Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKQPGQAVSWQEQRLEQAIAAMSDWQNKTIHYRPVSGGISNANWHVAVEGAPCAYFVKIPGEGTERFINRDTAHEASLKAAQTGYGVPVVAYLRDLGVEVFEFIDGWRASSNLDFQQQGIRHRALHALKSFNDQPLLTED---------------KTVFDMLGEHIEQVRSLQAPF-----------SADAVWLHKQAQRAQQALEAAGLDRVPCMNDTLAGNFMLNAS-NDIRLVDFEYASNNDRCYELALWFGEMF---------FTPQIELELLEDYFGKVD----AAIFARVQIHKYLADMKWSTWAIIQHQVADIDFDFSKYGRWKELRARSVLNHPDWENWLRAL 2QG7 Chain:E ((110-453)) -----------------------------SLEFQIING-ITNILIKVKDMSKQAKYLIRLYGPKTDEIINREREKKISCILYNKNIAKKIYVFFTN--GRIEEFMDG-YALSREDIKNPKFQKLIAKNLKLLHDIKLNENLYKELQVTQKVPGTRPSFLWNTIWKYFHLLNEERKKICSFDAKANILKLIDFDVLRDSIVEVESLCKRENSPIVLCHCDLLSSNIINTVGGDSISFIDFEYSCPMERAYDIANHFNEYAGFNCDWDLTPSKEEEYHFIMHYLGTDDEELINQLIREIQPFYICSHINWGLWSLLQGMHSS-DFDFINYGMTRLTASCLPI------------

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 : 1083 -25978 -23.99 -97.66 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain E : 0.68 3D Compatibility (PKB) : -23.99 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.382

(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: