Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNEQWLEHLPLKDIKEISPVSGGDVNEAYRVE--TDTDTFFLLVQRGRKESFYAAEIAGLNEFERAGIT-APRVIASGEV------NGDAYLVMTYLEE-GAS------GSQRQLGQLVAQLHSQQQEEGKFGFSLPYEGGDISFDNHWQDDWCTIFVDKR--LDH--LKDELLN-RGLWDANDIKVYDKVRRQ---IVAELEKHQSKPSLLHGDLWGGNYMFLQDGRPALFDPA-PLYGDREFDIGITTVFG-------GFTSEFYDAYNKHYPLAKGASYRLEFYRLYLLMVHLLKFGEMYRDSVAHSMDKILQDTTS 3I1A Chain:B ((14-286)) ---LLKVHYG-IDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGY---HDEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVP---ISIQ--QQLR----KEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV-D---KTILSYYRHERIV---------------------------

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 : 897 -20464 -22.81 -84.91 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -22.81 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.304

(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: