Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALVKTKLAAAPQPSRTPTPGSSPKEWTPPTHTHESPEHLSTDEPDVLVPAHKYVYDVKTCAWKGVDTMLRVLHPNRGLSQGTMRVCFALEELDETGFSSRMVAKMFRHNISKVVESD-YFNEGEAQCICGIFAEKFNRVQVPAGFQRHIVSFLQCETVRIKLSEVPEAYQHKRSGFFSYRTTDSADILFTMEPRLAGNFTKYTNNFGDVYDGFERRQSLEEEKKRHRVLMAVEAFSHFTLVESGGSMLVCDLQGVNDFLTDPQIHTEDGKGLGMGNMGQDGIRKWMEAHVCNEVCRAIMLEPLSKGLRNFTRTAENESRVSYYQILRAKLRSQTPVRPEDIIPLSKPLSLMSDDERLEYAMRLSALLSE 3LMI Chain:A ((97-272)) ------------------------------------------------------------------------------------------EAMTQLKNGTKFVLKLYKK----QASRELYFEDVKMQMVCRDWGNKFNQKKPPKK-----IEFLMSWVVEL-IDRSP--------------S-NGQPILCSIEPLLVGEFKKNNSNYGAVLTNRSTPQ----------------AFSHFTYELSNKQMIVVDIQGVDDLYTAPQIHTPDGKGFGLGNLGKAGINKFITTHKCNAVCALLDLD--------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3LMI.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 : 757 -3241 -4.28 -19.06 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -4.28 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_3LMI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LMI-query.scw PDB file : Tito_Scwrl_3LMI.pdb: