Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKHRRTQSRMSVLRRLAAVLGLGACALAAEAAEPLKIGFVYVGPVGDHGWTYQHELGRRELVEHFGDKVKTSFVENVAEGADAERVIRNLAKDGYGLVFTTSFGYMNPTAKVARQFPKVTFEHATGYKRDRNLGTYLSRSYEGRYVGGFLAAKMTRSHKIGYIASFPIPEVIRDINAIQLALDKYDPQAELKVMWVSTWFDPGKEADAANALIDQGVDVVFQHTDSPAPIQAAERRGVYAVGYASDMQHFGPKTVLTSIVNDWGPHYIRSAQAVMDGTWKSEDFWGGLAESTVVLPLNQEVLPAPVREEAGRLIESIRSGAFHPFTGPIRDQSGKERFAAGVSATKADLASMNYYVEGIKADLPK |
3S99 Chain:A ((26-355)) | ---------------------------------KLKVGFIYIGPPGDFGWTYQHDQARKELVEALGDKVETTFLENVAEGADAERSIKRIARAGNKLIFTTSFGYMDPTVKVAKKFPDVKFEHATGYKTADNMSAYNARFYEGRYVQGVIAAKMSKKGIAGYIGSVPVPEVVQGINSFMLGAQSVNPDFRVKVIWVNSWFDPGKEADAAKALIDQGVDIITQHTDSTAAIQVAHDRGIKAFGQASDMIKFAPDTQLTAVVDEWGPYYIDRAKAVLDGTWKSQNIWWGMKEGLVKMAPFTNM-PDDVKKLAEETEARIKSGELNPFTGPIKKQDGSEWLKAGEKADDQTLLGMNFYVAGVDDKLP- |
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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) -152840 for 3009 contacts (-50.8/contact) +
2D Compatibility (PS) -36146 + (NN) -13888 + (LL) 3716
1D Compatibility (HY) -30000 + (ID) 9050
Total energy: -238208.0 ( -79.17 by residue)
QMean score : 0.618
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