Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQAFDELLTVEQLSFSYEED-----EKPVFQDISFEL-QKGECVLLLGPSGCGKSSLALCLNGLYPEACDGIQSGHVF--LF-------QKPVTDAET-SETITQHAGVVFQDPDQQFCMLTVEDEIAFGLENLQIPKEEMTEKINAVLEKLRITHLKEKMISTLSGGQKQKVALACILAMEPELIILDEPTSLLDPFSAREFVHLMKDLQREKGFSLLVIEHQLDEWAPWIERTIVLDKSGKKALDGLTKNLFQHEAETLK-KLGIAIPKV-CHLQEKLSMPFTLSKEMLFKEPIPAGHVKKKKAPSGESVLEVSSLSFARGQQAIFKDISFSLREGSLTALVGPNGTGKSTLLSVLASLMKPQSGKILLYDQPLQKYKEKELRKRMGFVFQNPEHQFVTDTVYDELLFGQKANAETEKKAQHLLQRFGLAHLADHHPFAISQGQKRRLSVATMLMHDVKVLLLDEPTFGQDARTAAECMEMIQRIKAE-GTAVLMITHDMELVSSYADSVLVLHDTGLAFDGSPAQLFSQETGLVQKAKLTLPLLYEWMAFQEEVRDEATVTSH 3BK7 Chain:A ((82-547)) -----NAISIVNLPEQLDEDCVHRYGVNAFVLYRLPIVKDGMVVGIVGPNGTGKTTAVKILAGQLIPN-----LCEDNDSWDNVIRAFRGNELQNYFERLKNGEIRPVVKPQYVD--LLPKAVKGKVRELL-----KKVDEVGKFEEVVKELELENVLDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLAN-EGKAVLVVEHDLAVLDYLSDVIHVV-YGEPGV-YGIFSKPKGTRN-GINEFLQGYLKDENVRFRPY---------------EIRFTKLSERVDVERETLVEYPRLVKDYG-SFKLEVEPGEIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKVEWDL-------------TVAYKPQYIKA-EYEGTVYELLSKIDSSKLNSNFYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEG-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3BK7.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 : 2267 -242010 -106.75 -541.41 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -106.75 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_3BK7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BK7-query.scw PDB file : Tito_Scwrl_3BK7.pdb: