Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLQFQQVGYWYKNKSQPLFQDINISFQKGKFYTIVGTSGTGKTTFLSLAGGLDAPKEGNILYDGKAVSKIGLTNFRNQYVSIVFQAYNLLPYMTALQNVTTAMEIT--GSKEKNKE-SYALDMLQKVGINEKQARQKVLTLSGGQQQRVSITRAFCCDTDLIVADEPTGNLDEDTSKEIVRLFQDLAHKEDKCVIMVTHDEQIAKVSDINIRLSRGSFTVKENVAVV 1VCI Chain:A ((31-209)) -----------------------LNLTIKDGEFLVLLGPSGCGKTTTLRMIAGLEEPTEGRIYFGDRDVTYL---PPKDRNISMVFQ------HMTVYENIAFPL--KKFPKDEIDKRVRWAAELLQ---IEELLNRYPA-QLSGGQRQRVAVARAIVVEPDVLLMDEPLSNLDAKLRVAMRAEIKKLQQKLKVTTIYVTHDQ--------------------------

General information: TITO was launched using: RESULT: Template: 1VCI.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 : 679 -86824 -127.87 -535.95 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -127.87 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_1VCI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VCI-query.scw PDB file : Tito_Scwrl_1VCI.pdb: