Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDGSASSSSPPSLSQPINDTTPRRLLT-LCS--VGVARPFQRKRWSPS--LLRL---SPWTCVKLGTFR-DLCEARTIQFIASNTSIP-VPKVYCSFQRRDKRDGTTTTYIVMQRIRGQTLASAWPTLSASSRNKILLQLRHFVQVMRNLPWPKREYKISNVDGGSLW---DCRLVSGVDRFGPFKDTLAFHLFLRNGLEKAPPELPEVDEM----IKLQARDWGPVVFTHGDLSSLNILVRGDRIVGIVDWETAGWFPPYWEYSTACQVNPRNTFWAEWIDHFLEPWPDALEMERVRQRWWGVI 3I1A Chain:B ((6-272)) -----------------IQAQQLIELLKVHYGIDIHTAQFIQ-GGADTNAFAYQADSESKSYFIKLKYGYHDEINLSIIRLLHDS-GIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQ--NL----TGKQWKQLGKVLRQIHETSVPI--SIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV------------

General information: TITO was launched using: RESULT: Template: 3I1A.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 953 -23736 -24.91 -94.94 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -24.91 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.241

(partial model without unconserved sides chains): PDB file : Tito_3I1A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3i1a-query.scw PDB file : Tito_Scwrl_3I1A.pdb: