Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIRIDIPHHPYDIQIEKGCMAQAGQWLRELWQPQKVVIVTDNHVASLYAEKVK--LSLEDAGFQVAVFDFLEGEERKNLTTVQKVYEFLVKQGLTRSDGIVALGGGVVGDLAGFVASTYMRGIHFVQIPTSLTAQVDSSIGGKTGVNTPFAKNMVGTFAQPDGVLIDPLVLETLGKRELIEGMGEVIKYGLI------EDPELW----ALLTGLNGSVESILEHAETLIEHSCQVKRKMVVEDELDNGIRLYLNFGHTIGHAIEATAGYGKVMHGEAVAMGMVQISKIAEEKGLMPAGITQSITEMCQKFGLPVDY-ENWEVDKLYQALTHDKKARGNTLKLVLVPELGSATIHPV-------SLEEMKDYLVK 1XAG Chain:A ((1-353)) MKLQTTYPSNNYPIYVEHGAIKYIGTYLNQFDQS---FLLIDEYVNQYFANKFDDILSYEN----VHKVIIPAGEKTKTFEQYQETLEYILSHHVTRNTAIIAVGGGATGDFAGFVAATLLRGVHFIQVPTTILAH-DSSVGGKVGINSKQGKNLIGAFYRPTAVIYDLDFLKTLPFKQILSGYAEVYKHALLNGESATQDIEQHFKDREILQSLNGMDKYIAKGIET--------KLDIVVADEKEQGVRKFLNLGHTFGHAVEY---YHKIPHGHAVMVGIIYQFIVANALFDSKHDISHYIQYLIQ-LGYPLDMITDLDFETLYQYMLSDKKNDKQGVQMVLMRQFGDIVVQHVDQLTLQHACEQLKTYF--

General information: TITO was launched using: RESULT: Template: 1XAG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1793 -54898 -30.62 -164.86 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -30.62 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_1XAG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XAG-query.scw PDB file : Tito_Scwrl_1XAG.pdb: