Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGVKTKLFYEDIKPFFDI----KSLQETKNGESHTVYILDN---DYILKIYEEEN---LFNI-DAEIELLNYTKK--LCVPKVIKDDI-----FIKGKRGLVFSKAKGESVVEF-VKSTHLEQIGQFLNSFHKMTKNKKHDNLSA----F--GKSQLKVMIEKTCN----------KAFKDEFD-------CLK-I--ELKNDGIIHGDLFLDNATFCG--DKLTCVFDFSDACEGDFIFDLAVVALSWCS--------------NKEEINILLKAYDK--EIKLDDFIIYLRYASLYYCVKRHLTNRDYDNIIFKNKFIDLI 4OCV Chain:A ((31-304)) -----------VASHFALEGTVDSIEPYGDGHINTTYLVTTDGPRYILQRMNTGIFPDTVNLMRNVELVTSTLKAQGKETLDIVRTTSGDTWAEIDGGAWRVYKFIEHTMSYNLVPNPDVFREAGRAFGDFQNFLSGFDANQLTETIAHFHDTPHRFEDFKKALAADELGRAAGCGPEIEFYLSHADQYAVVMDGLRDGSIPLRVTHNDTKLNNILMDATTGKARAIIDLDTIMPGSMLFDFGDSIRFGASTALEDERDLDKVHFSTELFRAYTEGFVGELRDSI--------------------------------------

General information: TITO was launched using: RESULT: Template: 4OCV.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 : 665 8159 12.27 38.67 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 12.27 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_4OCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ocv-query.scw PDB file : Tito_Scwrl_4OCV.pdb: