Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------------------------------------------MSVDKKAAMKRIAELTKSESWQEDKEIVAEVQKLGKSMWTEKPKRRTPRKIAIWHDDRILVTGTAEQLSEITGL---SKNIIWDRARSLWIDSK-----GRQFRYVEER--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 5UBP Chain:A ((11-479)) PDKKKKYMINDAKTIQLVGPLISSPDNLGFQKRSHKARELPRFLINQEPQLEKRAFVQDPWDKANQEKMISLEESIDDLNELYETLKKMRNTERSIMEEKGLVDKADSAKDLYDAIVFQGTCLDMCPTFERSRRNVEYTVYSYEKNQPNDKKASRTKALKV-FARPAAAAAPPLPSDVRPPHILVKTLDYIVDNLLTTLPESEGFLWDRMRSIRQDFTYQNYSGPEAVDCNERIVRIHLLILHIMVKSNVEFSLQQELEQLHKSLITLSEIYDDVRSSGGTCPNEAEFRAYALLSKIRDPQYDENIQRLPKHIFQDKLVQMALCFRRVISNSAYTERGFVKTENCLNFYARFFQLMQSPSLPLLMGFFLQMHLTDIRFYALRALSHTLNKKHKPIPFIYLENMLLFNNRQEIIEFCNYYSIEIINGDAADLKTLQHYSHKLSETQPLKKTYLTCLERRLQKTTYKGLING

General information: TITO was launched using: RESULT: Template: 5UBP.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 : 112 13505 120.58 135.05 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 120.58 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.112

(partial model without unconserved sides chains): PDB file : Tito_5UBP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5UBP-query.scw PDB file : Tito_Scwrl_5UBP.pdb: