Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQILGGNNMAFPQLDLKSEKGPKAVIKTNRGDITVQLFPELAPKTVQNFIELSKKGYYDGVIFHRVIPDFMIQGGDPTGTGMGGESIYGESFEDEFSRELFNLRG-ALSMANSGPNTNGSQFFIVNNTNVPANMLGQLEGAGFPSEIIEAYKGGGTPWLDFRHTVFGHVLEGMDTVDEIANVQRGPQ-DRPVHDVVIETIEISE 2A2N Chain:C ((12-175)) -----------TQAEGPKRVSDSAIIHTSMGDIHTKLFPVECPKTVENFCVHSRNGYYNGHTFHRIIKGFMIQTGDPTGTGMGGESIWGGEFEDEFHSTLRHDRPYTLSMANAGSNTNGSQFFI---TVVP------------------------TPWLDNKHTVFGRVTKGMEVVQRISNVKVNPKTDKPYEDVSIINITV--

General information: TITO was launched using: RESULT: Template: 2A2N.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 844 -31193 -36.96 -192.55 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : -36.96 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.630

(partial model without unconserved sides chains): PDB file : Tito_2A2N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A2N-query.scw PDB file : Tito_Scwrl_2A2N.pdb: