Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLVEKLRRKIMQSKTLFLLGLCTIFSTTVSALPLDSKGAKQRLSQAAKQKVFQGKIDLDALVSNDSNDLIVEYNIPSSSVSSGLERRSYIATNKKNLQTRFSRAGGVQVLRDYNNLPLAFYRISNREALIALLNDPNVKAVYPNRINRTT--TTESLPLINQPQANTNGFTGEGSSVAVLDTGVNYLHSDFGCTAVNTPSSTCRVVYSFDSAPDDGTLDDDGHGSNVSAIVSK-----------VATKTKIIGIDVFRKVRSQGKWVSTAYDSDILAGINWAVNNAQTYNIKAVNLSLGVPGVKYTSECSDSSYGTAFANARAAGVVPVVASGNDAFPDG-ISSPACVAGAVRVGAVYDSNIGGVSWGNPVKCSDPTTAAD---KVACFSNGGSLVTLLAPGA----MITAGGYTMGGTSQATPHVAGAIALLRANSVSPTESIDQTISRLKATGKPITDSRTGLVFP---RIDLLAATNGLTVN---------------------------------------------------------------------------------------------------- 3AFG Chain:A ((4-522)) -------KPAVRNVSQ--------------------QKNYGLLTPGLFKKVQRMS-------WDQEVSTIIMFD----------------NQADKEKAVEILDFLGAKIKYNYHIIPALAVKIK-VKDLLIIAGLMDTGNAQLSGVQFIQEDYVVKVAQVMATNMWNLGYDGSGITIGIIDTGIDASHPDLQGKVIGWVDFV---------NGKTTPYDDNGHGTHVASIAAGTGAASNGKYKGMAPGAKLVGIKVLNGQ-------GSGSISDIINGVDWAVQNKDKYGIKVINLSLGSS----QSSDGTDSLSQAVNNAWDAGLVVVVAAGNSGPNKYTVGSPAAASKVITVGAVDKY-------DVITDFSSRGPTADNRLKPEVVAPGNWIIAARASGTSMGQPINDYYTAAPGTAMATPHVAGIAALLLQAH--PSWTPDKVKTALIETADIVKPDEIADIAYGAGRVNAYKAAYYDNYAKLTFTGYVSNKGSQSHQFTISGAGFVTATLYWDNSGSDLDLYLYDPNGNQVDYSYTAYYGFEKVGYYNPTAGTWTIKVVSYSGSANYQVDVVSDGSLGQP

General information: TITO was launched using: RESULT: Template: 3AFG.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 : 2564 -5905 -2.30 -15.50 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -2.30 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.401

(partial model without unconserved sides chains): PDB file : Tito_3AFG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AFG-query.scw PDB file : Tito_Scwrl_3AFG.pdb: