Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GCSASILKYDANGGQETYYGSALPANGSIAFQPTEFGTEVVISVDANCNPTNTDDVKKSVPKGWGLH----------------------------------------------------- 2HGS Chain:A ((3-474)) TNWGSLLQDKQQLEELARQAVDRALAEGVLLRTSQEPTSSEVVSYAPFTLFPSLVPSALLEQAYAVQMDFNLLVDAVSQNAAFLEQTLSSTIKQDDFTARLFDIHKQVLKEGIAQTVFLGLNRSDYMFQRSADGSPALKQIEINTISASFGGLASRTPAVHRHVLSVLSKTKEAGKILSNNPSKGLALGIAKAWELYGSPNALVLLIAQEKERNIFDQRAIENELLARNIHVIRRTFEDISEKGSLDQDRRLFVDGQEIAVVYFRDGYMPRQYSLQNWEARLLLERSHAAKCPDIATQLAGTKKVQQELSRPGMLEMLLPGQPEAVARLRATFAGLYSLDVGEEGDQAIAEALAAPSRFVLKPQREGGGNNLYGEEMVQALKQLKDSEERASYILME-KIEPEPFE-NCLLRPGSPARVVQCISELGIFGVYVRQEKTLVMNKHVGHLLRTKAIEHADGGVAAGVAVLDNPYPV

General information: TITO was launched using: RESULT: Template: 2HGS.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 : 95 10934 115.09 168.22 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : 115.09 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.204

(partial model without unconserved sides chains): PDB file : Tito_2HGS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2hgs-query.scw PDB file : Tito_Scwrl_2HGS.pdb: