Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MAKPELIELATSCFGLTVDEQLPIGESFASEVLRFRSGRQCYVLKR-PFSLEKAEREYFWLKRLSHCP-FVPDALE------ITKANDHGLILMTSLEGMPLKSFHQLSHRDLSKLG-HDLRALHTVSAD--------SFDGHKSWRELLLSNTDR-YID----------KIIGPARKTAEMAYARFHEGIDEIPDSYLPTA----------THFDFRDGNILADESGYTGIIDFESMRGGHASMDFFK-LLTH--PSDMNDIELTAL-LAGYGSADWLESMAQLK-HLV-ACYAVYHGLAGLAWCSQREQTSTEFYQRCAGFLEQGR------ 2Q83 Chain:A ((11-346)) LSAEDAKKLTELAENVLQGWDVQAEKIDVIQALVWKVHTDSGAVCLKRIHRPEKKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKHGSFLFVVYDWIEGRPFEL----TVKQDLEFIMKGLADFHTASVGYQPPNGVPIFTKLGRWPNHYTKRCKQMETWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQKQVMFIDMLFPYELYDVIREKYVRKSALPKEELESAFEYERIKANALRQLI

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 : 1090 -3761 -3.45 -13.43 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -3.45 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.420

(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: