Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWEQLYDPFGNEYVSALVALTPILFFLLALTVLKMKGILAAFLTLAVSFFVSVWAFHMPVEKAISSVLLGIGSGLWPIGYIVLMAVWLYKIAVKTGKFTIIRSSIAGISPDQRLQLLLIGFCFNAFLEGAAGFGVPIAISAALLVELGFKPLKAAAL--CLIANAASGAFGAIGIPVITGAQIGDLSA-----LELSRTLMWTLPMISFLIPFLLVFLLDRMKGIKQTWPALLVVSGGYTAVQTLTMAVLGPELA--NILAALFSMGGLALFLRKWQPKEIYREEGAGDAGEKK-------AYRAADIAKAWSPFYILTAAITIWSLPAFK-----ALFQ---EGGLLYQSTLLFKMPFLHQQIMKMPPIAPSAMPLDAV-FKVDLLSATGTAILAAVIVT----GLFSKKFSSRDAFASLKETGKELWVPIMTICFVMGFANLANFAGL-SSSIGLALAKTGDLFPF-VSPVLG-----WIGVFITGSVVSNNALFGHLQVVTGAQIGAGSDLLLAANTAGGVMA----KLVSPQSIAIA-AAAVGQTGKESKLFKRTVAYSLILLLIICIWTFILARLGV- 4C3X Chain:A ((23-530)) DWT--------SECDVLVVGSG-------------GGALTGAYTAAA--------------QGLTTIVLEKTDRFGGTSAYSGASIWLPGTQVQE------RAGLPD--STENARTYLRALLGDAESERQDAYVETAPAVVALLEQNPNIEFEFRAFPDYYKAEGRMDTGRSINPLDLDPADIGDLAGKVRPELDQDRTGQDHAPGPMIGGRALIGRLLAAVQS---TGKAELRTESVLTSLIVEDGRVVGAEVESGGETQRIKANRGVLMAAGGIEGNAEMREQA-GTPGKAIWSMGPFGANTGDAISAGIAVGGATALLDQAWFCPGVEQPDGSAAFMVGVRGGLVVDSA---GERYLNE-----------SLPYDQFGRAMDAHDDNGSAVPSFMIFDSREGGGLPAICIPNTAPAKHLEAG--TWVGADT------LEELAAKTGLPADALRSTVEKFNDAAKLGVDEEFHRGEDPYDAFFCPPNGGANAAL----TAIENGPFYAARIVLSDLGTKGGLVTDVNGRVLRADGSAIDGLYAAGNT--SASLSGRFYPGPGVPLGTAMVFSYRAAQDMAK

General information: TITO was launched using: RESULT: Template: 4C3X.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 : 2958 -345628 -116.85 -741.69 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -116.85 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.157

(partial model without unconserved sides chains): PDB file : Tito_4C3X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C3X-query.scw PDB file : Tito_Scwrl_4C3X.pdb: