Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQILGGNNMAFPQLDLKSEKGPKAVIKTNRGDITVQLFPELAPKTVQNFIELS--KKGY-YDGVIFHRVIPDFMIQGGDPT-GTGMGGESIYGESFEDEFSRELFNLRGALSMANSGPNTNGSQFFIVNNTNVPANMLGQLEGAGFPSEIIEAYKGGGTPWLDFRHTVFGHVLEGMDTVDEIANVQRGPQDRPVHDVVIETIEISE 5NOS Chain:A ((18-142)) ------------------------------GRVSFELFADKVPKTAENFRALSTGEKGFGYKGSCFHRIIPGFMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAK---------------------------TEWLDGKHVVFGKVKEGMNIVEAM------------------------

General information: TITO was launched using: RESULT: Template: 5NOS.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 : 591 12989 21.98 107.35 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 21.98 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_5NOS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NOS-query.scw PDB file : Tito_Scwrl_5NOS.pdb: