Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFFVFSERRSISWHESVKLSLGVLAICVMSLAKLINELNAQQKKAATTMAQNCLVLAGAGCGKTKTIVARAAYLVDQ-GLPANQIQILTFTRRAASEIVARVEQHVGAQAKGLRASTFHTFCMYLLRRNPQAFGLTQ-FSIIDRDDQLLMFRLLRG----KDKDNVLPKAAELCDLYSYARNTQSKLSEALLKQLPEAYEYKSQIAELMKTYEQRKRERNFLDYDDILSIVDVHLQNSEVLTNWVAGFCQALLVDEMQDTNPLQWALLQPLIGKVK-LFCVGDDAQSIYGFRGADFENIHSFKERIPDAVIHTLDLNYRSTQEILDLSNWLLAHSPIDYQKQLQAHRGKGQKPQLHLFGNEFEEANWIAQDLIERHQQGANWYDHMVLVRSGYSARYLEGAFIAAEIPYRFIGGVKLLESAHVKDVLSLLRIVSNPQDDLAWMRFLTLWDGIGDVGASKLAQELMSICEVEERCQRLERHGKVPLQAILILKQLDVLQQHVEASIGLA--LDALSEQLEQNYKTKDWSRRVRD----FDLVKQLARKH-------------------------ASLGEFLEEYVL----EPISISEIEKAGDDDLVTLITIHSAKGAEQKVCYVPHVSPNQYPY--ARAQGDFDEVEEERRVLYVALTRAENELILT-KQNLNTWSQDTYDEQGRKIESYFLNDLPAHLVQAKIHRQVPQPFAKKQWNTSRTVNLGFGIDLD 4C2U Chain:A ((9-648)) ----------------------------------LLQALNPTQAQAADHFTGPALVIAGAGSGKTRTLIYRIAHLIGHYGVHPGEILAVTFTNKAAAEMRERA-GHLVPGAGDLWMSTFHSAGVRILRTYGEHIGLRRGFVIYDDDDQLDIIKEVMGSIPGETQPRVIRGIIDRAKSNLWTPDDLDRSREPFISGLP-----RDAAAEAYRRYEVRKKGQNAIDFGDLITETVRLFKEVPGVLDKVQNKAKFIHVDEYQDTNRAQYELTRLLASRDRNLLVVGDPDQSIYKFRGADIQNILDFQKDYPDAKVYMLEHNYRSSARVLEAANKLIENNTERLDKTLKPVKEAGQPVTFHRATDHRAEGDYVADWLTRLHGEGRAWSEMAILYRTNAQSRVIEESLRRVQIPARIVGGVGFYDRREIRDILAYARLALNPADDVALRRIIGR---PRRGIGDTALQKLMEWART---------HHTSVLTACANAAEQNILDRGAHKATEFAGLMEAMSEAAD-NYEPAAFLRFVMETSGYLDLLRQEGQEGQVRLENLEELVSAAEEWSQDEANVGGSIADFLDDAALLSSVDDMRTKAENKGAPEDAVTLMTLHNAKGLEFPVVFIVGVEQGLLPSKGAIAEGP-SGIEEERRLFYVGITRAMERLLMTAAQNRMQFGKTNAAE-----DSAFLEDI-------------------------------------

General information: TITO was launched using: RESULT: Template: 4C2U.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 : 2979 47606 15.98 80.41 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 15.98 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_4C2U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C2U-query.scw PDB file : Tito_Scwrl_4C2U.pdb: