Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MLVYIGNGHYCYSNSTAMFLSSIGENVSPQLVEILTG---VGLGAMIE----YEKNLYFSMRDPDDGINYALNILGFTAEEHQQASDLDDPFPL---LKQQIK----QNPVILGPLDMGELTYHPNHKNLN--GSDHYVLGYQMDNENIYVQDPAGFPFVPLSLDQFKKAWMAERIPYRKGINKYWSTAKKVVTLDNNEIYERAIDYFKRTYRKFEKVDIGLIGREAICFYADQLLNAPITADTIRHTTFFLFQLSARRANDYAMYFKDRHSHLSVLKTEQAKVFG------ICHSMSVNKDWKGISEKLMKLADLEDNFRLELLKV--------GY 3P4G Chain:A ((23-323)) HSFDHYIGSAFDASNNNVAVT-----GNVSATLN-VLAGDDKVSIDGNVEDVLVAANVAVLDMGTGNDQLYVAGDVLGKID-----AGTGNDEIYIKGDVSAAVDAGTGNDEVYIGGNLSGDLDAGTDNDNIQIGGDVNAALNAGTGNDNLIIGHDVS-GIVNMGTDN-------DTVEVGRTIN-----ASGKVLLDTGD------DSLLVSGDLFGEVDGGT-GNDTIII------AGKVSGNIQGGTGNDIVRVQSQVWAEANISLGTGDDVLIVEHELHGTVAGNEGDDSIYLKFYTKEQYNNNSDLRNRVANFE-HIRVSDGVVKGSPADFADY

General information: TITO was launched using: RESULT: Template: 3P4G.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 : 1890 62429 33.03 232.08 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 33.03 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.175

(partial model without unconserved sides chains): PDB file : Tito_3P4G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3P4G-query.scw PDB file : Tito_Scwrl_3P4G.pdb: