Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MRLMINKSMKNIYIMGLLLACSGFAMAETVTQQ-PTGQPVRTASNPNAIRIVTRPEIMGLWGMEIPNNKKCVEYYNFRSSNDVVIKS--GEEWSYGIYEYQPSDDPKEQLSALVMQIKFDNNKVDCSGQKQDQTGDISQYFVQWKNDHTINFCSTAKGEQCFATLRRMLP-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 3UGM Chain:A ((169-1048)) KPKVRELVAHIVALSQHPAALGTVAVTYQHIITALATHEDIVGVGKQWSGARALEALLTDAGELRGPPLQLDTGQLVKIAKRGGVTAMEAVHASRNALTPLNLTPAQVVAIASNNGGKQALETVQRLLPVLCQAHGLTPAQVVAIASHDGGKQALETMQRLLPVLCQAHGLPPDQVVAIASNIGGKQALETVQRLLPVLCQAHGLTPDQVVAIASHGGGKQALETVQRLLPVLCQAHGLTPDQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPDQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPDQVVAIASNGGKQALETVQRLLPVLCQAHGLTPDQVVAIASHDGGKQALETVQRLLPVLCQTHGLTPAQVVAIASHDGGKQALETVQQLLPVLCQAHGLTPDQVVAIASNIGGKQALATVQRLLPVLCQAHGLTPDQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPDQVVAIASNGGGKQALETVQRLLPVLCQAHGLTQVQVVAIASNIGGKQALETVQRLLPVLCQAHGLTPAQVVAIASHDGGKQALETVQRLLPVLCQAHGLTPDQVVAIASNGGGKQALETVQRLLPGLTQEQVVAIAS----NNGGKQALETVQRLLPVLCQAH-GLTPDQVVAIASNGGGKQALETVQRLLPVLCQAHGLTPAQVVAIASNIGGKQALETVQRLLPVLCQDHGLTLAQVVAIASNIGGKQALETVQRLLPVLCQGLTQDQVVAIASNIGGKQALETVQRLLPVLCQDHGLTPDQVVAIASNIGGKQALETVQRLLPVLCQDHGLTLDQVVAIASNGGKQALETVQRLLPVLCQDHGLTPDQVVAIASNSG

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 : 716 23061 32.21 142.35 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : 32.21 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.115

(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: