Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDQQALNSIMQDLAVLHKASRPALSLQETRKAKSSSPKKQNDVRVKFEHRGEKRILQFPRPVKLEDLRSKAKIAFGQSMDLHYTNNELVIPLTTQDDLDKAVELLDRSIHMKSLKILLVINGSTQATNLEPLPSLEDLDNTVFGAERKKRLSIIGPTSRDRSSPPPGYIPDELHQVARNGSFTSINSEGEFIPESMDQMLDPLSLSSPENSGSGSCPSLDSPLDGESYPKSRMPRAQSYPDNHQEFSDYDNPIFEKFGKGGTYPRRYHVSYHHQEYNDGRKTFPRARRTQGTSLRSPVSFSPTDHSLSTSSGSSIFTPEYDDSRIRRRGSDIDNPTLTVMDISPPSRSPRAPTNWRLGKLLGQGAFGRVYLCYDVDTGRELAVKQVQFDPDSPETSKEVNALECEIQLLKNLLHERIVQYYGCLRDPQEKTLSIFMEYMPGGSIKDQLKAYGA----LTENVTRKYTRQILEGVHYLHSNMIVHRDIKGANILRDSTGNVKLGDFGASKRLQTICLSGTGMKSVTGTPYWMSPEVISGEGYGRKADIWSVACTVVEMLTEKPPWAEF--EAMAAIFKIATQPTNPKLPPHVSDYTRDFLKRIFV-EAKLRP-----SADELLRHMFVHYH----------------------------------------------------------------------- 3C4Z Chain:A ((31-533)) ----------------------------RDRKYLAR--------------------LKLPPLSKCEALRESLD--------------------------LGFEGMCLEQPIGKRLFQQFLRTHEQHGPALQLWKDIEDYDTADDALRPQKAQALRAAYLEPQAQLFCSFLDAETVARAR---------AGGLFQPLLRAVLAHLG----------------------------------------------QAPFQEFLDSLYFLRFLQWKWLEAQ-------------------------------------------------------------------------PMGEDWFLDFRVLGRGGFGEVFACQMKATGKLYACKKLN--KKRLKKRKGYQGAMVEKKILAKVHSRFIVSLAYAFETKT--DLCLVMTIMNGGDIRYHIYNVDEDNPGFQEPRAIFYTAQIVSGLEHLHQRNIIYRDLKPENVLLDDDGNVRISDLGLAVELKA---GQTKTKGYAGTPGFMAPELLLGEEYDFSVDYFALGVTLYEMIAARGPFRARGEKVENKELKQRVLEQAVTYPDKFSPASKDFCEALLQKDPEKRLGFRDGSCDGLRTHPLFRDISWRQLEAGMLTPPFVPDSRTVYAKNGAFSGVAFEKADTEFFQEFASGTCPIPWQEEMIETGVFGDLNVWRP

General information: TITO was launched using: RESULT: Template: 3C4Z.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 : 1869 -78554 -42.03 -191.59 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -42.03 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.269

(partial model without unconserved sides chains): PDB file : Tito_3C4Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c4z-query.scw PDB file : Tito_Scwrl_3C4Z.pdb: