Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYQSASIIVCNIDKDRSHPMIEFQNVSKLYG-DKEALSNLNLQIENGEIMGLIGHNGAGKSTTIKSLVSIISPSSGRILVNGQELSENR---LAIKRKIGYVADSPD-LFLRLTANEFWELIASSYDLTSSDLETSLARLLNVFDFAENRYQVIETLSHGMRQKVFVIGALLSDPDIWVLDEPLTGLDPQAAFDLKQMMKEHAQKGKTVLFSTHVLEVAEQVCDRIAILKKGHLIYCGSVEDLRKDYPDQSLESIYLSLAGRKEEVADASQGH 5X3X Chain:B ((3-231)) ------------------PILAAEALTYAFPGGVKALDDLSLAVPKGESLAILGPNGAGKSTLLLHLNGTLRPQSGRVLLGGTATGHSRKDLTGWRRRVGLVLQDADDQLFATTVFEDVSFGPLNLGLSEAEARARVEEALAALSISDLRDRPTHMLSGGQKRRVAIAGAVAMRPEVLLLDEPTAGLDLAGTEQLLTLLRGLRAAGMTLVFSTHDVELAAALADRVALFRTGRVLAEGAAEAVLSDR--------------------------

General information: TITO was launched using: RESULT: Template: 5X3X.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 : 1165 1263 1.08 5.64 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : 1.08 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_5X3X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5X3X-query.scw PDB file : Tito_Scwrl_5X3X.pdb: