Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKHIVILGAGYGGVLSALTVRKHYTKEQARVTVVNKYPTHQIITELHRLAAGNVSEKAVAMPLEK--LFKGKDIDLKIAEVSSFSVDKKEVAL--------------------ADGSTLTYDALVVGLGSVTAYFGIPGLEENSMVLK---SAADANKVFQHVEDRVREYSKTKNEADA--TILIGGGGLTGVELVGELAD-IMPNLAKKYGVDHKEIKLKLVEAGPKILPVLPDDLIERATASLEKRGVEFLTGLPVTNVEGNVIDLK----DG----SKVVANTFVWTGGVQGNPLVGESGLEV------NRGRATVNDFLQSTSHEDVFVAGDSAVYFGPDGRPYPPTAQIAWQMGELIGYNLFAY------------LEGKTLETFKPVNSGTLASLGRKDAVAIIGANSTPLKGLPASLMKEASNVRYLTHIKGLFSLAY 4GAV Chain:A ((13-417)) ---NVLILGSGWG----AISFLKHIDTKKYNVSIISPRSYFLFTPLLPSAPVGTVDEKSIIEPIVNFALKKKGNVTYYEAEATSINPDRNTVTIKSLSAVSQLYQPENHLGLHQAEPAEIKYDYLISAVGAEPNTFGIPGVTDYGHFLKEIPNSLEIRRTFAANLEKANLLPKGDPERRRLLSIVVVGGGPTGVEAAGELQDYVHQDLRKFLPALAEEVQIHLVEALPIVLNMFEKKLSSYAQSHLENTSIKVHLRTAVAKVEEKQLLAKTKHEDGKITEETIPYGTLIWATGNKARPVITDLFKKIPEQNSSKRGLA-VNDFLQVKGSNNIFAIGDNA-FAG-----LPPTAQVAHQEAEYLAKNFDKMAQIPNFQKIDLLFEENNFKPFKYNDLGALAYLGSERAIATI-----------------------------------

General information: TITO was launched using: RESULT: Template: 4GAV.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 : 1810 -221527 -122.39 -645.85 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -122.39 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_4GAV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GAV-query.scw PDB file : Tito_Scwrl_4GAV.pdb: