Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKHRRTQSRMSVLRRLAAVLGLGACALAAEAAEPLKIGFVYVGPVGDHGWTYQHELGRRELVEHFGDKVKTSFVENVAEGADAERVIRNLAKDGYGLVFTTSFGYMNPTAKVARQFPKVTFEHATGYKRDRNLGTYLSRSYEGRYVGGFLAAKMTRSHKIGYIASFPIPEVIRDINAIQLALDKYDPQAELKVMWVSTWFDPGKEADAANALIDQGVDVVFQHTDSPAPIQAAERRGVYAVGYASDMQHFGPKTVLTSIVNDWGPHYIRSAQAVMDGTWKSEDFWGGLAESTVVL-PLNQEVLPAPVREEAGRLIESIRSGAFHPFTGPIRDQSGKERFAAGVSATKADLASMNYYVEGIKADLPK |
3S99 Chain:A ((26-355)) | ---------------------------------KLKVGFIYIGPPGDFGWTYQHDQARKELVEALGDKVETTFLENVAEGADAERSIKRIARAGNKLIFTTSFGYMDPTVKVAKKFPDVKFEHATGYKTADNMSAYNARFYEGRYVQGVIAAKMSKKGIAGYIGSVPVPEVVQGINSFMLGAQSVNPDFRVKVIWVNSWFDPGKEADAAKALIDQGVDIITQHTDSTAAIQVAHDRGIKAFGQASDMIKFAPDTQLTAVVDEWGPYYIDRAKAVLDGTWKSQNIWWGMKEGLVKMAPFTN--MPDDVKKLAEETEARIKSGELNPFTGPIKKQDGSEWLKAGEKADDQTLLGMNFYVAGVDDKLP- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3S99.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -161246 for 2992 contacts (-53.9/contact) +
2D Compatibility (PS) -36061 + (NN) -13888 + (LL) 3836
1D Compatibility (HY) -30800 + (ID) 9100
Total energy: -247259.0 ( -82.64 by residue)
QMean score : 0.629
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