Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRLIQVMIMFTLLLTMAFSADAADSSYYDEDY-RPQYHFTPEANWMNDPNGMVY--YAGEYHLFYQYHPYGLQWG-PMHWGHAVSKDLVTWEHLPVALYPDEKGT-IFSGSAVVDKNNTSGFQTGKEKP---LVAIYTQDREGHQVQSIAYSNDKGRTWTKYAGNPVIPNPGKKDFRDPKVFWYEKEKKWVMVLAAGD--RILIYTSKNLKQWTYASEFGQDQGSHGGVWECPDLFELPVDGNPNQKKWVMQVSVGNGAVSGGSGMQYFVGDFDGTHFKNENPPNKVLWTDYGRDFYAAVSWSDIPSTDSRRLWLGWMSNWQYANDVPTSPWRSATSIPRELKLK-----AFTEGVRVVQTPV--KELETIRGTSKKWKNLTISPASHNVLAGQSGDAYEINAEFK-----VSPGSAAEFGFKVRTGENQFT----KVGYDRRNAKLFVDRSESGNDTFNPAFNTGKETAPLKPVNGKVKLRIF-----VDRSSVEVFGNDGKQVITDIILPDRSSKGLELYAANGGVKVKSLTIHPLKKVWGTTPFMSNMTGWTTVNGTWADTIEGKQGRSDGDSFILSSASGSDFTYESDITIKDGNGRGAGALMFRSDKDAKNGYLANVDAKHDLVKFFKFENGAASVIAEYKTPIDVNKKYHLKTEAEGDRFKIYLDDRLVIDAHDSVFSEGQFGLNVWDATAVFQNVTKES 3U14 Chain:B ((27-499)) --------------------------LSVDTSEYNRPLIHFTPEKGWMNAPNGLFYDKTAKLWHLYFQYNPNATAWGQPLYWGHATSNDLVHWDEHEIAIGPEHDNEGIFSGSIVVDHNNTSGFFNSSIDPNQRIVAIYTNNIPDNQTQDIAFSLDGGYTFTKYENNPVI-DVSSNQFRDPKVFWHEDSNQWIMVVSKSQEYKIQIFGSANLKNWVLNSNFSS--GYYGNQYECPGLIEVPIE-NSDKSKWVMFLAINPGSPLGGSINQYFVGDFDGFQFVPDD--SQTRFVDIGKDFYAFQTFSEV---EHGVLGLAWASNWQYADQVPTNPWRSSTSLARNYTLRYVHTNAETKQLTLIQNPVLPDSINVVDKLKKKNVKLTNKKPIKTNFKGSTG-LFDFNITFKVLNLNVSPGK-THFDILINSQELNSSVDSIKIGFDSSQSSFYIDRHIPNVEFPRKQFFTDKLAAYLEPLDYDQDLRVFSLYGIVDKNIIELYFNDGTVAMTN------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3U14.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2407 143697 59.70 325.11 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : 59.70 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_3U14.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3U14-query.scw PDB file : Tito_Scwrl_3U14.pdb: