Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEIKLEHVSKKYG-RHTAVNDVSITLSSGRIYGLIGPNGSGKSTTLKMMAGLLFPTSGFVKVDEEQVTR--EMVRQTAYLTELDMFYPHFTVKDMVNFYQSQFPD---FHTEQVYKLLNEMQLN--PEKKIKKLSKGNRGRLKIVLALARRADVILLDEPFSGLDPMVRDSIVNSLVSYIDFEQQIVVIATHEIDEIETLLDEVIILANGEKVAQREVEDIREQEGMSVLQWFKSKMEVC 1Z47 Chain:A ((13-238)) MTIEFVGVEKIYPGGARSVRGVSFQIREGEMVGLLGPSGSGKTTILRLIAGLERPTKGDVWIGGKRVTDLPPQKRNVGLVFQNYALFQHMTVYDNVSFGLREKRVPKDEMDARVRELLRFMRLESYANRFPHELSGGQQQRVALARALAPRPQVLLFDEPFAAIDTQIRRELRTFVRQVHDEMGVTSVFVTHDQEEALEVADRVLVLHEGNVEQFGTPEEVYEKPG--------------

General information: TITO was launched using: RESULT: Template: 1Z47.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 : 1143 -128384 -112.32 -588.92 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -112.32 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_1Z47.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Z47-query.scw PDB file : Tito_Scwrl_1Z47.pdb: