Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNGF-MDKLSEKIMPLANLL-------------------GQNRY---------LTVLRDAFMLSF---PLTMFGSIVVVINNLPFFSDAT------KGTLSNLFGNGQNATMSIM----------------------------SVFVTFGIGYYLSKSYDVEGIFGGAVSF-------ASFLILTPFAMKTAGGEDVTGVLSLDRLGAKGMFIGMI---AAFLAGEIYCRITKRGWQIKMPDGV------PPAVTKPFAALIPAVVTLTIFLVINAVMTGIFNANLHDV-VYEVIQKPLTG---LGSSLPATLIALFFVQF-----LWFFGLHGQIIVNSVMDPIWNTLMLDNLEAYQHGKELPHIITKPFMETFTVGIGGSGMTLAVVLLMAFVLKKKQYRDVGRLALAPG-----IFNVNEPAIFGLP----IVLNATILIPWVVAPLIVTTFNYLVMAAGLVPAPTGVSVP------WTVPIIASGVLATNSWLGGMLQVID-----FVIVAFIWYPFLK----VLDKQPDLDIA------------------------------------------ 4BHW Chain:A ((14-576)) KKIFKPEELRQALMPTLEALYRQDPESLPFRQPVDPQLLGIPDYFDIVKSPMDLSTIKRKLDTGQYQEPWQYVDDIWLMFNNAWLYNRKTSRVYKYCSKLSEVFEQEIDPVMQSLGYCCGRKLEFSPQTLCCYGKQLCTIPRDATYYSYQNRYHFCEKCFNE-IQGESVSLGDDPSQPQTTINKEQFSKRKNDTLDPELFVECTECGRKMHQICVLHHEIIWPAGFVCDGCLKKSARTRKENKFSAKRLPSTRLGTFLENRVNDFLRRQNHPESGEVTVRVVHASDKTVEVKPGMKARFVDSGEMAESFPYRTKALFAFEEIDGVDLCFFGMHVQEYGSDCPPPNQRRVYISYLDSVHF---------------FRPKCLRTAVYHEILIGYLEYVKKLGYTTGHIWACPPSEGDDYIFHCH-PPDQKIPKPKRLQEWFKKMLDKAVSERIVHDYKDIFKQATEDRLTSAKELPYFEGDFWPNVLEESIKESGGSGSQKLYATMEKHKEVFFVIRLIAGPAANSLPPIVDPDPLIPCDLMDGRDAFLTLARDKHLEFSSLRRAQWSTMCMLVELHTQSQD

General information: TITO was launched using: RESULT: Template: 4BHW.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 : 1656 -46488 -28.07 -114.50 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -28.07 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.158

(partial model without unconserved sides chains): PDB file : Tito_4BHW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BHW-query.scw PDB file : Tito_Scwrl_4BHW.pdb: