Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIYGIYMDRPLSQEENERFMSFISPEKREKCRRFYHKEDAHRTLLGDVLVRSVISRQYQ------------LDKSDIRFSTQEYGKPCIPDL---------PDAHFNISHSGRWVICAFDSQPIGIDIEKTKPISLEIAKRFFSKTEYSDLLAKDKDEQTDYFYHLWSMKESFIKQEGKGLSLPLDSFSVRLHQDGQVSIELPDSHSPCYIKTYEVDPGYKMAVCAAHPDFPEDITMVSYEELL 3GWM Chain:A ((25-124)) ------------------VFAETFTPGERRDAADK--SSSAARHLAARWAAKEAVIKAWSSSRFSKRPALPEGIHRDIEVVTDMWGRPKVRLSGEIAKHLEDVTIHVSLTHEDQTAAAVA-----------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GWM.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 : 278 -33177 -119.34 -419.96 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -119.34 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_3GWM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GWM-query.scw PDB file : Tito_Scwrl_3GWM.pdb: