Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQNDIPQPIRGDKGATVKIPRNIERDRQNPDMLVPPETDHGTVSNMKFSFSDTHNRLEKGGYAREVTVRE-LPISENLASVNMRLKPGAIRELHWHKEAEWAYMIYGSARVTIVDEKGR-------SFIDDVGEGDLWYFPSGLPHSIQALE-EGAEFLLVFDDGSFSE-N-----STFQ-----------LTDWLAHTPKEVIAANFGVTKEEISNLPGKEK---YIFENQ--L-PGSLKDDIVEGPNG-EVPYPFTYRLLE--QEPI-ESEGGKVYIADSTNFKVSK--TIASALVTVEPGAMRELHWHPNTHEWQYYISGKARMTVFASDGHAR-TFNYQAGDVGYVPFAMGHYVENIGDEPLVFLEIFKDDHYADVS---LNQWLAMLPETFVQAHLDLGKDFTDVLSKEKH--PVVKKKCSK 3QAC Chain:A ((30-454)) -----------------------------------------------------------AERGLTEVWDSNEQEFRCAGVSVIRRTIEPHGLLLPSFTSAPELIYIEQGNGITGMMIPGCPETYQDQHQKIRHLREGDIFAMPAGVSHWAYNNGDQPLVAVILIDTANHANQLDKNFPTRFYLAGKPQQEHSNTGNIFRGFETRLLAESFGVSEEIAQKLQAEQDDRGNIVRV-EGLH--------------TICSARLAVNVDDPSKADVYTPEAGRLTTVNSFNLPILRHLRLSAAKGVLYRNAMMAPHYNLNAHNIMYCVRGRGRIQIVNDQGQSVFDEELSRGQLVVVPQNFA-IVKQAFEDGFEWVSFKTSENAMFQSLAGRTSAIRSLPIDVVSNIYQISREEAFGLKFNRPETTLFRSSG--

General information: TITO was launched using: RESULT: Template: 3QAC.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 : 1835 -7961 -4.34 -25.85 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -4.34 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.418

(partial model without unconserved sides chains): PDB file : Tito_3QAC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QAC-query.scw PDB file : Tito_Scwrl_3QAC.pdb: