Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLKNLQDVSYFKLNNEINRPVNGQIPLNKDKEALVAFFEENVKPNTMTFPSIMEKINYLIDQEYIEAEFIQLYSPSFIEKLYQFLDEQHFSFKSFMAAYKFYSQYALKTNDGSAY--LETYEDRVAFNALYFANGDEELALALADEMIHQRYQPATPSFLNAGRKRRGELVSCFLTQVTDDMNSIGRSINSALQLSRIGGGVGITLSNLREAGAPIKGYEGAASGVVPVMKLFEDSFSYSNQLGQRQGAGVVYLNVFHPDIIAFLSAKKENADEKIRVKTLSLGVIVPDKFYELTRKNEDMYLFSPYSV---EKEYGVPF----SYVNITAEYDHLVANPNIRKQKIKARDLENEISKLQQESGYPYVINIDTANRENPID--GKIIMSNLCSEILQVQTPSVINGKQEYEVLGTDISCNLGSTNIVN-----LMQSPNFGQSVRTMTRALTFITDASDIDVVPPIQNGNKLNHTIGLGAMGLHTYLAKEQMEYGSEDSLDFTNIYFMLLNYWTLVESNNIARERKQVFHNFEKSAYADGTYFEKYVTGEFQPKSEKVKALFEGIFIPTAEDWNALKQAVMKDGLYHQNRLAVAPNGSISYINDTSASIHPITR------------------MIEERQEKKIGK-------IYYPAPYLSNETIP-----YYTSAYDMDMRKVIDVYATAQQHVDQGMSLTLFMRSEIPEGIYEWKTTTKQTTRDLNILRHYAFHKGIKSIYYVRTFTDDAEEIGSNQCESCVI 5IM3 Chain:A ((280-912)) ------------------------------------------------------------------------------LEKLGKAIDHERDQQFTYLGLQTLYDRYFIH-KDGIRFELPQIFFMRVAMGLAIEEKDREARAIEFYNLLSSFDYMSSTPTLFNAG-TLRPQLSSCYLTTVPDDLSGIYGAIHDNAMLSKFAGGLGNDWTPVRALGSYIKGTNGKSQGVVPFLKVVNDTAVAVN-------AVCAYLETWHLDIEEFLELRKNTGDDRRRTHDMNTANWIPDLFMKRVFDDGSWTLFSPSDVPDLHDLYGKAFEERYEYYEALASYGKLKLH-----KVVQAKDLWRKMLSMLFETGHPWLTFKDPCNLRSPQQHVGVVHSSNLCTEI------TLNTNKDEIAV------CNLGSINLVNHIVDGKLDTAKLEKTVKTAVRMLDNVIDINYYS-VPQAQNSNFKHRPVGLGIMGFQDALYLQHIPYGSDAAIAFADQSMEAISYYAIQASCDLADERG-AYQTFQGSLWSQGIL---PIDSEKKLIEERGAKYIE-VDLSETLDWAPLRERVQK-GIRNSNIMAIAPTATIANITGVSQSIEPTYQNLYVKSNLSGEFTVINPYLVRDLKARGLWDPVMVNDLKYYDGSVQQIERIPQDLKDLYATAFEVETRWIVEAASRRQKWIDQAQSLNLYI--------------AGASGKKLDVTYRMAWFRGLKTTYYLRALAAT--------------

General information: TITO was launched using: RESULT: Template: 5IM3.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 : 3158 10677 3.38 18.41 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 3.38 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.387

(partial model without unconserved sides chains): PDB file : Tito_5IM3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5IM3-query.scw PDB file : Tito_Scwrl_5IM3.pdb: