Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------MDELIMESLISRIKNNFPEINIKKFYAIESGWMNYIIVIN-----DAIVFRFPKTRKMVKKFQKEIRLLSILHNPPVKVPEYVFISKDEPVYGGYYK-INGVPLNNSKSLGKGILSDFIRFLNYLKSYNGYKFHSNDIDIYN----------YKTWKYYENSLIQMFS-----ESLADHIKESYFNNIVNLMESAFSDLEPDD--FSLIHGDLSNGNVIINRRHDRINGIIDWSDSCYGDMALDIAAIVDNY-----------PIAALDPLLLNYE----QKFSHRAIKRVLFYRAVSPLYYAHYMARTGNNDLKNYCDQIINGRKYKIRMGAAEKMLKNK 2QG7 Chain:A ((50-458)) YPITESNLRILEGEDRSEKAKELLKKYVSNVFENEKTLYIYCKYVMLHYGKDLVNPNEVDSLEFQIINGTNILIKVKDMSKQAKYLIRLYGPTDEIINREREKKISCILYNKNIAKKIYVFFTN-----GRIEEFMDGYALSREDIKNPKFQKLIAKNLKLLHDIKLNENLYKELQVTQKVPGTRPSFLWNTIWKYFHLLNEERKKICSFDAKANILKLIDFDVLRDSIVEVESLCKRENSPIVLCHCDLLSSNIINTVGEGDSISFIDFEYSCPMERAYDIANHFNEYAGFNCDWDLTPSKEEEYHFIMHYLGTDDEELINQLIREIQPFYICSHINWGLWSLLQGMHSF-----DFINYGMTRLTASCLPIFRSKV

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 A - contact count / total energy / energy per contact / energy per residue : 1204 -9177 -7.62 -31.32 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -7.62 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.380

(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: