Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAQLFVVATPIGHLDDMTFRAIDILKSVSVVAAEDTRQSAQLFKHYNISTPLTACHDHNESNKIEQLVQKLLAGENIALISDAGTPLISDPGFKLVRAAQEHGIRVVPVPGACAAIAALSAVGLPS------DRFSFEGFLPSKAS-QRITQLEKLKNETQTLIFYEAPHRILECVKNMAEVFGENRPVGFAREITKTFETIKKMTLKDLVSFIENDHNQEKGEIVLVVGGAPEKTDQEQEKLDELLKRLLQDLSVKAASQLAADLTGIKKKVAYQRALELTQS 3NDC Chain:A ((3-234)) -HMTVHFIGAGPGAADLITIRGRDLIASCPVCLYAGSLVPEALLAHCPPGAKIVNTAPMSLDAIIDTIAEAHAAGQDVARLH-SGDLSIWSAMGEQLRRLRALNIPYDVTPGVPSFAAAAATLGAELTLPGVAQSVILTRTSGRASAMPAGETLENFARTGAVLAIHLSVHVLDEVVQKLVPHYGEDCPVAIVWRASWPDQRVVRATLATLQTSLG---AELERTALILVGRSLATE------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NDC.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 : 1135 -77701 -68.46 -345.34 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -68.46 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.523

(partial model without unconserved sides chains): PDB file : Tito_3NDC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NDC-query.scw PDB file : Tito_Scwrl_3NDC.pdb: