Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASNAAANGSFGSSANAVQLVSTQRGRKVYCVRGQSFDIDDNYTVTSVIGHGAYGVVCAALDDRTFQEVAIKRVSRVFEDLIDGRRIWREILLLRILKECGCRNVLRLIRVLPPRDPIMEFRDLYLVTDLYDIDLFSIIRQNKCESIDLLRRISVRVLRCLADMHSMGIVHRDIKPSNILLRDEKNAEEAIVCDFGLARAGLHRLSEPLDLTDYVVTRWYRPPELLLM-CPYSYPIDIWAVGCVMAEYAMQRPLFAGRDYIHQLQFVLSSIPITGVDFIERSSSSSGLANMNEIAKK-YKGTRPLPQLLSKLPKDGLELVTEMLAFEPNKRITAQEALKHPFFSSVGGPDCKSYPAPPELDLGFDMHA-EVSECQLRRAIWDELQYYRK 4XNE Chain:A ((6-345)) ---------------------------------GQVFDVGPRYTNLSYIGEGAYGMVCSAYDNLNKVRVAIKKISPFEHQ-TYCQRTLREIKIL---LRFRHENIIGINDIIRAPTI-EQMKDVYIVQDLMETDLYKLLKTQ-HLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCD---LKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINL---KARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAE---APFKFDMELDDLPKEKLKELIFEETARFQ-

General information: TITO was launched using: RESULT: Template: 4XNE.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 : 1650 -133235 -80.75 -395.36 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -80.75 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.510

(partial model without unconserved sides chains): PDB file : Tito_4XNE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XNE-query.scw PDB file : Tito_Scwrl_4XNE.pdb: