Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSFSQKLNTYAQLAVEVGVNVQKGQYVVVNASTDVRDFVRLIVKHAYEKGAKNVTVNWQDDEVAKLKYELAPFEAFEEYPEWEAKGREELAKNGAAFISVVSSNPDLLKGIDSKRIAAFQKAAGKALHTYRQYIQSDKVSWTVVGAASAGWAHKVFP-GKSEEEAIHLLWEEIFKATRVNEDNPVQAWINHDQNLHEKVDHLNERHYAALHYQAEGTDLTIKLPRKHVWAGAGSVNESGHEFMANMPTEEVFTLPQKDGVDGVVSSTKPLSYGGNIIENFTLTFENGRIVDIKAEKGEDILKELVETDEGSHYLGEVALVPYDSPISQSNILFYNTLFDENASNHLAIGSAYAFNIEGGKQMSREELVKEGLNESITHVDFMIGSKDMNIDGITADGKREPIFRNGNWAF 4ICR Chain:B ((6-411)) ---FKENLEKYAKLLVANGINVQPGHTLALSIDVEQRELAHLIVKEAYALGAHEVIVQWTDDVINREKFLHAPMERLDNVPEYKIAEMNYLLENKASRLGVRSSDPGALNGVDADKLSASAKAMGLAMKPMRIATQSNKVSWTVAAAAGLEWAKKVFPNAASDEEAVDFLWDQIFKTCRVYEADPVKAWEEHAAILKSKADMLNKEQFSALHYTAPGTDLTLGLPKNHVWESAGAVNAQGEEFLPNMPTEEVFTAPDFRRADGYVTSTKPLSYNGNIIEGIKVTFKDGQIVDITAEKGDQVMKDLVFENAGARALGECALVPDPSPISQSGITFFNTLFDDNASNHLAIGAAYATSVVDGAEMSEEELEAAGLNRSDVHVDFMIGSNQMDIDGIREDGTRVPLFRNGNW--

General information: TITO was launched using: RESULT: Template: 4ICR.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 : 2161 -157623 -72.94 -389.19 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -72.94 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.616

(partial model without unconserved sides chains): PDB file : Tito_4ICR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ICR-query.scw PDB file : Tito_Scwrl_4ICR.pdb: