Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQAFDELLTVEQLSFSYEEDEKPVFQDISFELQKGECVLLLGPSGCGKSSLALCLNGLYPEACDGIQSGHVFLFQKP-------VTDAETSETITQHA--GVVFQDPDQQFCMLTVEDEIAFGLENLQIPKEEMTEKINAVLEKLRITHLKEKMISTLSGGQKQKVALACILAMEPELIILDEPTSLLDPFSAREFVHLMKDLQREKGFSLLVIEHQLDEWAPWIERTIVLDKSGKKALDGLTKNLFQHEAETLK-KLGIAIPKV-CHLQEKLSMPFTLSKEMLFKEPIPAGHVKKKKAPSGESVLEVSSLSFARGQQAIFKDISFSLREGSLTALVGPNGTGKSTLLSVLASLMKPQSGKILLYDQPLQKYKEKELRKRMGFVFQNPEHQFVTDTVYDELLFGQKANAETEKKAQHLLQRFGLAHLADHHPFAISQGQKRRLSVATMLMHDVKVLLLDEPTFGQDARTAAECMEMIQRIKAE-GTAVLMITHDMELVSSYADSVLVLHDTGLAFDGSPAQLFSQETGLVQKAKLTLPLLYEWMAFQEEVRDEATVTSH 1YQT Chain:A ((25-479)) ----------EDCVHRYGV-NAFVLYRLP-VVKEGMVVGIVGPNGTGKSTAVKILAGQLIPNLC---GDNDSWDGVIRAFRGNELQN-YFEKLKNGEIRPVVKPQYVD--LIPKAVKGKVIEL-----LKKADETGKLEEVVKALELENVLEREIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSE-EGKSVLVVEHDLAVLDYLSDIIHVV-YG-EPGVYGIFSQPKGTRN-GINEFLRGYLKDENVRFR-----P----------YEIKFTKTGERVEIERETLVTYPRLVKDYG-SFRLEVEPGEIKKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEWDL-------------TVAYKPQYIKA-DYEGTVYELLSKIDASKLNSNFYKTELLKPLGIIDLYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLMVFEGEP-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 1YQT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2390 -253231 -105.95 -571.63 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -105.95 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.415

(partial model without unconserved sides chains): PDB file : Tito_1YQT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQT-query.scw PDB file : Tito_Scwrl_1YQT.pdb: