Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARLEQLGYHARAARRGSEIDAEAATAIVRRHLGHLGDGLTVIRQRKLYGGSINRVIEWTVRDATGRDRPLVAKVNNLRSAKLFRREMASLEVYRTQTDLPVPRPLAYLEDEPEFDGSGLLMQRIDGVNLSEAKVTPAGMRLLQRDLAGHVVALHSHHRSAYGTALEPTGPRRWLDSFGPVIGEEFFRVRDAIPSATREVI------DDIVKNLEVWLPEQST---PTLVHGDLWSNNILVDDRHPDRPEILAFIDVSASYC-DPEYELAYLRMFQTADDSFFERYR--------RRHPLRSGFSRRCR-----------VYWLNTMMMHVRVFGDRYLPQLEDIVRQIRTLG-------------- 3ATS Chain:A ((1-357)) -TLPAVISRWLSSVLPG---GAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPA------AEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLTDTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRD-----FQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVELGDLHWFYVYSGVMWACVFMRTGARRVHFGEIEKPDDVESLFYHAGLMKHLLGEEH

General information: TITO was launched using: RESULT: Template: 3ATS.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 : 1466 -91665 -62.53 -296.65 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -62.53 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.251

(partial model without unconserved sides chains): PDB file : Tito_3ATS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ats-query.scw PDB file : Tito_Scwrl_3ATS.pdb: