Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTERKEDLHQQLKEIEKWEKDQQKVWFWEKLSRLPFQLLDKLTPEFIQKKIGKLLDEVGSFVQTGGQYLTS--EKQIIRMFQKKLPEEIFESLED--IRKAPLPVMDEIAEGMGKNR------------TNAATVQGATTGVGGVFTLAADIPAVLGLSLKTLQDIAVAYGYDPKEKKERVFIVKCLQLTSADVVGKRSILQELKHYDQDRTYKNVASQIQGWREVVLGYR----DTFGWKKLFQIVPVAG-----MVFGAAANRSTLNDITETGMMLYKKRRILERLKETEREME 1DBT Chain:A ((1-237)) ------------------------------MKNNLPIIALDFASAEETLAFLAPFQQEP-LFVKVGMELFYQEGP-SIVKQLKER----NCELFLDLKLHDIPTTVNKAMK----RLASLGVDLVNVHAAGGKKMMQAALEGLEEGTPAGKKRPSLIAVTQLTSTSEQIMKDELLIEKSLIDTVVHYSKQAEE--SGLDGVVCSVHEAKAIYQAVS-----PSFLTVTPGIRMSEDAANDQVRVATPAIAREKGSSAIVVGRSITKAE-DPVKAYKAVRLEWEGI------------

General information: TITO was launched using: RESULT: Template: 1DBT.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 : 974 -66741 -68.52 -314.82 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -68.52 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.207

(partial model without unconserved sides chains): PDB file : Tito_1DBT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DBT-query.scw PDB file : Tito_Scwrl_1DBT.pdb: