000 |
19 |
|
C |
12 |
5 |
44665 |
◊ |
A |
y-1,x,-z |
7_455 |
11 |
3 |
12869 |
102.5 |
-2.2 |
0.235 |
0 |
0 |
0 |
0.000 |
20 |
|
[NO3]C:1111 |
4 |
1 |
165 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
44665 |
96.9 |
1.8 |
0.643 |
2 |
0 |
0 |
0.000 |
21 |
|
[NO3]C:1110 |
4 |
1 |
166 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
44665 |
95.0 |
0.9 |
0.525 |
1 |
0 |
0 |
0.000 |
22 |
|
[NO3]C:1113 |
4 |
1 |
165 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
44665 |
93.4 |
0.6 |
0.367 |
1 |
0 |
0 |
0.000 |
23 |
|
[GOL]A:302 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
12869 |
93.1 |
-0.4 |
0.515 |
1 |
0 |
0 |
0.015 |
24 |
|
A |
9 |
4 |
12869 |
◊ |
C |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
9 |
3 |
44665 |
83.8 |
2.0 |
0.816 |
1 |
3 |
0 |
0.000 |
25 |
|
[NO3]A:303 |
4 |
1 |
165 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
12869 |
80.4 |
0.4 |
0.393 |
1 |
0 |
0 |
0.000 |
26 |
|
[NO3]A:304 |
4 |
1 |
164 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
12869 |
79.0 |
0.9 |
0.469 |
1 |
0 |
0 |
0.000 |
27 |
|
[NO3]C:1101 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
12869 |
78.0 |
0.9 |
0.478 |
0 |
0 |
0 |
0.000 |
28 |
|
[NO3]A:306 |
4 |
1 |
166 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
44665 |
72.6 |
0.4 |
0.398 |
0 |
0 |
0 |
0.000 |
29 |
|
[NO3]C:1109 |
4 |
1 |
166 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
44665 |
72.1 |
0.7 |
0.434 |
2 |
0 |
0 |
0.001 |
30 |
|
[CL]C:1103 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
44665 |
71.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.055 |
31 |
|
[NO3]A:306 |
4 |
1 |
166 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
12869 |
62.8 |
0.8 |
0.483 |
0 |
0 |
0 |
0.000 |
32 |
|
[CL]C:1104 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
44665 |
60.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.043 |
33 |
|
[CL]C:1102 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
44665 |
60.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.042 |
34 |
|
[NO3]C:1101 |
4 |
1 |
165 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
44665 |
51.4 |
1.4 |
0.946 |
0 |
0 |
0 |
0.000 |
35 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
12869 |
41.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.107 |
36 |
|
[F2X]C:1117 |
4 |
1 |
333 |
f |
[DMS]C:1114 |
x,y,z |
1_555 |
3 |
1 |
208 |
37.6 |
0.5 |
0.137 |
0 |
0 |
0 |
0.000 |
37 |
|
[GTP]A:305 |
5 |
1 |
646 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.084 |
38 |
|
C |
2 |
1 |
44665 |
f |
[NO3]C:1111 |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
4 |
1 |
165 |
31.3 |
-0.2 |
0.301 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
4 |
3 |
44665 |
f |
[DMS]C:1105 |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
4 |
1 |
207 |
30.2 |
0.1 |
0.337 |
0 |
0 |
0 |
0.000 |
40 |
|
[NO3]A:303 |
3 |
1 |
165 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
44665 |
29.3 |
-0.3 |
0.308 |
0 |
0 |
0 |
0.001 |
41 |
|
C |
3 |
1 |
44665 |
◊ |
B |
y-1,x,-z |
7_455 |
3 |
1 |
7281 |
27.8 |
0.2 |
0.602 |
0 |
1 |
0 |
0.000 |
42 |
|
[NO3]A:303 |
3 |
1 |
165 |
f |
[GOL]C:1108 |
x,y,z |
1_555 |
3 |
1 |
219 |
22.8 |
0.5 |
0.791 |
1 |
0 |
0 |
0.000 |
43 |
|
[GOL]C:1108 |
3 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
12869 |
19.3 |
0.3 |
0.628 |
0 |
0 |
0 |
0.000 |
44 |
|
[NO3]A:304 |
1 |
1 |
164 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7281 |
13.1 |
0.6 |
0.927 |
0 |
0 |
0 |
0.000 |
45 |
|
C |
3 |
1 |
44665 |
◊ |
C |
-y,-x,-z-1/2 |
8_554 |
3 |
1 |
44665 |
12.3 |
0.5 |
0.813 |
0 |
0 |
0 |
0.000 |
46 |
|
[NO3]A:303 |
1 |
1 |
165 |
◊ |
C |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
1 |
1 |
44665 |
7.6 |
-0.0 |
0.502 |
0 |
0 |
0 |
0.000 |
47 |
|
[F2X]C:1116 |
1 |
1 |
335 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
2 |
1 |
12869 |
6.7 |
1.1 |
0.522 |
0 |
0 |
0 |
0.000 |
48 |
|
[NO3]C:1113 |
1 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
12869 |
3.6 |
-0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
|