Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSAIVNDTSVIREFLITTFPNIILSL---VMVLGSIVVLFSLDWNLSLLLFITLPCMMFIILPLSNISEKYSRRLQEEIGFLTGQLTEKIQEHELIKTNQAEKSVQDVLDNCIERVQNNSLKSDRVTS-FETSFALLFIFAAIAVMLTYGGYRVSAGYISVGTLVSFLIYLFQLLNPISNIANFVTVYSRSKGSSVALENLLAVPKEKFE 5MKK Chain:B ((123-304)) ------TDLSAVREMV---GPGILMGSRLSFLVLLAFLSMYAVNARLAFYLTLILPGIFLAMRFLLRLIDRRYREAQEVFDRISTLAQEAFSGIRVVKGYALERRMVAWFQDLNRLYVEKSLALARVEGPLHALLGFLMGFAFLTVLWA-GGAMVVRGELSVGELVQFNAYLAQLTWPILGLGWVMALYQRG-------------------

General information: TITO was launched using: RESULT: Template: 5MKK.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 : 447 -69462 -155.40 -390.24 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -155.40 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_5MKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MKK-query.scw PDB file : Tito_Scwrl_5MKK.pdb: