Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ---------------MAGSHPYL-NPPDS-TH-PSPPSAPPSLRWHQCC---QPSDATNGLLVALLGGGLPAGFVGPLSHMAYQASN-----LPSLELLI----------CRCLFHLPIALLLK---LRGDPLL-GP-PDIRGR-------AYFYALLNVLS------------IG-CAYSAVQVVPA-GNAATVRKGSSTVCSAVLTLCLES--QGL-SGYDWCGLLGSI--------LGLIIIVGPGLWTLQEGITGVYTALGY--GQAFVGG-------LALSL-GLLV-------YRSLHFPSCLPTVAFLSGLVGLLGSVPGLFVLQPPVLPSD-LPSWSCVGAVGILA--LVSFTCVSYAV-------------T-KAHPALVC---A-VLHSEVVVALILQ-YYMLHETVAPSDIVGAGVVLGSIAIITAWN-------------LSCEREG-KVEE------ |
4OWT Chain:A ((1-466)) | GGRLLLSTSLDAKDELEERLERCMSIVTSMTAGVSEREANDALNAYVCKGLPQHEEICLGLFTLILTE--PAQAQKCYRDLALVSRDGMNIVLNKINQILMEKYLKLQDTCRTQLVWLVRELVKSGVLGADGVCMTFMKQIAGGDVTAKNIWLAESVLDILTEQREWVLKSSILIAMAVYTYLRLIVDHHGTAQLQALRQKEVDFCISLLRERFMECLMIGRDLVRLLQNVARIPEFELLWKDIIHNPQALSPQ--FTGILQLLQSRTSRKFLACRLTPDMETKLLFMTSRVRFGQQKRYQDWFQRQYLSTPDSQSLRCDLIRYICGVVHPSNEVLSSDILPRWAIIGWLLTTCTSNVAASNAKLALFYDWLFFSPDKDSIMNIEPAILVMHHSMKPHPAITATLLDFMCRIIPNFYPPLEGHVRQGVFSSLNHIVEKRVLAHLAPLFDNPKLDKELRAMLREKFPEFCS |
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General information:
TITO was launched using:
| RESULT:
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Template: 4OWT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -141802 for 1999 contacts (-70.9/contact) +
2D Compatibility (PS) -31217 + (NN) 14003 + (LL) -64
1D Compatibility (HY) 4000 + (ID) 900
Total energy: -155980.0 ( -78.03 by residue)
QMean score : -0.118
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