Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMQILKQIQVPYSFAKRHGVLFRYDGDQVFIVRRQNTEKIALQEARRILGKPAHYQLCTEQEFNSLLSTSYAGDTGESQQVAAGLEDHPDLLSLADQVPETEDLMDQEDDAPIVRLINALLSEAIRVGASDIHIEAFEKKLSVRLRVDGQLREIVQPRRELAPLLVSRIKVMAKLDIAEKRVPQDGRISLRLA-GREVDVRVSTLPSSHGERVVMRLLDKQAGRLNMTHLGLMANDYERLTQLVHRPHGIILVTGPTGSGKTTTLYAALSDLNDNTRNILTAEDPIEYQLEGIGQTQVNTKVDMTFARALKAMLRQDPDVVMVGEIRDLETAEIAVQASLTGHLVLSTLHTNTAIGAVTRLKDMGIEPFLLSSSLIGVVAQRLVRTLCPHCMTWREADTFEKQVFQHISH-EPSLKLPEAQGCDQCSHLGFNGRTAIYEIVPIDEPMRRLIHGNAAEFELENHARQYSG--SIRDDGLRKVLSGKTTLEEVLRVTNEASEA 5TSH Chain:E ((202-588)) ---------------------------------------------------------------------------------------------------------------PVVKLVNLILTDAIKRKASDIHIEPYERSFRVRYRIDGVLYEVMKPPLKLKNAITSRIKIMAELDIAERRLPQDGRIKIKLGGGQDMDYRVSVLPTLFGEKVVLRLLDKSNLQLDMTKLGYEPDALHYFKEAIHKPFGMVLVTGPTGSGKTVSLYSALGELNKTTENISTAEDPVEFNFAGINQVQMHEDIGLNFAAALRSFLRQDPDIIMIGEIRDFETAEIAIKAALTGHLVLSTLHTNDAPATINRLLNMGVEPFLVASAVNLITAQRLARRVCSECKQPEEIPIQALIDAGVSPDEGPSYVCYKGTGCVKCNNTGYKGRVGFYQVMPMLEEIRELILNGANTAEIKRESM-RLGIKTMRQSGLTKLKEGVTSFEEVLRVTVADD--

General information: TITO was launched using: RESULT: Template: 5TSH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 2002 -22733 -11.35 -59.35 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain E : 0.78 3D Compatibility (PKB) : -11.35 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_5TSH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5TSH-query.scw PDB file : Tito_Scwrl_5TSH.pdb: