Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVDYEREEEHTTPEQPKRSKKGYFLSSLIGVIVGAVLMAFIMPYLSNEGLDTGALDQQQNNNGRESIRTVNVSVNNAVTKIVSNMSPAVVGVVNIQKSDIWGESGEAGSGSGVIYKKNDHSAYVVTNHHVIEGASQIEISLKDGSRVSADLVGSDQLMDLAVLRVKSDKIKAVADFGNSDKVKSGEPVIAIGNPLGLEFAG--SVTQGVISGTERAIPVDSNGDGQPDWNAEVLQTDAAINPGNSGGALLNMDGKVIGINSMKIAESAVE-GIGLSIPSKLVIPVIEDLERYGKVKRPFLGIEMKSLSDIASYHWDETLKLPKNVTNGAVVMGVDAFSPAGKAGLKELDVITEFDGYKVNDIVDLRKRLYQKKVGDRVKVKFYRGGKEKSVDIKLSSADQLGS 3PV3 Chain:D ((79-342)) -------------------------------------------------------------------------------------------------------------GSGVIIDPNN--GVIITNDHVIRNASLITVTLQDGRRLKARLIGGDSETDLAVLKIDAKNLKSLV-IGDSDKLEVGDFVVAIGNPFGLN---SQSATFGIVSALK-------------NF----IQTDAAINPGNAGGALVNAKGELIGINTAILS-YGGNVGIGFAIPINMVKDVAQQIIKFGSIHRGLMGIFVQHLTP----ELAQAMGYPEDF-QGALVSQVNPNSPAELAGLKAGDIITQINDTKITQATQVKTTISLLRVGSTVKIIVERDNK----------------

General information: TITO was launched using: RESULT: Template: 3PV3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1302 -59575 -45.76 -242.17 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.73 3D Compatibility (PKB) : -45.76 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_3PV3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PV3-query.scw PDB file : Tito_Scwrl_3PV3.pdb: