Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFEKLGQSGRARRGRLTLEHGVVETPIFMPVGTYGTVKGMLPRDIEDIQAQIILGNTFHLYLRPGLEVIKQHGGLHDFIKWNKPILTDSGGFQVFSLGAMRKIKEEGVTFRSPIDGSKVFLSPEISMEIQHVLNSDIVMIFDECTPYPATHEEAQKSLQLSLRWAKRCKAH--HHDELKNKNALFGIIQGGMYEDLRDESLNGLLEIGFDGYAIGGLSVGEPKEEMIKVLDYLPNKMPHDKPRYLMGVGKPEDIVEAVRRGVDMFDCVMPTRNARNGHYFVTDGLVRIRNSKYRHDQGPLDPHCDCYTCKNFTRAYLFHLEKCGEMLASMLGTIHNLRYYQRLTEGMRDALDKGTFDEFVQDFYARRGLEVPPCPVDE 4HSH Chain:A ((14-379)) -SFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGFQVMS----TKQSEEGVTFKSH----RHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAGGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRAR------------

General information: TITO was launched using: RESULT: Template: 4HSH.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 : 2103 -35638 -16.95 -100.11 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -16.95 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.587

(partial model without unconserved sides chains): PDB file : Tito_4HSH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HSH-query.scw PDB file : Tito_Scwrl_4HSH.pdb: