Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVLQELTKKKYSSLKTMFDDKYCPTFVYSILDQTIPGAVYADDQTFPKSFFI--GTESGIYFIAGDQGNRDFHDFIAGYYEEQVKSSKRFTLFSSSDTWDSVLKPILKDDLNQMRRAAFSYQPKSFKKTLQ-----LPKGLVLKRIDEDIISHSTAFNSAYYEEY-------WNSVSQFASKGFGFAVLHGNHVVSECTSIFLGHNRAEMDIYTLEEYRGLGLAYCVANRFIAFCMENGIVPSWDCDICNNSSIALAAKLGFKTVTEYTIYYSG 3G3S Chain:A ((4-246)) ---------EQMRRVARLFGD-WPETIIWTCLEGTM-GDIYVDDSQSPQSALALYGRQSFFGFLAG-QPHRDLLKICEG---------KNIILVPQNQAWSDLIEEVYGDGVRFFTRYATKKDTEFDLGHLQKLVDDLPESFDMKLIDRNL------YETCLVEEWSRDLVGNYIDVEQFLDLGLGCVILHKGQVVSGASSYASYSAGIEIEVDTREDYRGLGLAKACAAQLILACLDRGLYPSWDAHTL--TSLKLAEKLGYELDKAYQAY---

General information: TITO was launched using: RESULT: Template: 3G3S.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 : 1124 -173881 -154.70 -759.30 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -154.70 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.499

(partial model without unconserved sides chains): PDB file : Tito_3G3S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3G3S-query.scw PDB file : Tito_Scwrl_3G3S.pdb: