Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------MLQAVYLTPIELHQT-PDW---SDRPYNIH-RDPLWK-TEKQGKEFDDVWFYHCDHLGTPQEMTDHTGAIIWKAEYKAWGECKAEKAKSNFFENSEIISNNIRFQGQYFDEETGLHYNRYRYYSP-YVGRFVSKDPIGLLGGSNNYAYAPSPTEWVDPLGLSCQKIPKGFKSFGQLKQFGQAMQAGFSKLGFKGATMYMQGSAHSGRSFETGKAFDDGRVSDFDIA-VVQPELFEKAKKMGIAKGNR-TLP-------IEINSVEA-NKLGINGV--L-QKMSKLAGGRD------VNVMIFDSPESAKAKAEGTRIPANCM 3KDR Chain:A ((7-297)) AVTTRAEALTIPAVLRARNLLSTTVARTPLVCDGTLPPFVPVAAPPGAATMQTPFHRML----ATADDLLFN---------------GVACWALDRDESG--TCIGAIHIPLDTWQIEENTVRVNGKAVD--------------PMEVCIFV-----GIHGG--LLTHASETFTDARNLVRAAARVAQNPAALIELRQTNNA------QLSPDDVDRIINGYVAARRGRNSGVGFSSSGLEVHEHEMAKENLLIEGRNAAAVDVARAMNVPAAFIDATVGQNAASRMIELVTFGVEPLMSAIEARLNQPDMHADHLANPLKFDPAALLDAIPT---------

General information: TITO was launched using: RESULT: Template: 3KDR.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 : 829 34367 41.46 143.79 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 41.46 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.068

(partial model without unconserved sides chains): PDB file : Tito_3KDR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KDR-query.scw PDB file : Tito_Scwrl_3KDR.pdb: