Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQRVIVGMSGGVDSSVSAALLLQQGYQVEGLFMKNWEEDDGTEYCTAMEDLADAQAVADKIGIKLHTANFAMEYWDRVFEHFLAEYAAGRTPNPDILCNKEIKFRAFLDHAMTLGADFIATGHYARRAETAYNSKGEAYAPLLRGLDNN-KDQTYFLHAVHGREINKTLFPVGEIEKPEVRRIAEELDLATAKKK--DSTGICFIGERRFNDFLKQYLPAQPGKIVLDNGKEVGEHHGLMYYTLGQRGGIGLGGMKGASEGAWFVLHKDVTNNRLVVGQGHDHPLMQSTQLWSESIDWVAGEQNIPAEGLRCTAKTRYRQPDQACTVFIDENSEHGVRVEFDEPQRAVTPGQSVVFYSDEVCLGGGVIHHTNAPTPNFI 3VRH Chain:A ((47-256)) -DERILVAVSGGKDSAVTAYVLKKLGYNIECLHINLGISG------YSEKSEEYAKKQCKLIGAPLHIVRIKEILGY-GIG----EVK--TRRPPCSYCGL-TKRYIMNKFAYDNGFDAIATGHNLDDEAS------FLLNNILHWNTEYLAKGGPIL-PQ-QGKFIKKVKPLYEVTEREVVAYALAVGLEYIVEECPY-------TTLDMKGVLNELEEKRPGTKFNF-------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VRH.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 : 908 -55563 -61.19 -283.48 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -61.19 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_3VRH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VRH-query.scw PDB file : Tito_Scwrl_3VRH.pdb: