Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEFIQANANWLYLVGAILFILTLRGLSGPKTAIQGNRYGMIAMAIAVVTTFFVANNPVIWMIGGAMVLGAIVGIARARTVPMTQMPETVALMHSLVGLAAVLIAVAAILHNNQLTALFAQNEAALTAAGVQHAHMSKVHLFELFVGCFVGAITFTASVFAYGKLAAKKWAKTISGAWVKPVQALIFVAMLACGFYFFTTGNMTAFWAMTALALAFGWVWIAPVGGGDMPVVVSLLNSFSGWAAAGIGFTLENNMLIVAGSLVGSSGAILSYIMCKAMNRSIINVLFGGAMGGAAVSTAAKGEQVQRNYRSGSADDAGFLMSNADSVVIVPGYGMAQGRAQNAVKELCEILKEQGVRVRFAIHPVAGRMPGHMNVLLAEADVAYEDILEMDEINSDFPATDVVLVIGANDVVNPAAKDDPGSPIYGMPILEAHKARTIMVIKRSMATGYAGLDNDLFYNEKTMMIFGDAKKVVEDMTKAINGTGH 4O9U Chain:B ((1-448)) MDLIQAA----YFVVAILFIVGLKRMAHPTTAKSGIVWAGWGMVLAVLATFFWPGMGNFALILLALLLGSVVAWWAAVRVAMTDMPQMVAIYNGMGGGAAATIAAVELLKG-------AFENTGLMALAI--------------LGGLIGSVAFTGSLIAFAKLQGIMKSRPILFPGQKAVNALVLALTVVIGLSLLWNDATASIVLFFLLALLFGVLMTLPIGGGDMPVAISFYNAFTGMAVGFEGFAVGNPALMVAGTLVGAAGTLLTVLMARAMNRSVWSVLVGG----------------KGSLKPIDVEDAAVMLAYAGKVVFVPGYGMALSQAQHKLKELADLLEARGVEVKFAIHPVAGRMPGHMNVLLAEAGVDYDKLKDLEEINPEFPTVDVAVVIGANDVVNPAAR-RPGSPLYGMPILDVDKAKNVIVIKRGQGKGFAGVENELFYAENTRMLYGDAQKVLTELIQALK----

General information: TITO was launched using: RESULT: Template: 4O9U.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2060 -325321 -157.92 -742.74 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -157.92 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.384

(partial model without unconserved sides chains): PDB file : Tito_4O9U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4O9U-query.scw PDB file : Tito_Scwrl_4O9U.pdb: