Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTRLKFQVDKDLLLAIVVGVCGSLVALAMFFLSGYMVTQSALGAPLYALMILVVTVKLFGFLRAITRYVERLISHKATFTMLRDIRVQFFGKLVNVIPNVYRKLSSSDLISRMISRVEALQNIYLRVYYPPVVIGLTALVTVIVLAFISIGHALLIMVSMLFTLLIVPWLSSKKARTLKKHAANEQARFLNHFYDYKAGMDELRRFNQINHYRDNLMAKLNHFDKLQLKEQRFLTIYDFILNIIAMLSIFGSLVLGLIQINAGQLNIIYMTSIVLMILTLFEQAVPMTNVAYYKADTDQALHDINEVISVPSTNGKKRLNDKYDATNIYEVKDASFKYWNQQTYVLSDINFNVNRGEKIAIVGPSGSGKSTLLQIMAGLYQLDSGSVRFENMDMFEIDDKDKFESLNVLLQSQQLFDGTIRQNL-------FTDEKDEAVQA--IFKQLDLEHLALERQIDLDGHTLSGGEIQRLAITRMLLKDTASTWILDEPTTALDKQNSLKVM-DLIEAHA-ETLIVATHDLTLLSRFETIIVMINGKIVEKGNYQQLLANQGALWNMIQYNA |
3NHB Chain:A ((55-287)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EFENVHFSYAD-RE-TLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLFNDTIADNIRYGRVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILK-APGIILLDEATSALDTSNERAIQASLAKVCANRTTIVVAHRLSTVVNADQILVIKDGCIVERGRHEALLSRGGVYADMWQ--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NHB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -123053 for 1713 contacts (-71.8/contact) +
2D Compatibility (PS) -23502 + (NN) -4098 + (LL) 31132
1D Compatibility (HY) -14000 + (ID) 3900
Total energy: -137421.0 ( -80.22 by residue)
QMean score : 0.493
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