Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKGKARAYTNIALIKYWGKK-NEELILPMNNSLSLTLD-AFYTETEVIFSDSYMVDEFYLDGTLQDEKATKKVSQFLDLFRKEAGLSLKASVISQNFVPTAAGLASSASGLAALAGACNTALKLGLDDLSLSRFARRGSGSACRSIFGGFVEWEKG--HDDLSSYAKPVPSDSFEDDLAMVFVLINDQKKEVSSRNGMRRTVETSSFYQGWLDSVEGDLYQLKQAIKTKDFQLLGETMERNGLKMHGTTLAAQPPFTYWSPDSLKAMDAVRQLRKQGIPCYFTMDAGPNVKVLVENSHLSEVQETFTKLFSKEQVITAHAGPGIAIIE 5GMD Chain:A ((9-322)) -------APSNIAVVKYWGKRGDERLNLPLNNSLSITLDDQLSVITKVTLNDKNIV--IVNDRILSEDEMKEYAGRVLDTFKKIVGKEFHVKVESKSKFPINAGLASSAAGIAALAFSLNELLELNLKSEELSKIARLGSGSACRSMFGGFVVWNKGEREDGEDSYCYQIFRHDYWSELVDIIPILSEKEKKISSRKGMIRSAETSELMECRLKYIEKTFNEVIEAIRNRDEKKFYYLMMRHSNSMHAVILDSWPSFFYLNDTSIRIMEWIHDYGKAG----YTFDAGPNPHIFTTERNIGDILE-FLKSLEIKRIIVSKVGDGPKVL-

General information: TITO was launched using: RESULT: Template: 5GMD.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 : 1744 -1064 -0.61 -3.43 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -0.61 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_5GMD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5GMD-query.scw PDB file : Tito_Scwrl_5GMD.pdb: