## |
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 |
90 |
28 |
25815 |
◊ |
A |
-x,-y,z |
2_555 |
89 |
28 |
25815 |
788.7 |
-15.0 |
0.017 |
6 |
0 |
0 |
0.247 |
2 |
|
A |
66 |
21 |
25815 |
x |
A |
-x+1/2,y-1/2,-z |
3_545 |
58 |
21 |
25815 |
577.3 |
-0.8 |
0.735 |
6 |
1 |
0 |
0.000 |
3 |
|
[LDA]A:756 |
15 |
1 |
507 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
25815 |
244.8 |
-0.8 |
0.109 |
0 |
0 |
0 |
0.000 |
4 |
|
[LDA]A:746 |
13 |
1 |
513 |
f |
A |
x,y,z |
1_555 |
36 |
12 |
25815 |
238.8 |
-0.9 |
0.194 |
1 |
0 |
0 |
0.038 |
5 |
|
[LDA]A:745 |
15 |
1 |
511 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
25815 |
235.5 |
1.0 |
0.229 |
0 |
0 |
0 |
0.000 |
6 |
|
[LDA]A:743 |
14 |
1 |
515 |
◊ |
A |
x,y,z |
1_555 |
36 |
14 |
25815 |
221.7 |
0.7 |
0.233 |
0 |
0 |
0 |
0.000 |
7 |
|
[LDA]A:744 |
14 |
1 |
512 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
25815 |
218.4 |
2.2 |
0.231 |
0 |
0 |
0 |
0.000 |
8 |
|
[LDA]A:750 |
14 |
1 |
512 |
f |
A |
x,y,z |
1_555 |
31 |
9 |
25815 |
218.3 |
2.0 |
0.295 |
0 |
0 |
0 |
0.000 |
9 |
|
A |
27 |
9 |
25815 |
x |
A |
-x+1/2,y-1/2,-z+1 |
3_546 |
27 |
10 |
25815 |
213.2 |
-2.6 |
0.404 |
2 |
0 |
0 |
0.000 |
10 |
|
[LDA]A:747 |
15 |
1 |
514 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
25815 |
210.2 |
-0.2 |
0.157 |
1 |
0 |
0 |
0.017 |
11 |
|
[LDA]A:755 |
12 |
1 |
501 |
f |
A |
x,y,z |
1_555 |
34 |
9 |
25815 |
190.2 |
1.9 |
0.307 |
0 |
0 |
0 |
0.000 |
12 |
|
[LDA]A:753 |
13 |
1 |
506 |
f |
A |
x,y,z |
1_555 |
24 |
7 |
25815 |
181.5 |
1.7 |
0.299 |
0 |
0 |
0 |
0.000 |
13 |
|
[CIT]A:2003 |
12 |
1 |
313 |
f |
A |
x,y,z |
1_555 |
35 |
16 |
25815 |
179.8 |
1.8 |
0.654 |
5 |
0 |
0 |
0.013 |
14 |
|
[LDA]A:749 |
13 |
1 |
515 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
25815 |
173.4 |
1.3 |
0.315 |
0 |
0 |
0 |
0.000 |
15 |
|
[CIT]A:2001 |
12 |
1 |
314 |
f |
A |
x,y,z |
1_555 |
34 |
14 |
25815 |
171.7 |
2.4 |
0.663 |
7 |
0 |
0 |
0.020 |
16 |
|
[LDA]A:754 |
13 |
1 |
511 |
◊ |
A |
x,y,z |
1_555 |
28 |
8 |
25815 |
169.8 |
2.8 |
0.442 |
1 |
0 |
0 |
0.000 |
17 |
|
[LDA]A:757 |
14 |
1 |
511 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
25815 |
169.2 |
2.5 |
0.351 |
2 |
0 |
0 |
0.000 |
18 |
|
[LDA]A:752 |
14 |
1 |
517 |
f |
A |
x,y,z |
1_555 |
25 |
7 |
25815 |
166.4 |
0.8 |
0.201 |
0 |
0 |
0 |
0.000 |
19 |
|
[LDA]A:751 |
12 |
1 |
517 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
25815 |
148.7 |
1.5 |
0.242 |
0 |
0 |
0 |
0.000 |
20 |
|
[LDA]A:748 |
11 |
1 |
512 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
25815 |
131.3 |
0.6 |
0.197 |
0 |
0 |
0 |
0.000 |
21 |
|
[LDA]A:743 |
13 |
1 |
515 |
f |
A |
-x,-y,z |
2_555 |
14 |
6 |
25815 |
130.4 |
-1.2 |
0.039 |
0 |
0 |
0 |
0.034 |
22 |
|
[LDA]A:758 |
7 |
1 |
512 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
25815 |
127.0 |
-1.7 |
0.159 |
1 |
0 |
0 |
0.059 |
23 |
|
A |
13 |
4 |
25815 |
◊ |
A |
-x+1,-y,z |
2_655 |
13 |
4 |
25815 |
113.6 |
-2.6 |
0.162 |
0 |
0 |
0 |
0.000 |
24 |
|
[LDA]A:744 |
8 |
1 |
512 |
◊ |
A |
-x,-y,z |
2_555 |
10 |
4 |
25815 |
76.5 |
0.2 |
0.211 |
0 |
0 |
0 |
0.000 |
25 |
|
[LDA]A:756 |
6 |
1 |
507 |
◊ |
A |
-x,-y,z |
2_555 |
13 |
4 |
25815 |
75.9 |
1.6 |
0.480 |
0 |
0 |
0 |
0.000 |
26 |
|
[LDA]A:749 |
6 |
1 |
515 |
◊ |
[LDA]A:748 |
x,y,z |
1_555 |
6 |
1 |
512 |
71.0 |
2.4 |
0.300 |
0 |
0 |
0 |
0.000 |
27 |
|
[LDA]A:756 |
7 |
1 |
507 |
◊ |
[LDA]A:743 |
-x,-y,z |
2_555 |
10 |
1 |
515 |
65.8 |
4.3 |
0.376 |
0 |
0 |
0 |
0.000 |
28 |
|
[LDA]A:757 |
7 |
1 |
511 |
f |
[LDA]A:753 |
x,y,z |
1_555 |
5 |
1 |
506 |
65.5 |
-1.0 |
0.102 |
0 |
0 |
0 |
0.028 |
29 |
|
A |
11 |
5 |
25815 |
f |
[LDA]A:751 |
-x+1/2,y-1/2,-z |
3_545 |
3 |
1 |
517 |
50.6 |
-0.9 |
0.289 |
0 |
0 |
0 |
0.025 |
30 |
|
[CIT]A:2003 |
6 |
1 |
313 |
f |
[CIT]A:2001 |
x,y,z |
1_555 |
6 |
1 |
314 |
49.0 |
-0.3 |
0.206 |
5 |
0 |
0 |
0.069 |
31 |
|
[FE]A:2002 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
25815 |
47.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.110 |
32 |
|
A |
8 |
3 |
25815 |
f |
[LDA]A:754 |
-x+1/2,y-1/2,-z |
3_545 |
4 |
1 |
511 |
45.6 |
0.4 |
0.456 |
0 |
0 |
0 |
0.000 |
33 |
|
[FE]A:2000 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
25815 |
44.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.127 |
34 |
|
[LDA]A:756 |
3 |
1 |
507 |
f |
[LDA]A:756 |
-x,-y,z |
2_555 |
3 |
1 |
507 |
38.0 |
-1.0 |
0.167 |
0 |
0 |
0 |
0.039 |
35 |
|
[LDA]A:750 |
4 |
1 |
512 |
◊ |
[LDA]A:743 |
x,y,z |
1_555 |
6 |
1 |
515 |
37.0 |
0.5 |
0.213 |
0 |
0 |
0 |
0.000 |
36 |
|
[CIT]A:2003 |
5 |
1 |
313 |
f |
[FE]A:2002 |
x,y,z |
1_555 |
1 |
1 |
137 |
34.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.118 |
37 |
|
[CIT]A:2001 |
5 |
1 |
314 |
f |
[FE]A:2000 |
x,y,z |
1_555 |
1 |
1 |
137 |
32.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.114 |
38 |
|
[CIT]A:2001 |
5 |
1 |
314 |
f |
[FE]A:2002 |
x,y,z |
1_555 |
1 |
1 |
137 |
32.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.100 |
39 |
|
[LDA]A:755 |
2 |
1 |
501 |
f |
[LDA]A:748 |
x,y,z |
1_555 |
3 |
1 |
512 |
32.3 |
-0.0 |
0.189 |
0 |
0 |
0 |
0.001 |
40 |
|
[CIT]A:2003 |
5 |
1 |
313 |
f |
[FE]A:2000 |
x,y,z |
1_555 |
1 |
1 |
137 |
32.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.085 |
41 |
|
[LDA]A:756 |
3 |
1 |
507 |
f |
[LDA]A:744 |
x,y,z |
1_555 |
2 |
1 |
512 |
32.0 |
-0.7 |
0.143 |
0 |
0 |
0 |
0.061 |
42 |
|
A |
4 |
1 |
25815 |
◊ |
[LDA]A:746 |
-x+1/2,y-1/2,-z+1 |
3_546 |
3 |
1 |
513 |
30.5 |
1.2 |
0.658 |
0 |
0 |
0 |
0.000 |
43 |
|
[LDA]A:749 |
2 |
1 |
515 |
f |
A |
-x+1/2,y-1/2,-z |
3_545 |
5 |
4 |
25815 |
23.3 |
-0.4 |
0.297 |
0 |
0 |
0 |
0.011 |
44 |
|
[FE]A:2002 |
1 |
1 |
137 |
f |
[FE]A:2000 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.096 |
45 |
|
[LDA]A:750 |
1 |
1 |
512 |
◊ |
A |
-x,-y,z |
2_555 |
1 |
1 |
25815 |
17.0 |
-0.1 |
0.493 |
0 |
0 |
0 |
0.002 |
46 |
|
[LDA]A:752 |
1 |
1 |
517 |
f |
[LDA]A:747 |
x,y,z |
1_555 |
1 |
1 |
514 |
1.7 |
-0.1 |
0.267 |
0 |
0 |
0 |
0.001 |
|