Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRKLTICLLIALIFYNGNAKAAERGSLEELNDLSDTVFQMTRQAKYEEALQVLEYFEKTLKSAEKKQQDPMLTGAQIRQITLGYNDMVRSLK-QADTSD-TQKLRAAAQFRMLMDAVDNRSDPLWGSLEKPIMEAFTELKRDVQKNGSTSFHEKWNEFISLYDLI-YPSLTIDVSEDQLETVGKHIDVIEQEEFQQMTESTKLERLSLLQHDLKNVFDRVEEDDADPSLL-WV-IITTGSIIITALTYVGYRKYKAEKNKLKKRDYPK 4Q6V Chain:A ((77-211)) ---------------------------------------------------------------------------------------YDWNGAMQPLVSKMLQADGVTAGSVLLVDSVNNRTN---GSLN--ANEATETLRNALANNGKFTL-------VSVQQLSMAKQQLGLSPQDSLGTRSKAIGIARNVGAQYVLYS------------------SASGNVNAPALQMQLMLVQTGEIIWSGKGAVQQ-----------------

General information: TITO was launched using: RESULT: Template: 4Q6V.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 : 575 20720 36.03 159.38 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 36.03 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.155

(partial model without unconserved sides chains): PDB file : Tito_4Q6V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q6V-query.scw PDB file : Tito_Scwrl_4Q6V.pdb: