Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFFVFSERRSISWHESVKLSLGVLAICVMSLAKLINELNAQQKKAATTMAQNCLVLAGAGCGKTKTIVARAAYLVDQ-GLPANQIQILTFTRRAASEIVARVEQHVGAQAKGLRASTFHTFCMYLLRRNPQAFGL-TQFSIIDRDDQLLMFRLLRGKDKDNVLP-KAAELCDLYSYARNTQSKLSEALLKQLP-EAYEYKSQIAELMKTYEQRKRERNFLDYDDILSIVDVHLQNSEVLTNWVAGFCQALLVDEMQDTNPLQWALLQPLI-GKVKLFCVGDDAQSIYGFRGADFENIHSFKERIPDAVIHTLDLNYRSTQEILDLSNWLLAHSPIDYQKQLQAHRGKGQKPQLHLFGNEFEEANWIAQDLIERHQQGANWYDHMVLVRSGYSARYLEGAFIAAEIPYRFIGGVKLLESAHVKDVLSLLRIVSNPQDDLAWMRFLTLWD-GIGDVGASKLAQELMS-ICEVEERCQRLERHGK-VPLQ---AIL---ILKQLDVL-QQHVEASIG--LALDALSEQLEQNYKTKDWSRRVRDFDLVKQLARK--------HASLGEFLEEYVLEPISIS----EIEKAGDDDLVTLITIHSAKGAEQKVCYVPHVSPNQYPYARAQG-DFDEVEEERRVLYVALTRAENELILTKQNLNTWSQDTYDEQGRKIESYFLNDLPAHLVQAKIHRQVPQPFAKKQWNTSRTVNLGFGIDLD 4C2U Chain:A ((7-654)) --------------------------------PDLLQALNPTQAQAADHFTGPALVIAGAGSGKTRTLIYRIAHLIGHYGVHPGEILAVTFTNKAAAEMRERAGHLVP-GAGDLWMSTFHSAGVRILRTYGEHIGLRRGFVIYDDDDQLDIIKEVMGSIPG---ETQPRVIRGIIDRAKSNLWTPDDLDRSREPFISGLPRDAAAEAYRRYEVRKKGQNAIDFGDLITETVRLFKEVPGVLDKVQNKAKFIHVDEYQDTNRAQYELTRLLASRDRNLLVVGDPDQSIYKFRGADIQNILDFQKDYPDAKVYMLEHNYRSSARVLEAANKLIENNTERLDKTLKPVKEAGQPVTFHRATDHRAEGDYVADWLTRLHGEGRAWSEMAILYRTNAQSRVIEESLRRVQIPARIVGGVGFYDRREIRDILAYARLALNPADDVALRRIIGRPRRGIGDTALQKLMEWARTHHTSVLTACANAAEQNILDRGAHKATEFAGLMEAMSEAADNYEPAAFLRFVMETSGYLDLLRQE--GQEGQVRLENLEELVSAAEEWSQDEANVGGSIADFLDDAALLSSVDDMRTKAENKGAPEDAVTLMTLHNAKGLEFPVVFIVGVEQGLLPSKGAIAEGPSGIEEERRLFYVGITRAMERLLMTAAQNRMQFG----KTNAAEDSAFLEDIEGLFDT-------------------------------

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 : 3299 76894 23.31 125.03 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 23.31 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.443

(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: