Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAPTEEMISVQKLVERLNAEYAFEVDYIGADLGGFSSQNNQLTLKDKRRMVLKRCDQSQWDP-RNVDIATILAHHSSLIYAPLATVGGSSTFKFDGWVYAVFPYVDGEKLHQHSLDAETLKSAARALYAFHHIAHFAGSHAAQ-----RPNVSDF-----EREVTSVLEP-TLSLSTDHADIIIRSIEAKRHILHSFSSDLS--------SINVGASSVIHGDFHNENILYRSDHVVAILDFEMLHWGNVEDDIISFIALGCCNNGFSEENLRMANIFVKEYLSLHGENLDLHTALLRFIHLKSSSLFLQKMLIYTGNMLYAQIIERDNKLFPSIMKKHREISKTLSSL 2Q83 Chain:A ((18-321)) ---------KLTELAENVLQGWDVQAEKIDVIQ----ALVWKVHTDSG-AVCLKRIHRPEKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFEL--TVKQDLEFIMKGLADFHTASVG-YQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTG--VWDDETFNVMLNAYESRAPLTEEQKQVMFIDML-FPYELYDVIREKYVRKS------------------------------

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 : 1146 -44639 -38.95 -159.43 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -38.95 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.394

(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: