Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRRKTALMMLSVLMVLAIFLSACSGSKSSNSSAKKSAGKPQQGGDLVVGSIGEPTLFNSLYSTDDASTDI-ENMLYSFLTKTDE-KLNVKLSLAESIKELDGGLAYDVKIKKGVKFHDG------KELTADDVVFTYS----VPLSKDYKGERGSTY-------EMLKSVEKKGDYEVLFKLKYKDGNFYNN-ALDSTAILPKHILGNVPIADLEENEFNRKKPIGSGPFKFKEWKQGQYIKLEANDDYFEGRPYLDTVTYKVIPDANAAVAQLQAGDINFFNVPAT-DYKTAEKFNNLKIVTDLALSYVYIGWNEKNELFKDKKVRQALTTALDRESIVSQVLDGDGEVAYIPESPLSWNYPKDIDVPKFEYNEKKAKQMLAEAGWKDTNGDGILDKDGKKFSFTLKTNQGNKV----REDIAVVVQEQLKKIGIEVKTQIVEWSALVEQMNPPNWDFDAMVMGWSLSTFPDQYDIF----HSSQIKKGLNYVWYKNAEADKLMKDAKSISD---RKQYSKEYEQIYQKIAEDQPYTFLYYPNNHMAMPENLEGYKYHPKRDLYNIEKWWLAK 4QFN Chain:A ((31-523)) ----------------------------------------------LVYCAEANPVSFNPQVTTTGSTIDIIANQLYDRLISIDPVTAEFKSELATDWKISKDGKSVTFTLRKGVKFHTTAYFTPTREFNADDVIFTFSRLFDVYNPYHFVGDANYPYFQSVGIDQLIRKIVRVSDHQVRFELFNAESSFLANMATDFAVVLSKEYAMALK-ANNQENLFD-QYPVGTGPYIYKEYRRDHLVRFYKNADYWKHEVALEQLVYDITPNGTTRIAKILTKECDVTAHPSSAQLSILAQRDDINVERETNLNIGYWAFNTERPPFDNLKVRQALVHAIDIEKIMQAVYYGNGLRARSILPPTSWAFEPQKNMPIFD--PQLAKKLLTEAGYE------------KGFDMSIWAMPVSRIYNPNARKMAELMQSDLRKIGVNVNIVEYEWNTFIQRIG--EHRHDSVLLGWAADT-PDPDNFFSPLLSCTATFSGKNPANWCNPEFDLLLTKALDTTDLNLRKQY---YDAAQSMIIEQLPLYPIAHGMRFQASSADVEGITLGP--------------

General information: TITO was launched using: RESULT: Template: 4QFN.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 : 2543 -151320 -59.50 -328.24 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -59.50 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.452

(partial model without unconserved sides chains): PDB file : Tito_4QFN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QFN-query.scw PDB file : Tito_Scwrl_4QFN.pdb: