Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------MDIIRKISHFAGQTFGIWVIVFAVLGFSFPSLFTWISSYITIFLGIIMFGMGLTLQADDFKELVRKPWQVIIGVIAQYTIMPLVAFGLAFGLHLPAEIAVGVILVGCCPGGTASNVMTFLAKGNTALSVAVTTISTLLAPVVTPLLIMLFAKEWLPVSPGSLFISILQAVLFPIIAGLIV------KMFFRKQVAKAVHALPL-------VSVIGIVAIVSAVVSGNRENLLQSGLLIF-----------SVVILHNGIGYLLGFLCAKLLK------MDYPSQKAIAIEVGMQNSGLG----AALATAHFSPLSAVPSAIFSVWHNLSGSM-------------LATYWSKKVKKKQAGSKSSNLSL 3BG1 Chain:B ((130-552)) DEIDNAKLIMKERRFTASYTFAKFSTGSMLLTKDIVGKSGVSIKRLPTELQRKFLFDDVYLDKEIEKVTIEARKSNPYPQISESSLLFKDALDYMEKTSSDYNLWKLSSILFDPVSYPYKTDNDQVKMALLKKERHCRLTSWIVSQI--GPEIEEKIRNSSNEIEQIFLYLLLNDVVRASKLAIESKNGHLSVLISYLGS-----NDPRIRDLAELQLQKWSTGGCSIDKNISKIYKLLSGSPFEGLFSLKELESEFSWLCLLNLTLCYGQIDEYSLESLVQSHLDKFSLPYDDPIGVIFQLYAANENTEKLYKEVRQRTNALDVQFCWYLIQTLRFNGTRVFSKETSDEATFAFAAQLEFAQLHGHSLFVSCFLNDDKAAEDTIKRLVMREITLLRASTNDHILNRLKIPSQLIFNAQALKDRYEGNYL--

General information: TITO was launched using: RESULT: Template: 3BG1.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 : 999 -69767 -69.84 -223.61 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -69.84 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.134

(partial model without unconserved sides chains): PDB file : Tito_3BG1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BG1-query.scw PDB file : Tito_Scwrl_3BG1.pdb: