Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMRRLSTQDQNFKQVFAELLAFETVNDPNLVQTVDQIIADVRQHGDDHVLKLTQQFDRHPAHQFSDLELSQQQLKAAFDGLNQEIREALQLAADRIRTFHEAQKQDSWTYVDDLGNTLGQKVTPLDRVGIYVPGGLASYPSSVLMNAVPAHVAGVPEIIMVVPAPNGELNPLVL-----AAAYLAGVSRV-FTIGGAQAVAALAYGTQTVPRVDKITGPGNRFVAA-AKRAVFG-QLGIDMIAGPSEILVYAEGVNNAEWLAMDVLSQAEH---DTVAQ-AIFITPDG--A-LLEAVESAI-EKHLNEL-----------PKAEIA-RTSIENRGALVLVKDRAEAVDLINQVAPEH-LELCLDDAE---AMSQDIRHAGAIFMGRYTPEAIGDYCAGPNHVLPTSGT--ARF--SSPLGVYDFQKRSSLIMCSKDGVKTLAKTADVLAVQENLDAHARSARYRYQ 2H5G Chain:B ((131-434)) ------------------------------------------------------------------------------------------------------------------NLELEQVTVPIGVLLVIFESR--PDCLP--QVAALAIASGNGLLLKGGKEAA--HSNRILHLLTQEALSIHGVKEAVQLVNTREEVE-------LDKMIDLIIPRGSSQLVRDIQKAAKGIPVM-GHSEGICH--MYVDSEASVDKVTRLVRDSKCEYPAACNALETLLIHRDLLRTPLFDQIIDMLRVEQVKIHAGPKFASYLTF--VKSLRTEYGDLELCIEVVDNVQDAIDHIHKYGSSHTDVIVTEDENTAEFFLQHV-DSACVFWNASTRFSDGY----RFGLGAEVGISTSRIHARGPVGLEGLLTTKWLLRG---------------------------------

General information: TITO was launched using: RESULT: Template: 2H5G.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1267 -21162 -16.70 -81.39 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -16.70 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.240

(partial model without unconserved sides chains): PDB file : Tito_2H5G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2H5G-query.scw PDB file : Tito_Scwrl_2H5G.pdb: