Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MDKSSKFFFEDQKYNKERIVRVLGGNLALLK-SKGILYEDSSGDLIFNYVGVISNGRNVIFILPKYCNRHLDEHSKRTLFNKLL-KI-FKKYSGLNKSRESDYFVSELDSDEVSDFMIADYLLNDFSLNGYYQKKFTEYEIDGEGIIDWSKTVNEITPV-FSKGVPY--------YFSTYNEVVQKDEYHLIVKIHKWALSKY-F-NDFGVILGFTGLEFDKSCDGMKILDY-ADFFGSVINK-EIVNTYVDRDV-KLLKALKTAIDREENQFSKRP-TLSLYGTKYFHRVWEEVCKTVFSHVNEYVKKISRPN-WI-------------------NFTDIEVNKEKKTLEPDII-----KAFEYRSKEYFLILD----AKYYNINFDGKKL--------EGNPGVEDITKQLLYDKALEKLSRGKTKHNAFLFPSSNSTNTFKVFGSVDFDFLDIAAVTLVYI-SAEQVYNLYLENKTFSTDDLFKFVSEINKSKKRHSVITSTLYGNMFLFTKRLSDKN-------------- 4JW1 Chain:A ((18-625)) VRFAGFYKDNDGGKFFIKKPGDPRELFTELFAGLLLKEFMKRGLIDESYFPSLICADVIQFEDK-SYGLIQPLVSFDELHKVIGQNKYFGLSMALMFSLLLGAHSVHSGNIVVLNGEEKEKSK----QFGRIDWGDRYFAHPNNNDNLYAKDYFLNYKK-INGLFPAMAEKARQLQSKLNPELLVKIVTSALKNIPADLIDEKTKIQLAAYMCMDSFKEA------TFGTEGNCKDFAIAMATLLENRLGKIAVLKLKPLTLLMTSSTSFSETINQWADILKTTDMEKFSFDSNPIN--LLELVKQFNLYVDELAITCEANNVWLFALYDNSGGEAIHGHAFVPYYKESIVLRRLFTVDPNTFNLSRFAAFEGPCQLYCKEHKDSAWVKIQTLLTLGNGIINTLKIIKQAQAFGIDEAVTENLKALKEQFIAFQLAEADIKEPNKESEF----FYPIDEKALAK--------MNGYQLATICLEE--LNSPKPSPLIERILSNKKFWKRINSAFESGVFKGRTDDPAGKIAKIREWHQLLQIS

General information: TITO was launched using: RESULT: Template: 4JW1.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 : 1721 -127806 -74.26 -292.46 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -74.26 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.169

(partial model without unconserved sides chains): PDB file : Tito_4JW1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JW1-query.scw PDB file : Tito_Scwrl_4JW1.pdb: