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 4G6G Chain:A ((44-448)) ---NVLILGSGWG----AISFLKHIDTKKYNVSIISPRSYFLFTPLLPSAPVGTVDEKSIIEPIVNFALKKKGNVTYYEAEATSINPDRNTVTIKSLSAVSQLYQPENHLGLHQAEPAEIKYDYLISAVGAEPNTFGIPGVTDYGHFLKEIPNSLEIRRTFAANLEKANLLPKGDPERRRLLSIVVVGGGPTGVEAAGELQDYVHQDLRKFLPALAEEVQIHLVEALPIVLNMFEKKLSSYAQSHLENTSIKVHLRTAVAKVEEKQLLAKTKHEDGKITEETIPYGTLIWATGNKARPVITDLFKKIPEQNSSKRGLA-VNDFLQVKGSNNIFAIGDNA-FAG-----LPPTAQVAHQEAEYLAKNFDKMAQIPNFQKIDLLFEENNFKPFKYNDLGALAYLGSERAIATI-----------------------------------

General information: TITO was launched using: RESULT: Template: 4G6G.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 : 1877 -225522 -120.15 -657.50 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -120.15 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_4G6G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G6G-query.scw PDB file : Tito_Scwrl_4G6G.pdb: