Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLKMRLKHIILTTCLCSTLAMAELPQDSRRPGGIAVIPLTSDIT--QVTFQHKPVLISQ-EGQQRYAVFGIPLSTPLGS--VQLE--TNKAPIQIEVKSYPYAEQRLKVTNQDYVNPNQSQLDRYAQEAKEQNDVYSSFTQSSW-QALPKFIRPTSGKFTNSFGRKRFFNGEERAPHSGLDIPAPIGQKVVAPADGVVVQTGHYFFNGQTVLIDHGQGLISMFCHLSEIRVEKGQHIRQGETLGLVGKTGRVTGPHLHWGMSLNNARVDPQLFLTTTH 2HSI Chain:B ((30-279)) -------------------------LLNKPVPGGVAVVDLGEEGPPPRAFYQGKPVLVVREEGRRWIAVVGIPLSTKPGPQKLEVRAATGNHEERFSVGSK-----------------LPEDLKRIERELAEQTAAYRRFS--PGLPSNLMLDKPVDGPLSSPFG-----------PHSGLDFAVPAGTPIKAPAAGKVILIGDYFFNGKTVFVDHGQGFISMFCHLSKIDVKLGQQVPRGGVLGKVGATGRATGPHMHWNVSLNDARVDPAIFIGA--

General information: TITO was launched using: RESULT: Template: 2HSI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1173 -6667 -5.68 -31.15 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -5.68 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_2HSI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HSI-query.scw PDB file : Tito_Scwrl_2HSI.pdb: