Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTDLTFIHAADLHLDSPFYGISHLPEPIFARIKESTFASVRHMIDAAVREHVDFILLAGDLFDEANRSLKAQLFLKKQFERLRECGISVYVIFGNHD--HLGGEWTPIEWPEN-VHIFSSA----VPEEKSFFKEGRRIASIYGFSYQARALM-------ENQAARYRRSTDAPFHIGMLHGTLSGSEGHDPYCPFT----HDDLVKSGMDYWALGHIHKRQVLSAEHPAVIYPGNTQARHIKETGD-----KGYYLVHVTNGDISYEFQRAHDV-LWEKAAVDVTEAKNMTALFQMVEDTFSKLRKKGSPVCVRLVLQGTAPEWLLEAPKGTLDEFLEALQEQEAEEERFVWPLRLDDETENEANLTNLDPFFGGLFEDIDRSDLSDVLEGLERHPVYRRHADRFSQEEVKEIKEQAQIILKRQLKVLDT 3AUZ Chain:A ((21-295)) ----MMFVHIADNHLGYRQYNLDDREKDIYD--------SFKLCIKKILEIKPDVVLHSGDLFNDLRPPVKALRIAMQAFKKLHENNIKVYIVAGNHEMPRRLGEESPLALLKDYVKILDGKDVINVNGEEIF------ICGTYYHKKSKREEMLDKLKNFESEAKNYKKK------ILMLH------QGINPYIPLDYELEHFDLPK--FSYYALGHIHKRILERFNDGILAYSGSTEIIYRNEYEDYKKEGKGFYLVDFSGNDLDISDIEKIDIECREFVEVNIKDKKSFNEAVNKIE------RCKNKPV-----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3AUZ.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 : 1257 -157741 -125.49 -628.45 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -125.49 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_3AUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AUZ-query.scw PDB file : Tito_Scwrl_3AUZ.pdb: