Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEYTSIADTGIEASRIGLGTWAIGGTMWGGTDEKTSIETIRAALD----QGITLIDTAPAYGF-------GQSEEIVGKAIKEYGKRDQVILATKTALDWKNN----QLFRHANRARIVEEVENSLKRLQTDYIDLYQVHWPD-----------------PLVPIEETAEVMKELYDAGKIRAIGVSNFSIEQMDTFRAVAPLH------TIQPPYNLFEREMEESVLPYAKDNKITTLLYGSLCRGLLTGKMTEEYTFEGDDLRNH-DPKFQKPRFKEYLSAVNQLDKLAKTRYGKSVIHLAVRWILDQPGADIALWGARKPGQLEALSEITGWTLNSEDQKDINTILENTISDPVGPEFMAPPTREEI 1LQA Chain:B ((1-316)) MQYHRIPHSSLEVSTLGLGTMTFG--------EQNSEADAHAQLDYAVAQGINLIDVAEMYPVPPRPETQGLTETYVGNWLAKHGSREKLIIASKVSGPSRNNDKGIRPDQALDRKNIREALHDSLKRLQTDYLDLYQVHWPQRPTNCFGKLGYSWTDSAPAVSLLDTLDALAEYQRAGKIRYIGVSNETAFGVMRYLHLADKHDLPRIVTIQNPYSLLNRSFEVGLAEVSQYEGVELLAYSCLGFGTLTGKYLNGAKPAG--ARNTLFSRFTRYSGEQTQKAVAAYVDIAR-RHGLDPAQMALAFVRRQPFVASTLLGATTMDQLK-------------------------------------------

General information: TITO was launched using: RESULT: Template: 1LQA.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 : 1465 -123216 -84.11 -444.82 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -84.11 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_1LQA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LQA-query.scw PDB file : Tito_Scwrl_1LQA.pdb: