Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWANQNPVFVYEKEPSRDILCIDCKSFYASVECVEKDLDPLTTKLVVMSYPSDSTETRGSGLILASSPAAKKAYGITNISRARDLPFPYPSDLYIVA-------PRMAYYMEKNREINSIYKKYADEANHHVYSVDESFLDVTNSMAL-----FG--------------K---------------------------------------TNAYDMAKLIHKDVFEQTGIYTTIGIGDNPLLAKLALDNGSKDGKQMFAEWRYEDVPEKLWKISDITDFWGIGKRTAKR-LKQMGIHSVYDLAHADYYHLKSKLGV-IGTQLYAHAWGIDRSFLGQEYTPKSKSIGNSQILDRD--YTRREEIEIVIKEMADQVGTRLRRS----AAKTQVVSLWVGYSLGYLDPNGKTGFHQQMKIEATNASRDLADALLTIFHQH-------YHYQDIRRVGVNCSDLVYATGLQLNLFEDPEKQINEAKVDFVVDTIRKKYGFQSIIHAHSLLQGGRAIARSSLVGGHAGGMSGLEGGKDETDSKKIH 4ED6 Chain:A ((6-434)) ------------TGQDRVVALVDMDCFFVQVEQRQN-PHLRNKPCAVVQYKSW----KG-GGIIAVSYEARA-FGVTRSMWADDAKKLCP-DLLLAQVRESRGKANLTKYREASVEVMEIMSRFA---VIERASIDEAYVDLTSAVQERLQKLQGQPISADLLPSTYIEGLPQGPEETVQKEGMRKQGLFQWLDSLQIDNLTSPDLQLTV-GAVIVEEMRAAIERETGFQCSAGISHNKVLAKLACGLNKP---NRQTLVSHGSVPQLFSQ-MPIRKIRSLGGKLGASVIEILGIEYMGELTQFTESQLQSHFGEKNGSWLYAMCRGIEHDPVKPR--QLPKTIGCSKNFPGKTALATREQVQWWLLQLAQELEERLTKDRNDNDRVATQLVVSIRVQGDKRL----SSLRRCCALT-RYDAHKMSHDAFTVIKNCNTSGIQTEWSPPLTMLFLCATKFSA-------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ED6.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 : 1686 -43887 -26.03 -126.84 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -26.03 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_4ED6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ED6-query.scw PDB file : Tito_Scwrl_4ED6.pdb: