| ## |
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 |
|
M |
483 |
119 |
18848 |
◊ |
L |
x,y,z |
1_555 |
460 |
108 |
17714 |
4213.6 |
-63.6 |
0.906 |
54 |
14 |
0 |
0.419 |
2 |
|
H |
280 |
77 |
14789 |
◊ |
M |
x,y,z |
1_555 |
263 |
64 |
18848 |
2662.5 |
-19.5 |
0.849 |
38 |
14 |
0 |
0.499 |
3 |
|
H |
187 |
56 |
14789 |
◊ |
L |
x,y,z |
1_555 |
156 |
39 |
17714 |
1527.6 |
-17.5 |
0.674 |
15 |
2 |
0 |
0.339 |
4 |
|
[SPN]M:600 |
42 |
1 |
1174 |
f |
M |
x,y,z |
1_555 |
102 |
29 |
18848 |
735.9 |
-5.1 |
0.646 |
0 |
0 |
0 |
0.106 |
5 |
|
[BCL]M:502 |
58 |
1 |
1360 |
f |
M |
x,y,z |
1_555 |
82 |
29 |
18848 |
575.6 |
-10.7 |
0.453 |
1 |
0 |
0 |
0.232 |
6 |
|
[BCL]L:502 |
57 |
1 |
1333 |
f |
L |
x,y,z |
1_555 |
86 |
28 |
17714 |
545.1 |
-9.0 |
0.639 |
2 |
0 |
0 |
0.137 |
7 |
|
[U10]L:504 |
37 |
1 |
1241 |
f |
L |
x,y,z |
1_555 |
75 |
25 |
17714 |
543.4 |
-9.7 |
0.755 |
5 |
0 |
0 |
0.165 |
8 |
|
[CDL]M:800 |
53 |
1 |
1618 |
◊ |
M |
x,y,z |
1_555 |
64 |
15 |
18848 |
536.9 |
-10.2 |
0.589 |
4 |
0 |
0 |
0.250 |
9 |
|
[BPH]L:503 |
54 |
1 |
1357 |
f |
L |
x,y,z |
1_555 |
89 |
28 |
17714 |
535.2 |
-6.7 |
0.783 |
1 |
0 |
0 |
0.099 |
10 |
|
[U10]M:504 |
36 |
1 |
1190 |
◊ |
M |
x,y,z |
1_555 |
64 |
19 |
18848 |
429.9 |
-5.7 |
0.771 |
2 |
0 |
0 |
0.031 |
11 |
|
[BPH]M:503 |
39 |
1 |
1109 |
◊ |
M |
x,y,z |
1_555 |
62 |
20 |
18848 |
408.2 |
-3.3 |
0.641 |
1 |
0 |
0 |
0.018 |
12 |
|
[BCL]M:501 |
43 |
1 |
1205 |
f |
M |
x,y,z |
1_555 |
34 |
15 |
18848 |
371.2 |
-10.0 |
0.107 |
0 |
0 |
0 |
0.209 |
13 |
|
L |
35 |
10 |
17714 |
◊ |
H |
-y+1,x-y+1,z+1/3 |
2_665 |
37 |
13 |
14789 |
352.6 |
-2.3 |
0.805 |
3 |
0 |
0 |
0.000 |
14 |
|
H |
37 |
13 |
14789 |
◊ |
M |
-x+1,-x+y,-z+1/3 |
6_655 |
24 |
7 |
18848 |
309.1 |
-0.7 |
0.842 |
4 |
1 |
0 |
0.000 |
15 |
|
[BCL]L:501 |
41 |
1 |
1201 |
f |
L |
x,y,z |
1_555 |
37 |
14 |
17714 |
308.3 |
-7.9 |
0.307 |
0 |
0 |
0 |
0.109 |
16 |
|
[CDL]M:800 |
30 |
1 |
1618 |
◊ |
H |
x,y,z |
1_555 |
42 |
10 |
14789 |
305.3 |
-5.8 |
0.406 |
1 |
0 |
0 |
0.079 |
17 |
|
[BPH]L:503 |
25 |
1 |
1357 |
f |
[BCL]L:501 |
x,y,z |
1_555 |
33 |
1 |
1201 |
242.7 |
-1.8 |
0.631 |
0 |
0 |
0 |
0.025 |
18 |
|
[BCL]M:501 |
29 |
1 |
1205 |
◊ |
L |
x,y,z |
1_555 |
32 |
8 |
17714 |
241.4 |
-4.0 |
0.608 |
1 |
0 |
0 |
0.021 |
19 |
|
[U10]M:504 |
17 |
1 |
1190 |
f |
L |
x,y,z |
1_555 |
35 |
11 |
17714 |
239.0 |
-6.7 |
0.490 |
0 |
0 |
0 |
0.094 |
20 |
|
[BPH]M:503 |
34 |
1 |
1109 |
f |
L |
x,y,z |
1_555 |
29 |
9 |
17714 |
237.6 |
-6.8 |
0.239 |
0 |
0 |
0 |
0.095 |
21 |
|
M |
26 |
13 |
18848 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
25 |
8 |
17714 |
237.5 |
-2.9 |
0.575 |
0 |
0 |
0 |
0.000 |
22 |
|
[BPH]L:503 |
34 |
1 |
1357 |
◊ |
M |
x,y,z |
1_555 |
32 |
10 |
18848 |
218.2 |
-6.9 |
0.234 |
0 |
0 |
0 |
0.032 |
23 |
|
[BCL]L:501 |
27 |
1 |
1201 |
◊ |
M |
x,y,z |
1_555 |
31 |
9 |
18848 |
215.9 |
-3.2 |
0.521 |
0 |
0 |
0 |
0.015 |
24 |
|
[BPH]M:503 |
34 |
1 |
1109 |
◊ |
[BCL]M:502 |
x,y,z |
1_555 |
20 |
1 |
1360 |
204.9 |
0.6 |
0.684 |
0 |
0 |
0 |
0.000 |
25 |
|
[BCL]M:501 |
21 |
1 |
1205 |
f |
[BCL]M:502 |
x,y,z |
1_555 |
26 |
1 |
1360 |
186.8 |
-0.2 |
0.704 |
0 |
0 |
0 |
0.004 |
26 |
|
[BCL]L:501 |
23 |
1 |
1201 |
f |
[BCL]L:502 |
x,y,z |
1_555 |
26 |
1 |
1333 |
185.4 |
-1.4 |
0.648 |
0 |
0 |
0 |
0.020 |
27 |
|
[LDA]M:701 |
13 |
1 |
521 |
◊ |
M |
x,y,z |
1_555 |
26 |
9 |
18848 |
181.4 |
-1.1 |
0.213 |
0 |
0 |
0 |
0.014 |
28 |
|
[BPH]L:503 |
35 |
1 |
1357 |
f |
[BCL]L:502 |
x,y,z |
1_555 |
19 |
1 |
1333 |
173.4 |
-0.4 |
0.748 |
0 |
0 |
0 |
0.006 |
29 |
|
[SPN]M:600 |
20 |
1 |
1174 |
f |
[BCL]M:501 |
x,y,z |
1_555 |
24 |
1 |
1205 |
162.8 |
-1.2 |
0.568 |
0 |
0 |
0 |
0.026 |
30 |
|
[LDA]H:703 |
14 |
1 |
507 |
◊ |
H |
x,y,z |
1_555 |
22 |
9 |
14789 |
159.5 |
0.6 |
0.288 |
0 |
0 |
0 |
0.000 |
31 |
|
H |
20 |
6 |
14789 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
16 |
7 |
17714 |
149.9 |
-1.7 |
0.662 |
1 |
0 |
0 |
0.000 |
32 |
|
[BCL]M:502 |
29 |
1 |
1360 |
◊ |
[BCL]L:502 |
x,y,z |
1_555 |
30 |
1 |
1333 |
146.7 |
-3.4 |
0.567 |
0 |
0 |
0 |
0.016 |
33 |
|
H |
15 |
7 |
14789 |
◊ |
H |
y,x,-z |
4_555 |
15 |
7 |
14789 |
144.9 |
-2.3 |
0.405 |
1 |
0 |
0 |
0.000 |
34 |
|
[BPH]M:503 |
13 |
1 |
1109 |
◊ |
[BCL]M:501 |
x,y,z |
1_555 |
27 |
1 |
1205 |
127.6 |
-0.8 |
0.514 |
0 |
0 |
0 |
0.004 |
35 |
|
[BCL]M:502 |
18 |
1 |
1360 |
◊ |
L |
x,y,z |
1_555 |
20 |
7 |
17714 |
126.2 |
-2.0 |
0.624 |
0 |
0 |
0 |
0.010 |
36 |
|
[LDA]M:701 |
13 |
1 |
521 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
14789 |
122.9 |
-1.6 |
0.090 |
0 |
0 |
0 |
0.100 |
37 |
|
[LDA]M:704 |
11 |
1 |
520 |
f |
[LDA]H:703 |
x,y,z |
1_555 |
11 |
1 |
507 |
111.5 |
3.7 |
0.242 |
0 |
0 |
0 |
0.000 |
38 |
|
[LDA]H:703 |
14 |
1 |
507 |
◊ |
M |
x,y,z |
1_555 |
18 |
6 |
18848 |
107.0 |
0.5 |
0.281 |
0 |
0 |
0 |
0.000 |
39 |
|
[BCL]L:502 |
16 |
1 |
1333 |
◊ |
M |
x,y,z |
1_555 |
14 |
6 |
18848 |
96.9 |
-2.1 |
0.501 |
0 |
0 |
0 |
0.010 |
40 |
|
[U10]M:504 |
14 |
1 |
1190 |
f |
[BPH]L:503 |
x,y,z |
1_555 |
7 |
1 |
1357 |
91.4 |
-2.1 |
0.603 |
0 |
0 |
0 |
0.029 |
41 |
|
[LDA]M:701 |
10 |
1 |
521 |
◊ |
[BCL]L:501 |
x,y,z |
1_555 |
12 |
1 |
1201 |
91.2 |
2.3 |
0.499 |
0 |
0 |
0 |
0.000 |
42 |
|
[CDL]M:800 |
12 |
1 |
1618 |
◊ |
L |
x,y,z |
1_555 |
17 |
5 |
17714 |
83.8 |
0.3 |
0.874 |
0 |
0 |
0 |
0.000 |
43 |
|
[LDA]M:704 |
10 |
1 |
520 |
f |
[U10]M:504 |
x,y,z |
1_555 |
9 |
1 |
1190 |
80.3 |
2.5 |
0.556 |
0 |
0 |
0 |
0.000 |
44 |
|
[LDA]M:704 |
8 |
1 |
520 |
◊ |
M |
x,y,z |
1_555 |
10 |
3 |
18848 |
61.8 |
1.7 |
0.507 |
0 |
0 |
0 |
0.000 |
45 |
|
[LDA]H:703 |
4 |
1 |
507 |
f |
[U10]M:504 |
x,y,z |
1_555 |
9 |
1 |
1190 |
56.9 |
-0.4 |
0.419 |
0 |
0 |
0 |
0.005 |
46 |
|
L |
6 |
2 |
17714 |
x |
L |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
1 |
17714 |
56.8 |
1.2 |
0.908 |
2 |
4 |
0 |
0.000 |
47 |
|
[LDA]M:704 |
4 |
1 |
520 |
f |
L |
x,y,z |
1_555 |
4 |
2 |
17714 |
49.5 |
-0.6 |
0.234 |
0 |
0 |
0 |
0.008 |
48 |
|
[FE]M:500 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
9 |
4 |
18848 |
46.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.176 |
49 |
|
[U10]L:504 |
6 |
1 |
1241 |
◊ |
[BCL]M:501 |
x,y,z |
1_555 |
6 |
1 |
1205 |
45.3 |
-0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
50 |
|
[BCL]M:501 |
7 |
1 |
1205 |
◊ |
[BCL]L:502 |
x,y,z |
1_555 |
8 |
1 |
1333 |
45.1 |
-1.3 |
0.509 |
0 |
0 |
0 |
0.006 |
51 |
|
[FE]M:500 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17714 |
43.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.029 |
52 |
|
[U10]M:504 |
6 |
1 |
1190 |
f |
[BCL]L:501 |
x,y,z |
1_555 |
5 |
1 |
1201 |
40.4 |
0.7 |
0.784 |
0 |
0 |
0 |
0.000 |
53 |
|
[U10]M:504 |
9 |
1 |
1190 |
f |
[BCL]L:502 |
x,y,z |
1_555 |
2 |
1 |
1333 |
37.2 |
0.4 |
0.856 |
0 |
0 |
0 |
0.000 |
54 |
|
[BCL]L:501 |
5 |
1 |
1201 |
◊ |
[BCL]M:502 |
x,y,z |
1_555 |
8 |
1 |
1360 |
36.8 |
-0.9 |
0.504 |
0 |
0 |
0 |
0.004 |
55 |
|
[LDA]M:701 |
5 |
1 |
521 |
◊ |
[LDA]H:703 |
x,y,z |
1_555 |
2 |
1 |
507 |
34.7 |
0.2 |
0.164 |
0 |
0 |
0 |
0.000 |
56 |
|
[LDA]M:704 |
2 |
1 |
520 |
◊ |
[LDA]M:701 |
x,y,z |
1_555 |
5 |
1 |
521 |
31.3 |
0.3 |
0.205 |
0 |
0 |
0 |
0.000 |
57 |
|
[LDA]M:704 |
4 |
1 |
520 |
f |
[BCL]L:501 |
x,y,z |
1_555 |
3 |
1 |
1201 |
29.3 |
0.8 |
0.434 |
0 |
0 |
0 |
0.000 |
58 |
|
[LDA]M:701 |
2 |
1 |
521 |
◊ |
L |
x,y,z |
1_555 |
4 |
3 |
17714 |
26.1 |
-0.6 |
0.270 |
0 |
0 |
0 |
0.008 |
59 |
|
[LDA]M:704 |
3 |
1 |
520 |
f |
[BCL]L:502 |
x,y,z |
1_555 |
3 |
1 |
1333 |
22.8 |
1.1 |
0.591 |
0 |
0 |
0 |
0.000 |
60 |
|
[LDA]H:703 |
2 |
1 |
507 |
f |
[BCL]L:501 |
x,y,z |
1_555 |
4 |
1 |
1201 |
21.3 |
0.3 |
0.308 |
0 |
0 |
0 |
0.000 |
61 |
|
[LDA]M:701 |
3 |
1 |
521 |
◊ |
[U10]M:504 |
x,y,z |
1_555 |
1 |
1 |
1190 |
20.6 |
-0.2 |
0.293 |
0 |
0 |
0 |
0.002 |
62 |
|
[U10]L:504 |
2 |
1 |
1241 |
f |
[BPH]M:503 |
x,y,z |
1_555 |
2 |
1 |
1109 |
18.9 |
-0.6 |
0.452 |
0 |
0 |
0 |
0.008 |
63 |
|
[LDA]M:704 |
2 |
1 |
520 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
14789 |
16.2 |
-0.5 |
0.294 |
0 |
0 |
0 |
0.007 |
64 |
|
[LDA]H:703 |
2 |
1 |
507 |
f |
L |
x,y,z |
1_555 |
2 |
1 |
17714 |
11.7 |
-0.3 |
0.362 |
0 |
0 |
0 |
0.004 |
65 |
|
[U10]M:504 |
1 |
1 |
1190 |
◊ |
[FE]M:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
8.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
66 |
|
[U10]L:504 |
2 |
1 |
1241 |
◊ |
M |
x,y,z |
1_555 |
4 |
3 |
18848 |
7.9 |
-0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
67 |
|
[U10]M:504 |
2 |
1 |
1190 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
14789 |
6.7 |
0.2 |
0.732 |
0 |
0 |
0 |
0.000 |
68 |
|
[SPN]M:600 |
1 |
1 |
1174 |
f |
[BCL]M:502 |
x,y,z |
1_555 |
1 |
1 |
1360 |
1.5 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
|