Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKYFAEFLGTFWLVFGGCGSAVLAAAFPELGIGFAGVALAFGLTVLTGAYALGHISGGHFNPAVSVGLWVGGRFDVKDLIPYIVAQVVGATAAAFVLYIIAQGQAGF-SGVGGFAANGFGDLSPNKFGLGSAFIIEVVLTAFFLIIILGATDRRAPAGFAPIAIGLGLTLIHLISIPVTNTSVNPARSTGVAFFAETAALSQLWLFWVAPILGAVIGAIIYKVVAGDKD 3NKA Chain:B ((6-234)) -RKLAAECFGTFWLVFGGCGSAVLAAGFPELGIGFAGVALAFGLTVLTMAFAVGHISGGHFNPAVTIGLWAGGRFPAKEVVGYVIAQVVGGIVAAALLYLIASGKTGFDAAASGFASNGYGEHSPGGYSMLSALVVELVLSAGFLLVIHGATDKFAPAGFAPIAIGLALTLIGLISIPVTNFSVNPARSTAVAIFQGGWALEQLWFFWVVPIVGGIIGGLIYRTLLEKRD

General information: TITO was launched using: RESULT: Template: 3NKA.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 : 1259 -146727 -116.54 -643.54 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.93 3D Compatibility (PKB) : -116.54 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.93 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_3NKA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NKA-query.scw PDB file : Tito_Scwrl_3NKA.pdb: