Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEPSLDMITDESLRTAAAIDFVCQHFSLGELVGIGDRLKGSYNINLK--ITTTNGEFVVRFISSSVSEAHLQYVSKLLAKLENEGIP-VPLPVQDEKGMSFVELDGKRVQVTPFVQGRSF-L--CREQQVHSSASMLRRFHHILGDEPPGPLP-EWSFYHKSSDLRE-RLNRLREL------PTIPSKEHAEVSRVMNRVLHKY----D-KDASLLPRTIIHGDWHFWNQKYIRNEVSCVLDFDFVRNGTRLFDIAYSIWVIYLLLPNYAS-TFDASFLDGYGKLSDIEIYLLPAAVSRISLFFLCQSIHSADPAVKWKHQYRKQMPFLDWMEKEGKSRIRSLASAVQA 3I1A Chain:B ((7-287)) -------------QAQQLIELLKVHYGID-IHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYH----DEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWN-KPHEI--QYFYEGYGEINV-DKTILSYYRHERIVE----------------------------------------------

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 : 1022 -37588 -36.78 -144.02 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : -36.78 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.254

(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: