Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIAIYVRVSTEEQAIKGSSIDSQIEACIKKAGTKDVLKYADEGFSGELLERPALNRLREDASKGLISQVICYDPDRLSRKLMNQLIIDDELRKRNIPLIFVNG-E--------YANSPEGQLFFAMRGAISEFEKAKIKERTSSGRLQKMKKGMIIKDSKLYGYKFVKEKRTLEILEEEAKIIRMIFNYFTDHKSPFFGRVNGIALHLTQMGVKTKKGAKVWHRQVVRQILMNSSYKGEHRQYKYDTEGSYVSKQAGNKSIIKIRPEEEQITVTIPAIVPAEQWDYAQELLGQSKRKHLSISPHNYLLSGLVRCGKCGNTMTGKKRKSHGKDYYVYTCRKNYSGAKDRGCGKEMSENKLNRHVWGEIFKFITNPQKYVSFKEAEQSNHLSDELELIEKEIEKTKKGRKRLLTLISLSDDDDLDIDEIKAQIIELQKKQNQLTEKCNEIQSKMKVLDDTSSSENALKRAIDYFQSIGADNLTLEDKKTIVNFIVKEVTIVDSDTIYIETY 2R0Q Chain:C ((1-200)) MIIGYARVSSLDQ-----NLERQLENLKTFGAE---KIFTE-K------NRPILQKALNFVRMG--DRFIVESIDRLGRNYNEVIHTVNYLKDKEVQLMITSLPMMNEVIGNPLLDKFMKDLIIQILAMVSEQERNESKRRQAQGIQVAKEKGVYK-G-RPLLYSPN------AKDPQKRVIYHRVVEMLEE-----GQAISKIAKEVN------------ITRQTVYRIKHDNG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2R0Q.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 582 -27024 -46.43 -146.87 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain C : 0.61 3D Compatibility (PKB) : -46.43 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.379

(partial model without unconserved sides chains): PDB file : Tito_2R0Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R0Q-query.scw PDB file : Tito_Scwrl_2R0Q.pdb: