Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MASDRQDLSDRIARAIGHGVRRLSPLSGGCVGDVLRAELEDGAAPVVVKVADDAGGGLDIEGWMLRYLADTSRLPVPGVLHAEA----------GLLVMEEIQAGGGG-ISASCQEHAADLLADLHSVTWDAFGLERDTLIGGLHQPNPREASWRTFFRDHRLLYMADESH--RAGRLP----A---DVRRKVDTLAGRLDD-----W-IEEPDAPALIHGDMWTGNVLCDGGRIAGFIDPA-IYYGDAEIELAFSTLFG---------TFGEPFFRRYQEKRPLRPGFFEARRDLYNLYPLLVHVRLFGGSYVGSVSRTLDRFVG 2Q83 Chain:A ((22-294)) -------LAENVLQGWDVQAEKIDVIQ----ALVWKVHTDSG--AVCLKRIHRPEKKALFSIFAQDYLAKK-GMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQPPNG---VPIFTKLGRWPNHYTKRCKQ--METWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEE--------------------------------------

General information: TITO was launched using: RESULT: Template: 2Q83.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 : 918 -22356 -24.35 -95.95 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -24.35 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_2Q83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2q83-query.scw PDB file : Tito_Scwrl_2Q83.pdb: