Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTDLTFIHAADLHLDSPFYGISHLPEPIFARIKESTFASVRHMIDAAVREHVDFILLAGDLFDEANR-SLKAQLFLKKQFERLRECGISVYVIFGNHDHLGGEWTPIEWPEN-VHIFSSAVPEEKSF------FKEGRRIASIYGFSY--QARALMENQA-------ARYRRSTDAP-----FHIGMLHGTLSGSEGHDPYCP---FTHDDLVKSGMDYWALGHIHK-RQVLSAEHPAVIYPGNTQARHIKETGD-KGYYLVHVTNGDISYEFQRAHDVLWEKAAVDVTEAKNMTALFQMVEDTFSKLRKKGSPVCVRLVLQGTAPEWLLEAPKGTLDEFLEALQEQEAEEERFVWPLRLDDETENEANLTNLDPFFGGLFEDIDRSDLSDVLEGLERHPVYRRHADRFSQEEVKEIKEQAQIILKRQLKVLDT 3THO Chain:B ((1-252)) ----MKILHTSDWHLGVTSWTSSR---PVDRR--EELKKALDKVVEEAEKREVDLILLTGDLLHSRNNPSVVALHDLLDYLKRMMRTA-PVVVLPGNQD-----WKGLKLFGNFVTSISSDITFVMSFEPVDVEAKRGQKV-RILPFPYPDES----KNEGDFRFFLESRLNKLYEEALKKEDFAIFMGHFTVEGLAG------REIIINRALIPSVVDYAALGHIHSFREI--QKQPLTIYPGSLIRIDFGEEADEKGAVFVELKRGE----------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3THO.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 : 1100 -145701 -132.46 -680.85 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -132.46 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.417

(partial model without unconserved sides chains): PDB file : Tito_3THO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3THO-query.scw PDB file : Tito_Scwrl_3THO.pdb: