Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQVQADRMILEDLLVSIQRDLGLVVHEAISIRRGWLNLKWKLETDQGTYLLKQYNRERFKLYDEEVLLMAFSQQIRLRRRGVKCPKLLTNEGRYFLKSDQGERFMVMEFCEGQLVAPGGTNADQMRALGREVALMHRVLNDGSLGVKDKPQFVP-----PSRM---ERLDYWKRVMEQAAE-SE----IPEVLTALETQYTATERFRD-------ELNPMQPGWAHRDVWVDNLLFRPAGVAAILDFDRLNYDYPQLDIARAVLSCALHS-ELDVVLVSAFMEGYREEREVPKGYLVQGIRWLWYMESVWWVNANILEHQGPPARFAWEMDWLAKHLDMLPELLEQV 2Q83 Chain:A ((18-309)) ---------KLTELAENVLQGWDVQAEKIDVIQ----ALVWKVHTDSGAVCLKRIHRPE------KKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFEL--TVKQDLEFIMKGLADFHTASVGYQPPNGV-PIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFIDMLFPYEL--------------------------------------

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 : 1052 -72262 -68.69 -270.64 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -68.69 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.365

(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: