Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFQIGDNIVYPMHGAGIIEAIEEKEFLEEKQQYYVIRMSISNMTVMIPTSKILSSNIRPVTDILALKHIMHIFQHGESDRLLPWKQRYKINTDKIKTGEIQEGAEVVRDLMRMKKEKALNASEKKMLDNAYEFLISELEVIKGITEKQIKSFG 4KMC Chain:A ((85-153)) -----------------------------------------------------------------------------------WSRRYKANLEKLASGDVNKVAEVVRDLWRRDQERGLSAGEKRMLAKARQILVGELALAESTDDAKAETI-

General information: TITO was launched using: RESULT: Template: 4KMC.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 : 141 -8808 -62.47 -127.65 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -62.47 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.675

(partial model without unconserved sides chains): PDB file : Tito_4KMC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KMC-query.scw PDB file : Tito_Scwrl_4KMC.pdb: