Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------MNPATQDAAAAEEESPVVCTAKKYIFDLHSYAWKESDCLIRIPRPHKGMGHGGMRVCYAVEDVDEEGAGTPMVAKMFRRNISDVVEKD-----YFNEGA---AQCMC------EEFANNFNRIHLTNIHKPNISFLQCYVVRIPRDSIPVASQKKRTGFFSYKTQDTGEVMFVMEPMLSGKFTKYNSNYGETYREDKKAALTSSEAKRRTEVFEAAEAFSHFTLVESG-GSMLVCDLQGVNDFLTDPQIHTEDGKGLGMGNMGQEGIDKWIEKHECNEICRALGLQPLLGAVPSSTACAKEENLNLGLRAQLQSQNPVRLRDLVPLTKPLEEMT--EAERIEYALKVSRLTD---- 4NXT Chain:A ((9-345)) DLKKSRLRMSLQEKLLTYYRNRAAIPAGEQARAKQAAVDICAELRSFLRAKLPDMPLRDMYLSGSLYDDLQVVTADHIQLIVPLVLEQNLWSCIPGEDTIMNVPGFFLVRRENPEYFPRGSSYWDRCVVGGYLSPKTVADTFEKVVAGSINWPAIGSLLDYVIRPAPPP------EALTLEVQYERDKHLFIDFLPSVTLGDTVLVAKPHRLAQYDNLWRLSLRPAETARLRALDQA----------DSGCRSLCLKILKAICKSTPALGHLTASQLTNVILHLAQEEAD-WS---------PDMLADRFLQALRGLISYLEAGVLPSALN---------------PKVNLFAELTPEEIDELGYTLYCSLSEPEVLL

General information: TITO was launched using: RESULT: Template: 4NXT.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 : 1277 21507 16.84 73.15 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 16.84 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.180

(partial model without unconserved sides chains): PDB file : Tito_4NXT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NXT-query.scw PDB file : Tito_Scwrl_4NXT.pdb: