Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQPYTKNWTQVTEFVMMGFAGIHEAHLLFFILFLTMYLFTLVENLAIILVVGLDHRLRRPMYFFLTHLSCLEIWYTSVTVPKMLAGFIGVDGGKNISYADCLSQLFIFTFLGATECFLLAAMAYDRYVAICMPLHYGAFVSWGTCIRLAAACWLVGFLTPILPIYLLSQLTFYGPNVIDHFSCDASPLLALSCSDVTWKETVDFLVSLAVLLASSMVIAVSYGNIVWTLLHIRSAAERWKAFSTCAAHLTVVSLFYGTLFFMYVQTKVTSSINFNKVVSVFYSVVTPMLNPLIYSLRNKEVKGALGRVFSLNFWKGQ |
4LDE Chain:A ((200-355)) | -------------------------------------------NVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILTKTWTFGNFWCEFWTSIDVLCVTASIET--LCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPI----QMHWYRATHQEAINCYAEE----TC--------CDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKFALKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4LDE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -120054 for 1058 contacts (-113.5/contact) +
2D Compatibility (PS) -16252 + (NN) -5486 + (LL) 6604
1D Compatibility (HY) -12000 + (ID) 2000
Total energy: -149188.0 ( -141.01 by residue)
QMean score : 0.243
|
|
|