Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNERGGEELEKMIEVKHLSKSYGSKLSPVKALDNISFTVEEGEFVGIMGPSGAGKTTLMNILSTINLPTMGSVSIQGKEITKMKNSELSDFRRKKLGFIFQEFNLIDTLNAKDNILLPLAVE---RMTKEEMEKRVRHVAQLLNIEELLKRY-PDELSVGQRQRIAAARALVVQPQVIFADEPTGSLDSKSATELLNYLKTMNQKEKATILLVTHDPYTASYCDRILFIKDGVIFSEVVRRGTRREFFEKVIDMQATIGGGGKMNAV 3TIF Chain:A ((1-230)) ------------MVKLKNVTKTYKMGEEIIYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVELPLIFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVARFGERIIYLKDGEVEREEKLR--------------------------

General information: TITO was launched using: RESULT: Template: 3TIF.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 : 1192 -23721 -19.90 -104.96 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -19.90 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.559

(partial model without unconserved sides chains): PDB file : Tito_3TIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TIF-query.scw PDB file : Tito_Scwrl_3TIF.pdb: