Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLDSPGTLKQCLISQRPLQGGLTHDNTLLICAD-GSQWVCKRSLGRHQSGLATEANVYSLLVNTRFA-LPIKLVHLD-------IASQMLLRPYIEGTTTTSW--AQLSIEQAILLLKAIHQITATHHGKVSSPTSLTLNPANQLRVIWRYFRSRTS------Q-RA---KM----MDIYGKLSTILQNRQSLFN-TLSTFTLNHGDFHPGNLIATPAQQLVPIDWERAHFGDPAFDLALINWHGQDPIVNSALQARAIALYTQCPAEQVALQKRVVCWSLVRLFNDYLYLTSNGLKVDKLAHFEETTAMLLNAAS 3I1A Chain:B ((22-289)) -----------DIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYH---DEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEI---YSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV----DKTILSYYRHERIVEDI----------------------------

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 : 884 -26891 -30.42 -111.12 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -30.42 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.346

(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: