Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSFSQKLNTYAQLAVEVGVNVQKGQYVVVNASTDVRDFVRLIVKHAYEKGAKNVTVNWQDDEVAKLKYELAPFEAFEEYPEWEAKGREELAKNGAAFISVVSSNPDLLKGIDSKRIAAFQKAAGKALHTYRQYIQSDKVSWTVVGAASAGWAHKVFP-GKSEEEAIHLLWEEIFKATRVNEDNPVQAWINHDQNLHEKVDHLNERHYAALHYQAEGTDLTIKLPRKHVWAGAGSVNESGHEFMANMPTEEVFTLPQKDGVDGVVSSTKPLSYGGNIIENFTLTFENGRIVDIKAEKGEDILKELVETDEGSHYLGEVALVPYDSPISQSNILFYNTLFDENASNHLAIGSAYAFNIEGGKQMSREELVKEGLNESITHVDFMIGSKDMNIDGITADGKREPIFRNGNWAF 4ICQ Chain:B ((3-412)) LPNFKENLEKYAKLLVANGINVQPGHTLALSIDVEQRELAHLIVKEAYALGAHEVIVQWTDDVINREKFLHAPMERLDNVPEYKIAEMNYLLENKASRLGVRSSDPGALNGVDADKLSASAKAMGLAMKPMRIATQSNKVSWTVAAAAGLEWAKKVFPNAASDEEAVDFLWDQIFKTCRVYEADPVKAWEEHAAILKSKADMLNKEQFSALHYTAPGTDLTLGLPKNHVWESAGAVNAQGEEFLPNMPTEEVFTAPDFRRADGYVTSTKPLSYNGNIIEGIKVTFKDGQIVDITAEKGDQVMKDLVFENAGARALGECALVPDPSPISQSGITFFNTLFDENASNHLAIGAAYATSVVDGAEMSEEELEAAGLNRSDVHVDFMIGSNQMDIDGIREDGTRVPLFRNGNWA-

General information: TITO was launched using: RESULT: Template: 4ICQ.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 : 2382 -155928 -65.46 -381.24 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -65.46 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.572

(partial model without unconserved sides chains): PDB file : Tito_4ICQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ICQ-query.scw PDB file : Tito_Scwrl_4ICQ.pdb: