Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKVKRNAPCPCGSGKKYKKCCGSKVVDFPAELAAKEAKQIQEDLVEYAFTVHRESISGFINQHDFLSAMDRQTKDISVFNLGIWGIFFHPLAGEKTIFEEYLQKKGDSITRPKTREIVESWQSMTPALLLLKDLKEGIIHFEDVITAKQFEVEMDASNQDLPPVGSLILGYPIHEAEKAEFFMQFTIFPVKRTEALISKVKKYADAAVKDGKTPEDFMKQEFNNVLFALLAEKDE-----------EPQAEKAEVSTVEWANDLE-----KETAAAIEEGMSGEEYPTELIPAVIDIWKTFCEKKSPVIRKPEAFAAAVEYYVNAISLNGASVSQAKLAKKYGVSASTISSRYKEIESTLQD------EADRFAQALSS 1VOL Chain:A ((1-203)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AMMNAFKEITTMADRINLPRNKVDRTNNLFRQAYEQKSLKGRANDAIASACLYIACRQEGVPRTFKEICAVSRISKKEIGRCFKLILKALETSVDLITTGDFMSRFCSNLCLPKQVQMAATHIARKAVELDLVPGRSPISVAAAAIYMASQA--SAEKRTQKEIGDIAGVADVTIRQSYRLIYPRAPDLFPTDFKFDTPVDKLPQ

General information: TITO was launched using: RESULT: Template: 1VOL.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 : 821 -68948 -83.98 -380.93 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -83.98 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_1VOL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VOL-query.scw PDB file : Tito_Scwrl_1VOL.pdb: