Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLRLDRLHYCILMSMGCISSPLVWAEDLNSDVAKLPTLHVEATRTDTGYLQTPASVFRIEAPQVDSSSQVNLTEVVKGIPSLQIRNRENYAQDLQLSMRGFGARSTFGVRGIRLYVDGIPATMPDGQGQTSNIDLSSLDHVEVLTGPFSSLYG-NSSGGTILTSTKEGQGKD------SIELSYSGGSHDK-SRAGLVLQGGAKGANEPSYIISSSYFDTD------GYREHSGAEKVLNNAKLSWNLDDGSKINWVTNYVKINADDPGGLTRADWQNNPKQVVQNVLDYNARKEIEQTQTGLTWSKPI--NDQHELYAMTYMGQRQVTQYQSIPDTVQKNPNTPYQAGGVIDFKRNYYGADFRWTGKE--LLPN-TTLSIGVALDAMKEDRQGYQNFNDTGDKGVKGALRRDEDNTLWNIDPYVQASWQFLP-TWRLDTGVRYSNVHYKSKDYYIVGLNGDNSGKTSYEEVLPSVALSWQITPEVLAYASYAKGFETPTFTEMAYPAQ----------GGASTLDLKPSTSDTYETGLKSQ-N------QLGDFTLAVFQTKTKNDIVSAESFG-GRSTFRNADKTLREGVEFAWNKKLWRDLIAIASYTYLDATFDSTVPAAGKISEIPEGNAIPGIAKNQAYVSLAWQPS-HGLYGGVDVQYMDKVYVNDTNSDAAPSYSVTSANVGYAWVMGDWKVNSFARVDNLFDRNYAGSVIVNDSTQPVGRYFEPADGRNWSAGLRVIKQF 3FHH Chain:A ((2-640)) -------------------------------------ETMTVTATGNARSSFEAPMMVSVIDTSAPENQTATSATDLLRHVPGITLDGTGR-TNGQDINMRGYDHR------GVLVLVDGIRQGTDTGHLNGTFLDPALIKRVEIVRGPSALLYGSGALGGVISYDTVDAKDLLQEGQSSGFRVFGTGGTGDHSLGLGASAFGR---TENLDGIVAWSSRDRGDLRQSNGETAPNDESINNMLAKGTWQIDSAQSLSGLVRYYNNDAREPKNPQT--VEASE-SSNP-----MVDRSTIQRDAQLSYKLAPQGNDWLNADAKIYWSEVRINAQ------------------EYR--EQITKGARLENRSTLFADSFASHLLTYGGEYYRQEQGSH----------------TTGFPQAKIDFSSGWLQDEITLRDLPITLLGGTRYDSYRGSSDG----------YKDVDADKWSSRAGMTINPTNWLMLFGSYAQAFRAPTMGEMYNDSKHFSIGRFYTNYWVPNPNLRPETNETQEYGFGLRFDDLMLSNDALEFKASYFDTKAKDYISTTVDFAAATTMSYNVPNAKIWGWDVMTKYTT-DLFSLDVAYNRTRGKDTD------------TGEYISSINPDTVTSTLNIPIAHSGFSVGWVGTFADRSTHISS---KQPGYGVNDFYVSYQGQQALKGMTTTLVLGNAFDKEYWSP------------QGIPQDGRNGKIFVSYQW--

General information: TITO was launched using: RESULT: Template: 3FHH.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 : 3588 134489 37.48 231.48 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 37.48 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.177

(partial model without unconserved sides chains): PDB file : Tito_3FHH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FHH-query.scw PDB file : Tito_Scwrl_3FHH.pdb: