Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRIQLAEDLQFSRVIHGLWRLNEWNYSDAELLSLIEWCIDHGITTFDHADIYGGYTCEKLFGNALALS----PGLRENIELVTKCGIVLESPERPAHRSHHYNTSKSHILASVEQSLMNLRTDYIDMLLIHRPDPL-------------------MDPEGVAEAFQALKCSGKVRYFGVSNFKDHQYRMLESYLPEKLVTNQIELSAYELENMLDGTLNLCQEKRIPPMAWSPLAGGKVFTENTDKDRRVRTALESVQGEIGAASLDEVMYAWLYTHPAGIMPIVGSGKRERISAAINALSYKLDQDQWFRIFTAVQGYDIP 4HBK Chain:A ((1-290)) MEPLKMNNGRSIPVIGLGTWNSP-----PGEVGAAVKKALEIGYRHLDCAYVYR---NEAEIGEALENALNSLRLKREDIFITSKLWNT--------------FFRPEHVRKACEETLKNLRLNYLDLYLIHWPVPLKHGGDLFPTDSNGQLCLDNVPHEDTWKEMEKLVDEGLVKSIGLSNFNKRQIQNILEHCRIKPANLQIEIHANFPNI---KLVEYAQSVGLTVTAYAPLG---------NL--LTKPCVLEIAHRHK-KTPAQVLLRYLLQRKLI--VVPKSVTFKRIEENFQVFDFQLSNEEMHELNTESLNE---

General information: TITO was launched using: RESULT: Template: 4HBK.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 : 1447 -160511 -110.93 -622.13 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -110.93 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.415

(partial model without unconserved sides chains): PDB file : Tito_4HBK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HBK-query.scw PDB file : Tito_Scwrl_4HBK.pdb: