Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQLLQDSWWNQLKEEFEKPYYQELREMLKREYAEQTIY-PDSRDIFNALHYTSYDDVKVVILGQDPYHGPGQAQGLSFSVKPGVKQ-PPSLKNIFLELQQDIGCSIPNHGSLVSWAKQGVLLLNTVLTVRRGQANSHKGKGWERLTDRIIDVLSERERPVIFILWGRHAQMKKERIDTSKHFIIESTHPSPFSARNGFFGSRPFSRANAYLEKMGEAPIDWCIKDL 4WS5 Chain:A ((17-235)) LSELVERGWAAALEPVADQ--VAHMGQFLRAEIAAGRRYLPAGSNVLRAFTF-PFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDW-----

General information: TITO was launched using: RESULT: Template: 4WS5.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 : 1084 -8983 -8.29 -41.40 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -8.29 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_4WS5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WS5-query.scw PDB file : Tito_Scwrl_4WS5.pdb: