Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDELKQPPHANRGVVIVKEKNEAVESPLVSMVDYIRVSFKTHD--VDRI------IEEVLHLSKDFMTEKQSGFYGYVGTYELDY---IKVFYSAPDDNRGVLIEMSGQGCRQFESFLECRKKTWYDFFQDCM-QQGGSFTRFDLAIDDKKTYFSIPELLKKAQKGECISRFRKSDFNGSFDLSDGITGGTTIYFGSKKSEAYLCFYEKNYEQAEKYNIPLEELGDWNRYELRLKNERAQVAIDALLK-TKDLTLIAMQIINNYVRFVDAD-ENITREHWKTSLFWSDFIGDVGRLPLYVKPQKDFYQKSRNWLRNSCAPTMKMVLEADEHLGKTDLSDMIAEAELADKHKKMLDVYMADVADMVV 4CIJ Chain:A ((1-267)) ------------------------MSGLKPCVDWLQVTFKTGQDSVKKCVEKLEKVFEILGLNEAEFLPLKNGKYGYKQGVAFQGNPVLAVYYDGA-DDMGIHVEMTGQGCRLFELHT---SINWYELFYRLVYEYEVNITRLDVAVDDFKGYFKINTLVKKLKDDEVTSRFKKARHIENIVIEGGETIGHTLYFGAPSSDIQVRFYEKNVQMGMD-------IDVWNRTEIQLRDDRAHVVAQIIADDVLPLGEIVAGLLRNYIQFRTRKATDKNKKRWPLARFWLNFLGDVQPLRIAKQM----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CIJ.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 : 1208 -154986 -128.30 -612.59 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -128.30 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_4CIJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CIJ-query.scw PDB file : Tito_Scwrl_4CIJ.pdb: