Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQILGGNNMAFPQLDLKSEKGPKAVIKTNRGDITVQLFPELAPKTVQNFIELS--KKGY-YDGVIFHRVIPDFMIQGGDPTG-TGMGGESIYGESFEDEFSRELFNLR----GALSMANSGPNTNGSQFFIVNNTNVPANMLGQLEGAGFPSEIIEAYKGGGTPWLDFRHTVFGHVLEGMDTVDEIANVQRGPQDRPVHDVVIETIEISE 3RDA Chain:X ((19-143)) ------------------------------GRVVLELKADVVPKTAENFRALCTGEKGFGYKGSTFHRVIPSFMCQAGDFTNHNGTGGKSIYGSRFPDE----NFTLKHVGPGVLSMANAGPNTNGSQFFICTIK---------------------------TDWLDGKHVVFGHVIEGMDVVKKI------------------------

General information: TITO was launched using: RESULT: Template: 3RDA.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 566 24261 42.86 207.35 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain X : 0.72 3D Compatibility (PKB) : 42.86 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_3RDA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RDA-query.scw PDB file : Tito_Scwrl_3RDA.pdb: