| ## |
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 |
475 |
115 |
18713 |
◊ |
L |
x,y,z |
1_555 |
457 |
110 |
17565 |
4243.1 |
-66.7 |
0.865 |
50 |
16 |
0 |
0.398 |
2 |
|
M |
249 |
61 |
18713 |
◊ |
H |
x,y,z |
1_555 |
276 |
80 |
14566 |
2595.2 |
-20.2 |
0.887 |
36 |
16 |
0 |
0.326 |
3 |
|
L |
150 |
38 |
17565 |
◊ |
H |
x,y,z |
1_555 |
178 |
56 |
14566 |
1501.3 |
-18.7 |
0.581 |
14 |
2 |
0 |
0.497 |
4 |
|
[SPN]M:1309 |
42 |
1 |
1155 |
f |
M |
x,y,z |
1_555 |
103 |
29 |
18713 |
744.4 |
-5.5 |
0.674 |
1 |
0 |
0 |
0.050 |
5 |
|
[BCL]M:1303 |
53 |
1 |
1350 |
f |
M |
x,y,z |
1_555 |
68 |
27 |
18713 |
563.4 |
-12.1 |
0.399 |
0 |
0 |
0 |
0.102 |
6 |
|
[BCL]L:1283 |
57 |
1 |
1325 |
f |
L |
x,y,z |
1_555 |
85 |
28 |
17565 |
531.2 |
-8.9 |
0.613 |
2 |
0 |
0 |
0.192 |
7 |
|
[CDL]M:1304 |
54 |
1 |
1463 |
f |
M |
x,y,z |
1_555 |
62 |
16 |
18713 |
526.7 |
-10.1 |
0.714 |
5 |
0 |
0 |
0.104 |
8 |
|
[BPH]L:1285 |
51 |
1 |
1346 |
◊ |
L |
x,y,z |
1_555 |
86 |
28 |
17565 |
516.0 |
-6.2 |
0.778 |
1 |
0 |
0 |
0.029 |
9 |
|
[U10]M:1310 |
38 |
1 |
1176 |
◊ |
M |
x,y,z |
1_555 |
66 |
20 |
18713 |
429.9 |
-5.9 |
0.773 |
2 |
0 |
0 |
0.029 |
10 |
|
[U10]L:1286 |
27 |
1 |
684 |
f |
L |
x,y,z |
1_555 |
57 |
22 |
17565 |
414.8 |
-6.1 |
0.680 |
5 |
0 |
0 |
0.164 |
11 |
|
[BCL]L:1282 |
42 |
1 |
1258 |
◊ |
L |
x,y,z |
1_555 |
52 |
14 |
17565 |
393.7 |
-5.5 |
0.635 |
2 |
0 |
0 |
0.028 |
12 |
|
H |
34 |
10 |
14566 |
◊ |
L |
-y-1,x-y,z+1/3 |
2_455 |
33 |
10 |
17565 |
335.8 |
-3.9 |
0.664 |
3 |
0 |
0 |
0.000 |
13 |
|
[BCL]L:1282 |
35 |
1 |
1258 |
f |
M |
x,y,z |
1_555 |
26 |
13 |
18713 |
322.3 |
-9.3 |
0.123 |
0 |
0 |
0 |
0.078 |
14 |
|
M |
30 |
9 |
18713 |
◊ |
H |
-x-1,-x+y-1,-z+1/3 |
6_445 |
35 |
13 |
14566 |
322.2 |
-0.2 |
0.895 |
5 |
0 |
0 |
0.000 |
15 |
|
[BCL]L:1284 |
41 |
1 |
1182 |
f |
L |
x,y,z |
1_555 |
42 |
13 |
17565 |
316.0 |
-8.1 |
0.332 |
0 |
0 |
0 |
0.160 |
16 |
|
[CDL]M:1304 |
25 |
1 |
1463 |
◊ |
H |
x,y,z |
1_555 |
38 |
9 |
14566 |
283.2 |
-7.4 |
0.478 |
0 |
0 |
0 |
0.063 |
17 |
|
L |
25 |
9 |
17565 |
◊ |
M |
-x-1,-x+y-1,-z+1/3 |
6_445 |
24 |
12 |
18713 |
254.9 |
-3.1 |
0.432 |
2 |
0 |
0 |
0.000 |
18 |
|
[U10]M:1310 |
17 |
1 |
1176 |
f |
L |
x,y,z |
1_555 |
37 |
11 |
17565 |
236.4 |
-6.8 |
0.454 |
0 |
0 |
0 |
0.135 |
19 |
|
[BPH]L:1285 |
24 |
1 |
1346 |
◊ |
[BCL]L:1284 |
x,y,z |
1_555 |
31 |
1 |
1182 |
236.1 |
-1.8 |
0.616 |
0 |
0 |
0 |
0.008 |
20 |
|
[BCL]M:1303 |
29 |
1 |
1350 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
30 |
1 |
1258 |
224.8 |
-1.5 |
0.602 |
0 |
0 |
0 |
0.012 |
21 |
|
[BPH]L:1285 |
34 |
1 |
1346 |
f |
M |
x,y,z |
1_555 |
31 |
10 |
18713 |
221.7 |
-7.0 |
0.194 |
0 |
0 |
0 |
0.059 |
22 |
|
[BCL]L:1284 |
28 |
1 |
1182 |
◊ |
M |
x,y,z |
1_555 |
32 |
10 |
18713 |
215.7 |
-2.7 |
0.555 |
0 |
0 |
0 |
0.012 |
23 |
|
[BCL]M:1303 |
25 |
1 |
1350 |
◊ |
L |
x,y,z |
1_555 |
29 |
10 |
17565 |
192.2 |
-1.3 |
0.781 |
0 |
0 |
0 |
0.006 |
24 |
|
[LDA]M:1305 |
16 |
1 |
518 |
f |
M |
x,y,z |
1_555 |
27 |
9 |
18713 |
190.7 |
-1.6 |
0.155 |
0 |
0 |
0 |
0.014 |
25 |
|
[BCL]L:1284 |
25 |
1 |
1182 |
f |
[BCL]L:1283 |
x,y,z |
1_555 |
27 |
1 |
1325 |
180.3 |
-1.5 |
0.637 |
0 |
0 |
0 |
0.029 |
26 |
|
[LDA]H:1251 |
13 |
1 |
507 |
◊ |
H |
x,y,z |
1_555 |
23 |
9 |
14566 |
178.5 |
0.1 |
0.297 |
1 |
0 |
0 |
0.006 |
27 |
|
[BPH]L:1285 |
36 |
1 |
1346 |
◊ |
[BCL]L:1283 |
x,y,z |
1_555 |
20 |
1 |
1325 |
174.4 |
0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
28 |
|
[BCL]M:1303 |
29 |
1 |
1350 |
◊ |
[BCL]L:1283 |
x,y,z |
1_555 |
31 |
1 |
1325 |
162.1 |
-3.7 |
0.560 |
0 |
0 |
0 |
0.016 |
29 |
|
H |
20 |
8 |
14566 |
◊ |
H |
x-y,-y,-z+2/3 |
5_555 |
20 |
8 |
14566 |
158.3 |
-2.3 |
0.520 |
3 |
0 |
0 |
0.000 |
30 |
|
L |
16 |
5 |
17565 |
◊ |
H |
-x-1,-x+y-1,-z+1/3 |
6_445 |
16 |
5 |
14566 |
131.2 |
-1.4 |
0.679 |
0 |
0 |
0 |
0.000 |
31 |
|
[LDA]M:1305 |
11 |
1 |
518 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
14566 |
125.6 |
-1.6 |
0.093 |
0 |
0 |
0 |
0.014 |
32 |
|
[SPN]M:1309 |
13 |
1 |
1155 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
17 |
1 |
1258 |
103.9 |
-1.6 |
0.505 |
0 |
0 |
0 |
0.014 |
33 |
|
[LDA]H:1251 |
14 |
1 |
507 |
◊ |
M |
x,y,z |
1_555 |
15 |
5 |
18713 |
103.0 |
1.6 |
0.368 |
0 |
0 |
0 |
0.000 |
34 |
|
[BCL]L:1283 |
20 |
1 |
1325 |
◊ |
M |
x,y,z |
1_555 |
15 |
6 |
18713 |
101.6 |
-2.1 |
0.510 |
0 |
0 |
0 |
0.009 |
35 |
|
[U10]M:1310 |
16 |
1 |
1176 |
◊ |
[BPH]L:1285 |
x,y,z |
1_555 |
8 |
1 |
1346 |
95.3 |
-1.5 |
0.661 |
0 |
0 |
0 |
0.006 |
36 |
|
[D12]M:1314 |
8 |
1 |
432 |
f |
[LDA]H:1251 |
x,y,z |
1_555 |
11 |
1 |
507 |
94.9 |
3.7 |
0.123 |
0 |
0 |
0 |
0.000 |
37 |
|
[CDL]M:1304 |
11 |
1 |
1463 |
◊ |
L |
x,y,z |
1_555 |
16 |
5 |
17565 |
93.3 |
0.4 |
0.912 |
0 |
0 |
0 |
0.000 |
38 |
|
[BCL]L:1284 |
11 |
1 |
1182 |
◊ |
[LDA]M:1305 |
x,y,z |
1_555 |
11 |
1 |
518 |
87.7 |
2.2 |
0.458 |
0 |
0 |
0 |
0.000 |
39 |
|
[D12]M:1314 |
8 |
1 |
432 |
f |
[U10]M:1310 |
x,y,z |
1_555 |
7 |
1 |
1176 |
82.1 |
2.6 |
0.260 |
0 |
0 |
0 |
0.000 |
40 |
|
[PO4]M:1307 |
5 |
1 |
189 |
f |
M |
x,y,z |
1_555 |
11 |
6 |
18713 |
80.4 |
-3.9 |
0.934 |
3 |
0 |
0 |
0.044 |
41 |
|
[D12]M:1314 |
7 |
1 |
432 |
◊ |
M |
x,y,z |
1_555 |
9 |
3 |
18713 |
64.5 |
1.3 |
0.211 |
0 |
0 |
0 |
0.000 |
42 |
|
[CL]M:1311 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
15 |
5 |
18713 |
58.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.059 |
43 |
|
L |
5 |
1 |
17565 |
x |
L |
-y-1,x-y,z+1/3 |
2_455 |
6 |
2 |
17565 |
55.5 |
1.4 |
0.916 |
2 |
4 |
0 |
0.000 |
44 |
|
[U10]M:1310 |
9 |
1 |
1176 |
f |
[LDA]H:1251 |
x,y,z |
1_555 |
4 |
1 |
507 |
52.5 |
-0.5 |
0.343 |
0 |
0 |
0 |
0.010 |
45 |
|
[CL]M:1311 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
8 |
5 |
17565 |
50.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.028 |
46 |
|
[BCL]L:1283 |
8 |
1 |
1325 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
6 |
1 |
1258 |
50.2 |
-1.5 |
0.453 |
0 |
0 |
0 |
0.006 |
47 |
|
[D12]M:1314 |
4 |
1 |
432 |
f |
L |
x,y,z |
1_555 |
5 |
2 |
17565 |
49.0 |
-0.9 |
0.114 |
0 |
0 |
0 |
0.017 |
48 |
|
[FE]M:1306 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
9 |
5 |
18713 |
48.7 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.075 |
49 |
|
[SPN]M:1309 |
9 |
1 |
1155 |
f |
[BCL]M:1303 |
x,y,z |
1_555 |
3 |
1 |
1350 |
46.3 |
1.6 |
0.762 |
0 |
0 |
0 |
0.000 |
50 |
|
[U10]M:1310 |
7 |
1 |
1176 |
f |
[BCL]L:1283 |
x,y,z |
1_555 |
3 |
1 |
1325 |
45.2 |
0.4 |
0.794 |
0 |
0 |
0 |
0.000 |
51 |
|
[BCL]M:1303 |
8 |
1 |
1350 |
◊ |
[BCL]L:1284 |
x,y,z |
1_555 |
6 |
1 |
1182 |
45.0 |
-1.3 |
0.479 |
0 |
0 |
0 |
0.006 |
52 |
|
[FE]M:1306 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
17565 |
44.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.029 |
53 |
|
[U10]M:1310 |
3 |
1 |
1176 |
f |
[BCL]L:1284 |
x,y,z |
1_555 |
5 |
1 |
1182 |
36.2 |
0.5 |
0.658 |
0 |
0 |
0 |
0.000 |
54 |
|
[LDA]M:1305 |
3 |
1 |
518 |
◊ |
[LDA]H:1251 |
x,y,z |
1_555 |
3 |
1 |
507 |
35.0 |
0.5 |
0.270 |
0 |
0 |
0 |
0.000 |
55 |
|
[D12]M:1314 |
3 |
1 |
432 |
f |
[BCL]L:1284 |
x,y,z |
1_555 |
4 |
1 |
1182 |
30.0 |
2.0 |
0.475 |
0 |
0 |
0 |
0.000 |
56 |
|
[D12]M:1314 |
4 |
1 |
432 |
f |
[BCL]L:1283 |
x,y,z |
1_555 |
3 |
1 |
1325 |
28.8 |
1.1 |
0.281 |
0 |
0 |
0 |
0.000 |
57 |
|
[LDA]M:1305 |
3 |
1 |
518 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
17565 |
27.8 |
-0.3 |
0.297 |
0 |
0 |
0 |
0.001 |
58 |
|
[U10]L:1286 |
2 |
1 |
684 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
5 |
1 |
1258 |
22.9 |
1.0 |
0.764 |
0 |
0 |
0 |
0.000 |
59 |
|
[U10]M:1310 |
1 |
1 |
1176 |
◊ |
[LDA]M:1305 |
x,y,z |
1_555 |
3 |
1 |
518 |
18.1 |
-0.1 |
0.320 |
0 |
0 |
0 |
0.000 |
60 |
|
[BCL]L:1284 |
3 |
1 |
1182 |
f |
[LDA]H:1251 |
x,y,z |
1_555 |
1 |
1 |
507 |
14.3 |
0.2 |
0.447 |
0 |
0 |
0 |
0.000 |
61 |
|
[D12]M:1314 |
1 |
1 |
432 |
◊ |
[LDA]M:1305 |
x,y,z |
1_555 |
3 |
1 |
518 |
10.0 |
0.7 |
0.214 |
0 |
0 |
0 |
0.000 |
62 |
|
[U10]L:1286 |
3 |
1 |
684 |
◊ |
M |
x,y,z |
1_555 |
2 |
2 |
18713 |
8.7 |
-0.0 |
0.718 |
0 |
0 |
0 |
0.000 |
63 |
|
[U10]M:1310 |
1 |
1 |
1176 |
◊ |
[FE]M:1306 |
x,y,z |
1_555 |
1 |
1 |
137 |
2.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
64 |
|
[U10]M:1310 |
1 |
1 |
1176 |
◊ |
H |
x,y,z |
1_555 |
2 |
2 |
14566 |
2.6 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
65 |
|
[LDA]H:1251 |
1 |
1 |
507 |
f |
L |
x,y,z |
1_555 |
1 |
1 |
17565 |
1.0 |
-0.0 |
0.437 |
0 |
0 |
0 |
0.000 |
66 |
|
[FE]M:1306 |
1 |
1 |
137 |
◊ |
[U10]L:1286 |
x,y,z |
1_555 |
1 |
1 |
684 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|