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 4G74 Chain:A ((44-448)) ---NVLILGSGWG----AISFLKHIDTKKYNVSIISPRSYFLFTPLLPSAPVGTVDEKSIIEPIVNFALKKKGNVTYYEAEATSINPDRNTVTIKSLSAVSQLYQPENHLGLHQAEPAEIKYDYLISAVGAEPNTFGIPGVTDYGHFLKEIPNSLEIRRTFAANLEKANLLPKGDPERRRLLSIVVVGGGPTGVEAAGELQDYVHQDLRKFLPALAEEVQIHLVEALPIVLNMFEKKLSSYAQSHLENTSIKVHLRTAVAKVEEKQLLAKTKHEDGKITEETIPYGTLIWATGNKARPVITDLFKKIPEQNSSKRGLA-VNDFLQVKGSNNIFAIGDNA-FAG-----LPPTAQVAHQEAEYLAKNFDKMAQIPNFQDKIDLLFEENNFKPFKYNDLGALAYLGSERAIATI-----------------------------------

General information: TITO was launched using: RESULT: Template: 4G74.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 : 1880 -222333 -118.26 -648.20 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -118.26 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.505

(partial model without unconserved sides chains): PDB file : Tito_4G74.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G74-query.scw PDB file : Tito_Scwrl_4G74.pdb: