Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMNLSKVCKGVRQLKKYGPFLAIFF---IALAFLMPHLFTHKLILGADAPFHYNRFYDAAQQIKYGDFHYFPSLYGFQQSGRIVNAVYGPFFAYLQGLIVLLAGSWFHYQILSNFILYLISGFSMLILLRYVNVRNWVSVPVAVLFMSTYSIQYWSINQGFTSWGTCFYPLCMIPIADFVLHKKFPVIKVA-VSVGLMTQIHLLSSIMLALMYIPFYLYYFFNQTEKGKALLQLIKSVL--------LYFVLTANIWA--GLAIVYSGNKILPPFVNREMSQKAIDLDGSYWLHYPKAFPILILSGF---------LLFIFFQQKNTLFQKIVLYTSLVFFFLSTSLIPWT-----TLIEKNVPFISLIQFPFRFFVPFTLLLLLYLA--LSLNQWSE-QKWFRLLSIFGILIFSAQTIQNLYQHLEKWENETFVSRHTYLFDTPEEARKTFFSK---DMSTSLFVFQKTTPDYLPIYKETKDNKYDRYNEEILENETTFIKTHPGGLLTIKWKNTGDKTVHIPVIVYDRTVLQQNGKTLTDYEVTDIG-TPIVKQQKGINELTLHYQTPIYFYFILSLTLIGWFTLLCLFIYHRYKLLRA 4WBD Chain:A ((2-541)) HMQLTEL-----SIKNQNVFVQHYIDGKEEMSSFFDYSIHHKDMWRERLEDLSSRFFAREELAAY--LTSYHNKFGSSAMQSAIEKLKDP------SSAAVVGGQ--QAGLLTGPLYTIHKIISIIVLAKQQEKELQVPV-IPIFWVAGEDHDLDEINFVHTSEENG-------PVKKKLPQSYWKKSSAASTSLDQEKCAAWIDDVFAA-----------FEETDHTNTLLDNVKRCLRESVTFTDFFELLIADLFQEEGLVLLNSGDPGIKKL-ETAMFQKILRENDELARAVSDQQAFMRQAGYKPIIESGKEQANLFYEYED---ERFLIEKDNGRFVIKELDLGWTRDELHTHMEEHPERFSNNVVTRPLMQEFLIPTLAFIAGPGEINYWGELKQAFAVMGFKMPPVMPRLNITILERHIEKKLAERNISLQDAIERGTENQRETYFERQIPEEFTAVMDQAKSQIEAIHKTVRQEALKVDQSLEPLLLKNAAFIQDQLQFLERTVMKRIEEK----------------EGYVLKDYERIQNSIKPLLAPQERI-------WNIMYYLNRYGPKFFTTFKNLPFSFQNQHQVVKL

General information: TITO was launched using: RESULT: Template: 4WBD.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 : 2289 -82182 -35.90 -162.74 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -35.90 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.159

(partial model without unconserved sides chains): PDB file : Tito_4WBD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WBD-query.scw PDB file : Tito_Scwrl_4WBD.pdb: