Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFNHVYFGYDENRPVLKDITCSIFKGQKIAFVGPSGSGKSTIVRLLEQFYKPLSGDILMEQSSIYDFNLKEWRSKIAWVSQNNAVLSGSIRDNLCLGLNRLVT-DDELMKVLDLVSLGDEIRSMKEGLDTEVGERGRLLSGGAKPKTSNS 3NHB Chain:A ((54-200)) IEFENVHFSYAD-RETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLFNDTIADNIRYG--RVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVA--

General information: TITO was launched using: RESULT: Template: 3NHB.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 : 512 -39823 -77.78 -274.64 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -77.78 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.416

(partial model without unconserved sides chains): PDB file : Tito_3NHB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NHB-query.scw PDB file : Tito_Scwrl_3NHB.pdb: