Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAPPAVGQRTAWVDVPGDVRRGIEDVLGAPVIHAESQSGGFSPGTADRVR-TSTGRRAFVKAVSPDQNPDSPEIHRREADYLAVLPASSRLPKLIGRYDDGY--WIAM------VMEEIDGECPPVP--WSGAQVETAMETLAALAA-------DLTP-NPL---PGLEPISE-GFSPLFAGWRRLKDDPPTDLDPWIAARLDDLIELSESTLPRIDGDTVVHCDVRAD----NLLV--RADGSMVVVDWPWALSGADWLDRFMLLINIDLYGGHDVEDLVARHLTHVDPDLITGTLAGLCAFFVDSARQPPA---PGLPTL---REFQRAQGD--STLAWLRRRL-TGDRGV 1S9I Chain:A ((6-339)) --------QK-AKV---GELK--DDDF----ERISELGAGNG--GVVTKVQHRPSGLIMARKLIHLEIKPAIRNQIIRELQVLHEC-NSPYIVGFYGAFYSDGEISICMEHMDGGSLDQVLKEAKRIPEEILGKVSIAVLRGLAYLREKHQIMHRDVKPSNILVNSRGEIKLCDFGVS------GQLIDSM-VGTRSYMA-------------PERLQGTHY---SVQSDIWSMGLSLVELAVGRY-----PIPPPDAKELEAIFGRPVVDRPAMA-IFELLDYIVNEPPPKLPNGVFTPDFQEFVNKCLIKNPAERADLKMLTNHTFIKRSEVEEVDFAGWLCKTLRLNQPG-

General information: TITO was launched using: RESULT: Template: 1S9I.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 : 1306 -18979 -14.53 -71.62 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -14.53 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.265

(partial model without unconserved sides chains): PDB file : Tito_1S9I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1s9i-query.scw PDB file : Tito_Scwrl_1S9I.pdb: