Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLRLDRLHYCILMSMGCISSPLVWAEDLNSDVAKLPTLH-VEATRTDTGYLQTPASVFRIEAPQVDS-SSQVNLTEVVKGIPSLQIRNRENYAQD---LQLSMRGFGARSTFGVRGIRLYVDGIPATMPDGQGQTSN-----IDLSSLDHVEVLTGPFSSLYGNSS-GGTILTSTKEGQGKDSIELSYSGGSHDKS----RAGLVLQGGAKGANEPSYIISSSYFDTDGYREHSGAEKVLNNAKLSWNLDDGSKINWVTNYVKINADDPGGLTRAD------WQNNPKQVVQNVLDYNARKEIEQTQTGLTWSKPINDQHELYAMTYMGQRQVTQYQSIP-----------------DTVQKNPNTPYQAGGVIDFKRNYYGADFRWTGKELLPNTTLSIGVALDAMKEDRQGYQN------------FNDTGDKGVKGALRRDEDNTLWNIDPYVQASWQFLPTWRLDTGVRYSNVHYKSKDYYIVGLNGDNSGKTSYEEVLPSVALSWQITPEVLAYASYAKGFETPTFTEM---AYPAQGGASTL-DLKPSTSDTYETGLKSQNQLG--DFTLAVFQTKTKNDIVSAESFGGRS---TFRNADKTLREGVEFAWNKKLWRDLIAIASYTYLDATFDSTVPAAGKISEIPEGNAIPGIAKNQAYVSLAWQPSHGLYGGVDVQYMDKVY-------VNDTNSDAAPSYSVTSANVGYAWV-MGDWKVNSFARVDNLFDRNYAGSVIVNDSTQPVGRYFEPADGRNWSAGLRVIKQF 1BY5 Chain:A ((18-714)) --------------------------QESAWGPAATIAARQSATGTKTDTPIQKVPQSISVVTAEEMALHQP-KSVKEALSYTPGVSV---GTRGASNTYDHLIIRGFAAEGQS----QNNYLNGLKLQGNF-------YNDAVIDPYMLERAEIMRGPVSVLYGKSSPGGLLNMVSKRPTTEPLKEVQFKAGT----DSLFQTGFDFSDSLDDDGVYSYRLTGLARSANAQQKGSEEQRYAIAPAFTWRPDDKTNFTFLSYFQNEPETGYYGWLPKEGTVEPLPNGKRLPTDFNEGAKNNTYSRNEKMVGYSFDHEFNDTFTVRQNLRFAENKTSQNSVYGYGVCSDPANAYSKQCAALAPADKGHYLARKYVVDDEKLQNFSVDTQLQSKFATGDIDHTLLTGVDFMRMRNDINAWFGYDDSVPLLNLYNPVNTDFDFNAKDPANSGPYRILNKQKQTGVYVQDQAQWDKVLVTLGGRYDWADQESLNRVAGTTDKRDDKQFTWRGGVNYLFDNGVTPYFSYSESFEPSS--QVGKD-------G---NIFAPSKGKQYEVGVKYVPEDRPIVVTGAVYNLTKTNNLMADPE-----GSFFSVEGGEIRARGVEIEAKRPLSASVNVVGSYTYTDAEYTT--------DTTYKGNTPAQVPKHMASLWADYTFFDGPLSGLTLGTGGRYTGSSYGDP---ANSFKVGSYTVVDALVRYDLARVGMAGSNVALHVNNLFDREY-VASCFNT------YGCFWG--AERQVVATATFRF

General information: TITO was launched using: RESULT: Template: 1BY5.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 : 3944 191270 48.50 303.60 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 48.50 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.142

(partial model without unconserved sides chains): PDB file : Tito_1BY5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BY5-query.scw PDB file : Tito_Scwrl_1BY5.pdb: