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:A ((30-279)) -------------------------LLNKPVPGGVAVVDLGEEGPPPRAFYQGKPVLVVREEGRRWIAVVGIPLSTKPGPQKLEVRAATGNHEERFSVGSK------------------PEDLKRIERELAEQTAAYRRFS--PGLPSNLMLDKPVDGPLSSPF------------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 A - contact count / total energy / energy per contact / energy per residue : 1158 -5349 -4.62 -25.23 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -4.62 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.584

(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: