Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNEKIENI-FDKFEINIKEIKSATNSFNSNVYI--ITSVDDKRYVLKFCNNEKKMLNESKYMKYLKP-YIP-VADVVGTGDC------DEKYYIIQSFFEGSNKFDEEANELSDEQVRNIGILLAKLHSCELLDE---------SSNSWIIYLNGCLEKTVE-----TLEKIFG--KENN-KKISDFLSNY---INEKLSNNYKNSILHMDFRIGNVMFGKNDEIGLIDLESMKNGEYVFDFVKVNRL----F-NNDKFLKFMEGYNTIKAVDSNFEERLNFYSLFDSYTSLWWCA-TKNQLDSEFYKLNYKIVMKYLAKLNKDGVI 3I1A Chain:B ((9-322)) ---QQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSE-SKSYFIKLKYGYH-DEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQN---LTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINV----DKTILSYYRHERIVEDIAVYGQDLLSRNQN-NQSRLESFKYFKEMFDPNNV-

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 : 1168 15979 13.68 57.68 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : 13.68 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.362

(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: