| ## |
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 |
469 |
114 |
18565 |
◊ |
L |
x,y,z |
1_555 |
448 |
107 |
17739 |
4187.8 |
-63.3 |
0.913 |
49 |
14 |
0 |
0.400 |
2 |
|
H |
265 |
79 |
14701 |
◊ |
M |
x,y,z |
1_555 |
244 |
60 |
18565 |
2534.4 |
-19.7 |
0.864 |
37 |
17 |
0 |
0.406 |
3 |
|
H |
185 |
56 |
14701 |
◊ |
L |
x,y,z |
1_555 |
150 |
39 |
17739 |
1529.6 |
-17.2 |
0.733 |
16 |
2 |
0 |
0.393 |
4 |
|
[SPN]M:600 |
42 |
1 |
1175 |
f |
M |
x,y,z |
1_555 |
106 |
29 |
18565 |
751.0 |
-5.6 |
0.668 |
1 |
0 |
0 |
0.091 |
5 |
|
[U10]L:504 |
45 |
1 |
1223 |
f |
L |
x,y,z |
1_555 |
83 |
31 |
17739 |
635.3 |
-12.7 |
0.723 |
5 |
0 |
0 |
0.238 |
6 |
|
[BCL]M:502 |
57 |
1 |
1360 |
f |
M |
x,y,z |
1_555 |
84 |
29 |
18565 |
576.4 |
-10.9 |
0.472 |
1 |
0 |
0 |
0.170 |
7 |
|
[BCL]L:502 |
58 |
1 |
1333 |
f |
L |
x,y,z |
1_555 |
91 |
28 |
17739 |
543.5 |
-9.1 |
0.667 |
2 |
0 |
0 |
0.159 |
8 |
|
[BPH]L:503 |
52 |
1 |
1358 |
◊ |
L |
x,y,z |
1_555 |
91 |
28 |
17739 |
533.7 |
-6.7 |
0.782 |
1 |
0 |
0 |
0.033 |
9 |
|
[CDL]M:800 |
54 |
1 |
1609 |
◊ |
M |
x,y,z |
1_555 |
65 |
16 |
18565 |
523.7 |
-9.8 |
0.635 |
5 |
0 |
0 |
0.180 |
10 |
|
[BPH]M:503 |
42 |
1 |
1371 |
◊ |
M |
x,y,z |
1_555 |
63 |
20 |
18565 |
449.5 |
-4.9 |
0.663 |
1 |
0 |
0 |
0.024 |
11 |
|
[U10]M:504 |
37 |
1 |
1182 |
f |
M |
x,y,z |
1_555 |
69 |
20 |
18565 |
434.2 |
-5.9 |
0.808 |
2 |
0 |
0 |
0.102 |
12 |
|
[BCL]M:501 |
43 |
1 |
1203 |
f |
M |
x,y,z |
1_555 |
37 |
15 |
18565 |
364.2 |
-9.9 |
0.157 |
0 |
0 |
0 |
0.149 |
13 |
|
L |
37 |
10 |
17739 |
◊ |
H |
-y+1,x-y+1,z+1/3 |
2_665 |
38 |
12 |
14701 |
349.9 |
-2.5 |
0.814 |
3 |
0 |
0 |
0.000 |
14 |
|
[BCL]L:501 |
41 |
1 |
1200 |
f |
L |
x,y,z |
1_555 |
41 |
14 |
17739 |
303.7 |
-7.6 |
0.381 |
0 |
0 |
0 |
0.121 |
15 |
|
[CDL]M:800 |
30 |
1 |
1609 |
◊ |
H |
x,y,z |
1_555 |
41 |
10 |
14701 |
300.5 |
-5.7 |
0.423 |
1 |
0 |
0 |
0.080 |
16 |
|
H |
34 |
12 |
14701 |
◊ |
M |
-x+1,-x+y,-z+1/3 |
6_655 |
26 |
7 |
18565 |
293.0 |
-0.8 |
0.852 |
3 |
1 |
0 |
0.000 |
17 |
|
[LDA]L:709 |
15 |
1 |
510 |
f |
L |
x,y,z |
1_555 |
32 |
12 |
17739 |
250.3 |
2.0 |
0.494 |
0 |
0 |
0 |
0.000 |
18 |
|
[BPH]M:503 |
34 |
1 |
1371 |
f |
L |
x,y,z |
1_555 |
29 |
9 |
17739 |
249.8 |
-7.3 |
0.297 |
0 |
0 |
0 |
0.116 |
19 |
|
[BCL]M:501 |
29 |
1 |
1203 |
◊ |
L |
x,y,z |
1_555 |
31 |
8 |
17739 |
242.1 |
-4.2 |
0.579 |
1 |
0 |
0 |
0.021 |
20 |
|
[BPH]L:503 |
24 |
1 |
1358 |
◊ |
[BCL]L:501 |
x,y,z |
1_555 |
34 |
1 |
1200 |
241.8 |
-1.8 |
0.621 |
0 |
0 |
0 |
0.008 |
21 |
|
[U10]M:504 |
18 |
1 |
1182 |
◊ |
L |
x,y,z |
1_555 |
35 |
11 |
17739 |
235.5 |
-6.5 |
0.535 |
0 |
0 |
0 |
0.030 |
22 |
|
M |
28 |
12 |
18565 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
23 |
9 |
17739 |
234.1 |
-3.0 |
0.646 |
1 |
0 |
0 |
0.000 |
23 |
|
[BPH]L:503 |
34 |
1 |
1358 |
f |
M |
x,y,z |
1_555 |
31 |
10 |
18565 |
220.6 |
-7.1 |
0.219 |
0 |
0 |
0 |
0.107 |
24 |
|
[BPH]M:503 |
41 |
1 |
1371 |
◊ |
[BCL]M:502 |
x,y,z |
1_555 |
20 |
1 |
1360 |
219.5 |
0.5 |
0.799 |
0 |
0 |
0 |
0.000 |
25 |
|
[BCL]L:501 |
28 |
1 |
1200 |
◊ |
M |
x,y,z |
1_555 |
30 |
9 |
18565 |
216.7 |
-3.3 |
0.537 |
0 |
0 |
0 |
0.015 |
26 |
|
[BCL]L:501 |
23 |
1 |
1200 |
f |
[BCL]L:502 |
x,y,z |
1_555 |
25 |
1 |
1333 |
186.7 |
-1.5 |
0.646 |
0 |
0 |
0 |
0.023 |
27 |
|
[LDA]M:701 |
13 |
1 |
521 |
◊ |
M |
x,y,z |
1_555 |
27 |
9 |
18565 |
182.4 |
-1.2 |
0.224 |
0 |
0 |
0 |
0.012 |
28 |
|
[BCL]M:501 |
21 |
1 |
1203 |
f |
[BCL]M:502 |
x,y,z |
1_555 |
27 |
1 |
1360 |
181.9 |
-1.4 |
0.648 |
0 |
0 |
0 |
0.022 |
29 |
|
[BPH]L:503 |
34 |
1 |
1358 |
◊ |
[BCL]L:502 |
x,y,z |
1_555 |
19 |
1 |
1333 |
175.0 |
-0.3 |
0.745 |
0 |
0 |
0 |
0.002 |
30 |
|
[BPH]M:503 |
17 |
1 |
1371 |
◊ |
[BCL]M:501 |
x,y,z |
1_555 |
30 |
1 |
1203 |
171.3 |
-1.3 |
0.535 |
0 |
0 |
0 |
0.006 |
31 |
|
[SPN]M:600 |
20 |
1 |
1175 |
f |
[BCL]M:501 |
x,y,z |
1_555 |
24 |
1 |
1203 |
157.8 |
-1.3 |
0.566 |
0 |
0 |
0 |
0.019 |
32 |
|
[LDA]H:703 |
14 |
1 |
508 |
◊ |
H |
x,y,z |
1_555 |
22 |
9 |
14701 |
157.2 |
0.5 |
0.283 |
0 |
0 |
0 |
0.000 |
33 |
|
[BCL]M:502 |
29 |
1 |
1360 |
◊ |
[BCL]L:502 |
x,y,z |
1_555 |
30 |
1 |
1333 |
146.0 |
-3.4 |
0.561 |
0 |
0 |
0 |
0.016 |
34 |
|
H |
15 |
7 |
14701 |
◊ |
H |
y,x,-z |
4_555 |
15 |
7 |
14701 |
141.6 |
-2.1 |
0.451 |
3 |
0 |
0 |
0.000 |
35 |
|
H |
16 |
5 |
14701 |
◊ |
L |
-x+1,-x+y,-z+1/3 |
6_655 |
17 |
5 |
17739 |
129.4 |
-1.9 |
0.601 |
0 |
0 |
0 |
0.000 |
36 |
|
[BCL]M:502 |
17 |
1 |
1360 |
◊ |
L |
x,y,z |
1_555 |
22 |
7 |
17739 |
126.7 |
-2.0 |
0.618 |
0 |
0 |
0 |
0.009 |
37 |
|
[LDA]M:701 |
13 |
1 |
521 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
14701 |
121.9 |
-1.5 |
0.104 |
0 |
0 |
0 |
0.100 |
38 |
|
[LDA]H:703 |
13 |
1 |
508 |
f |
M |
x,y,z |
1_555 |
18 |
6 |
18565 |
106.5 |
0.6 |
0.312 |
0 |
0 |
0 |
0.000 |
39 |
|
[LDA]L:704 |
11 |
1 |
520 |
◊ |
[LDA]H:703 |
x,y,z |
1_555 |
11 |
1 |
508 |
103.8 |
3.6 |
0.218 |
0 |
0 |
0 |
0.000 |
40 |
|
[U10]M:504 |
15 |
1 |
1182 |
f |
[BPH]L:503 |
x,y,z |
1_555 |
8 |
1 |
1358 |
98.9 |
-2.0 |
0.639 |
0 |
0 |
0 |
0.031 |
41 |
|
[BCL]L:502 |
14 |
1 |
1333 |
◊ |
M |
x,y,z |
1_555 |
12 |
6 |
18565 |
95.2 |
-2.1 |
0.455 |
0 |
0 |
0 |
0.010 |
42 |
|
[LDA]M:701 |
10 |
1 |
521 |
◊ |
[BCL]L:501 |
x,y,z |
1_555 |
12 |
1 |
1200 |
91.7 |
2.3 |
0.500 |
0 |
0 |
0 |
0.000 |
43 |
|
[CDL]M:800 |
11 |
1 |
1609 |
◊ |
L |
x,y,z |
1_555 |
15 |
5 |
17739 |
81.1 |
0.5 |
0.871 |
0 |
0 |
0 |
0.000 |
44 |
|
[U10]M:504 |
9 |
1 |
1182 |
◊ |
[LDA]L:704 |
x,y,z |
1_555 |
9 |
1 |
520 |
81.1 |
2.4 |
0.572 |
0 |
0 |
0 |
0.000 |
45 |
|
[LDA]L:704 |
7 |
1 |
520 |
◊ |
M |
x,y,z |
1_555 |
10 |
3 |
18565 |
63.4 |
0.9 |
0.439 |
0 |
0 |
0 |
0.000 |
46 |
|
[LDA]L:704 |
7 |
1 |
520 |
f |
L |
x,y,z |
1_555 |
5 |
2 |
17739 |
62.0 |
-1.5 |
0.141 |
0 |
0 |
0 |
0.023 |
47 |
|
[U10]M:504 |
9 |
1 |
1182 |
f |
[LDA]H:703 |
x,y,z |
1_555 |
4 |
1 |
508 |
56.4 |
-0.4 |
0.432 |
0 |
0 |
0 |
0.006 |
48 |
|
L |
6 |
2 |
17739 |
x |
L |
-y+1,x-y+1,z+1/3 |
2_665 |
5 |
1 |
17739 |
54.4 |
1.1 |
0.889 |
2 |
3 |
0 |
0.000 |
49 |
|
[FE]M:500 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
9 |
4 |
18565 |
47.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.131 |
50 |
|
[BCL]M:501 |
7 |
1 |
1203 |
◊ |
[BCL]L:502 |
x,y,z |
1_555 |
9 |
1 |
1333 |
45.5 |
-1.3 |
0.515 |
0 |
0 |
0 |
0.006 |
51 |
|
[FE]M:500 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17739 |
44.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.029 |
52 |
|
[U10]M:504 |
8 |
1 |
1182 |
◊ |
[BCL]L:502 |
x,y,z |
1_555 |
2 |
1 |
1333 |
40.7 |
0.5 |
0.849 |
0 |
0 |
0 |
0.000 |
53 |
|
[U10]M:504 |
6 |
1 |
1182 |
◊ |
[BCL]L:501 |
x,y,z |
1_555 |
3 |
1 |
1200 |
39.2 |
0.6 |
0.795 |
0 |
0 |
0 |
0.000 |
54 |
|
[BCL]L:501 |
5 |
1 |
1200 |
◊ |
[BCL]M:502 |
x,y,z |
1_555 |
7 |
1 |
1360 |
36.9 |
-0.9 |
0.498 |
0 |
0 |
0 |
0.004 |
55 |
|
[LDA]M:701 |
5 |
1 |
521 |
◊ |
[LDA]H:703 |
x,y,z |
1_555 |
2 |
1 |
508 |
35.7 |
0.2 |
0.164 |
0 |
0 |
0 |
0.000 |
56 |
|
[LDA]L:704 |
3 |
1 |
520 |
f |
[BCL]L:501 |
x,y,z |
1_555 |
4 |
1 |
1200 |
33.7 |
1.5 |
0.508 |
0 |
0 |
0 |
0.000 |
57 |
|
[U10]L:504 |
8 |
1 |
1223 |
◊ |
[BCL]M:501 |
x,y,z |
1_555 |
3 |
1 |
1203 |
31.5 |
-0.1 |
0.795 |
0 |
0 |
0 |
0.000 |
58 |
|
[LDA]M:701 |
4 |
1 |
521 |
◊ |
[LDA]L:704 |
x,y,z |
1_555 |
1 |
1 |
520 |
29.1 |
0.3 |
0.253 |
0 |
0 |
0 |
0.000 |
59 |
|
[LDA]M:701 |
2 |
1 |
521 |
◊ |
L |
x,y,z |
1_555 |
4 |
3 |
17739 |
28.2 |
-0.6 |
0.268 |
0 |
0 |
0 |
0.010 |
60 |
|
[LDA]L:704 |
4 |
1 |
520 |
f |
[BCL]L:502 |
x,y,z |
1_555 |
3 |
1 |
1333 |
23.8 |
0.9 |
0.464 |
0 |
0 |
0 |
0.000 |
61 |
|
[LDA]H:703 |
2 |
1 |
508 |
◊ |
[BCL]L:501 |
x,y,z |
1_555 |
4 |
1 |
1200 |
21.5 |
0.3 |
0.309 |
0 |
0 |
0 |
0.000 |
62 |
|
[U10]M:504 |
1 |
1 |
1182 |
◊ |
[LDA]M:701 |
x,y,z |
1_555 |
3 |
1 |
521 |
19.4 |
-0.1 |
0.293 |
0 |
0 |
0 |
0.001 |
63 |
|
[LDA]H:703 |
2 |
1 |
508 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
17739 |
11.7 |
-0.3 |
0.364 |
0 |
0 |
0 |
0.001 |
64 |
|
[U10]L:504 |
1 |
1 |
1223 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
18565 |
7.9 |
-0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
65 |
|
[U10]M:504 |
1 |
1 |
1182 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
14701 |
5.1 |
0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
66 |
|
[U10]L:504 |
1 |
1 |
1223 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
14701 |
3.5 |
-0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
67 |
|
[U10]M:504 |
1 |
1 |
1182 |
f |
[FE]M:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
68 |
|
[BPH]M:503 |
1 |
1 |
1371 |
f |
[U10]L:504 |
x,y,z |
1_555 |
1 |
1 |
1223 |
2.4 |
-0.1 |
0.654 |
0 |
0 |
0 |
0.001 |
69 |
|
[SPN]M:600 |
1 |
1 |
1175 |
f |
[BCL]M:502 |
x,y,z |
1_555 |
1 |
1 |
1360 |
1.5 |
0.1 |
0.663 |
0 |
0 |
0 |
0.000 |
70 |
|
[FE]M:500 |
1 |
1 |
137 |
◊ |
[U10]L:504 |
x,y,z |
1_555 |
1 |
1 |
1223 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|