Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRRKTALMMLSVLMVLAIFLSACSGSKSSNSSAKKSAGKPQQGGDLVVGS--IGEPTLFNSLYSTDDASTDIENMLYSFLTKTDE-KLNVKLSLAESIKELDGGLAYDVKIKKGVKFHDGKELTADDVVFTYSVPLSKDYKGERGSTYEMLKSVEKKGDYEVLFKLKYKDGNFY-NNALDSTA-ILPKHILGNVPIADLEENEFNRKKPIGSGPFKFKEWKQGQYIKLEANDDYFEGR-----PYLDTVTYKVIPDANAAVAQLQAGDINFFNVP-AT--DYKTAEKFNNLKIVT--DLALSYVYIGWNEKNELFKDKKVRQALTTALDRESIVSQVLDGDGEVAY--IPESPLSW--NYPKDI--DVPKFEYNEKKAKQMLAEAGWKDTNGDGIL-DKDGKKFSFTLKTNQGNKVREDIAVVVQEQLKKIGIEVKTQIVEWSALVEQMNPPNWDFDAMVMGWSLS--TFPDQ-Y-DIFHSSQI----KKGLNYVWYKNAEADKLMKDAKSIS--DRKQYSKEYEQIYQKIAEDQPYTFLYYPNNHMAMPENL-EGYK--YHPKRDLYNIEKWWLAK 4PFU Chain:A ((7-528)) --------------------------------------------ETMYYGGSLWSPPSNWNPFTPWNA-VPGTTGLVYETMFFYDPLTGNFDPWLAEKGEWL-DSKTYRVVLREGIYWHDNVPLTSEDVRFTFEIAKKYKGI-HYSSVWEWLDHIETPDNRTVIFVFKDPRYHEWNELLY--TLPIVPKHIWEEKDETTI--LQSSNEYPLGSGPYVAHSWDQN-KMIFERFENWWGTKVMGVKPAPKYVVIVRVLSNNVALGMLMKGELDFSNFMLPGVPILKKVYNLNTWYDEPPYHLSSTVVGLFLNARKYPLSLPEFRRAIAMSINADPIVQRVYEGAVLKADPLGFLPNSVWMKYYP-KEVVEKHGFKYDPEEAKSILDKLGFRDVNGDGFRETPDGKPIKLTIECPYGWTDWMQAIQVIVDQLKVVGINAEPYFPDSSKYYENMY--KGEFDIEMNANGTGISSTPWTYFNTIFYPDALESEFSYTGNYGRYQNPEVESLLEELNRTPLDNVEKVTELCGKLGEILLKDLPFIPLWYGAMAFITQDNVWTNWPNEHNPYAWPCGWANWWQT-

General information: TITO was launched using: RESULT: Template: 4PFU.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 : 2623 -181659 -69.26 -373.02 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -69.26 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_4PFU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PFU-query.scw PDB file : Tito_Scwrl_4PFU.pdb: