Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------------------------------------------------------MLKINDFPHDNNFWKVEWIGGVYNDIDGEPRIRIYLAQIKSNIERQKTLYNSSLEVRN----QQNISSVHDVKIGLIQ--------FIPIGSVWKNGILDQSFTAQYEQFNFNSD---TPSEVCFQSQYGGIAETGLNNTTEWNNHLNDFH-------YRIVN----SEARALGNYINVFYDYNGLSRIYIPSIV-------ILQACYITSPKSARH--IIFGQINKLL--DPETSGFIDKETFRIHLHRDYKDIEAPMIANLATNFNAKMGLRTLRQ---SLVKESNIT---------------SISTPKRLKISFPFSNDFSIKVKGKYIMEN---NKIYGFFVTQIIEFSTKFDFTKLVIFRKNSNQKGKEKAENLQNAYEGCNAVR---PSHSESLDDKDESQPLIFTHDQ-----VSNQNLPQSIDFPLCSN---ISNLEVLKE------DKDIQYY------QNASYTNLNLRPSNTTSTG------PAISSNNGVSEL--QIEPSLPV-----------------------DLEYFFDVLEILNK-LGYQFKSIAVNNSRDHPRGIINQFNRFIKNLHKWHLQDDDQTPRPFIVAEMIYKGAFYYLLDIAPRKGAALSAQLIRAYTGEQITPTAFAILLNDVART-SPKGWSVLDHAKYSQKWQHFRIEHNRNNKPELVAKN---------IIKKLG 3UGM Chain:A ((169-1048)) KPKVRELVAHIVALSQHPAALGTVAVTYQHIITALATHEDIVGVGKQWSGARALEALLTDAGELRGPPLQLDTGQLVKIAKRGGVTAMEAVHASRNALTPLNLTPAQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPAQVVAIASHDGGKQALETMQRLLPVLCQAHGLPPDQVVAIASNIGGKQALETVQRLLPVLCQAHGLTPDQVVAIASHGGGKQALETVQRLLPVLCQAHGLTPDQVVAIAS--HDGGKQALETVQRLLPVLCQAHGLTPDQVVAIASNGG-GKQALETVQRLLPVLCQAHGLTPDQVVAIASNGGKQALETVQRLLPVLCQAHGLTPDQVVAIASHDGGKQALETVQRLLPVLCQTHGLTPAQVVAIASHDGGKQALETVQQLLPVLCQAH-GLTPDQVVAIASNIGGKQALATVQRLLPVLCQAHGLTPDQVVAIASNGGGKQALETVQRLLPVLCQAHGLT-PDQVVAIASNGGGKQALETVQRLLPVLCQAHGLTQVQVVAIASNIGGKQALETVQRLLPVLCQAHGLTPAQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPDQVVAIASNGGGKQALETVQRLLPGLTQEQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPDQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPAQVVAIASNIGGKQALETVQRLLPVLCQDHGLTLAQVVAIASNIGGKQALETVQRLLPVLCQGLTQDQVVAIASNIGGKQALETVQRLLPVLCQDHG--LTPDQVVAIASNIGGKQALETVQRLLPVLCQDHGLTLDQVVAIASNGGKQALETVQRLLPVLCQDHGLTPDQVVAIASNSG

General information: TITO was launched using: RESULT: Template: 3UGM.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 : 2969 8176 2.75 14.24 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 2.75 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.214

(partial model without unconserved sides chains): PDB file : Tito_3UGM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UGM-query.scw PDB file : Tito_Scwrl_3UGM.pdb: