Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKHRRTQSRMSVLRRLAAVLGLGACALAAEAAEPLKIGFVYVGPVGDHGWTYQHELGRRELVEHFGDKVKT--SFVENVAEGADAERVIRNLAKDGYGLVFTTSFGYMNPTAKVARQFPKVTFEHATGYKRDRNLGTYLSRSYEGRYVGGFLAAKMTRSHKIGYIASFPIPEVIRDINAIQLALDKYDPQAELKVMWVSTWFDPGKEADAANALIDQGVDVVFQHTDSPAPIQAAERRGVYAVGYASDMQHFGPKTVLTSIVNDWGPHYIRSAQAVMDGTWKSEDFWGGLAESTVVLPLNQEVLPAPVREEAGRLIESIRSGAFHPFTGPIRDQSGKERFAAGVSATKADLASMNYYVEGIKADLPK |
3S99 Chain:A ((26-355)) | ---------------------------------KLKVGFIYIGPPGDFGWTYQHDQARKELVEAL-G-DKVETTFLENVAEGADAERSIKRIARAGNKLIFTTSFGYMDPTVKVAKKFPDVKFEHATGYKTADNMSAYNARFYEGRYVQGVIAAKMSKKGIAGYIGSVPVPEVVQGINSFMLGAQSVNPDFRVKVIWVNSWFDPGKEADAAKALIDQGVDIITQHTDSTAAIQVAHDRGIKAFGQASDMIKFAPDTQLTAVVDEWGPYYIDRAKAVLDGTWKSQNIWWGMKEGLVKMAPF-TNMPDDVKKLAEETEARIKSGELNPFTGPIKKQDGSEWLKAGEKADDQTLLGMNFYVAGVDDKLP- |
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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) -155954 for 2977 contacts (-52.4/contact) +
2D Compatibility (PS) -35783 + (NN) -12761 + (LL) 3552
1D Compatibility (HY) -28800 + (ID) 8850
Total energy: -238596.0 ( -80.15 by residue)
QMean score : 0.637
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