Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTEPDKRALAEFISTVVGSPATELVPLPGSVANLDYLVRAAD-HRRFIVKIGPRSEMVAEAWACRRLARIGVPVPEV-VSLEQDHGDA-------GVAVLILSFLPGVPSDAP------------VIFGEAGRAIRHVHAQQLPGWGPLIVEADGHRARGRFDSWREYVLDELSGLPE---------LVTAG-VIDARLAVAARDCVAV--EEVLGYRGQGVLLHNDLKPAHLFALEDGGQMRLAGIIDWGDAGVGDPLVDLARLSMS------GPEALQAFSAGYGIELTPTLHRTLARYRILHNVGALAYEHRAGGDWFDLYRERVRRDTELLVDLAAPS 3I1A Chain:B ((3-272)) -KQPIQAQQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGY-HDEINLSIIRLLHD---SGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRK-------------EIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEE----SIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV---------------------------------------------------

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 : 801 -29008 -36.21 -125.58 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -36.21 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.178

(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: