Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFQFQEVFPAERTAAINVAIETAFGGAKLEDVNLLTGGLSTAPVYKLTVD--NRPYVMKLDVLHVA--ATV-DLSEKVALAAQAGIAPALLYRNVESGITISDFVENKPIRSIFT-GEVLADRLAGAVKKIHAVPYTIPGD---------------DLKATIDHILTGFRQTN-----------ILSGEIPDECLRRYAEVREIYPWQDTDKVFSHNDLNPSNILCDG--QDIWVIDWNTAFVNDRYVDLAGVANFFI---------HMPEQEAVFLKAYFGDELD---EYKKARFYVMRQISRIIYALMMLHLAAKAKPADYKHDQDVAGVLLRDVGPAIGAGKLSLATYEGQFMYGKALMHEAVQQMRTARFEASLAMLKG 2QG7 Chain:E ((110-433)) -----------------------------SLEFQIING-ITN-ILIKVKDMSKQAKYLIRLYGPKTDEIINREREKKISCILYNKNIAKKIYVFFTN--GRIEEFMDGYALSREDIKNPKFQKLIAKNLKLLHDIKLNENLYKELQVTQKVPGTRPSFLWNTIWKYFHLLNEERKKICSFDAKANILKLIDFDVLRDSIVEVESLCKRENSPIVLCHCDLLSSNIINTVGGDSISFIDFEYSCPMERAYDIANHFNEYAGFNCDWDLTPSKEEEYHFIMHYLGTDDEELINQLIREIQPFYICSHINWGLWSLLQGMHS-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2QG7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 925 -21268 -22.99 -88.62 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain E : 0.61 3D Compatibility (PKB) : -22.99 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.316

(partial model without unconserved sides chains): PDB file : Tito_2QG7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2qg7-query.scw PDB file : Tito_Scwrl_2QG7.pdb: