Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKICVVGAGYVGLTLSAALASIGHDMICTDKDVKKIGQLKKGVIPFYEPGLSDAILR---CGNLSFSSEVKSSMEECPVIFIAVGTPPRSDGSADTKALQSVIGDLSEAIRSYKTIITKSTVPPGTNENIAKQLIASGVSKNL---FNIVSNPEFLREGNALYDMLHPDKTVIGVQEEDHVSAAIVKSIYKHI---DTPFIVTSLAGAELIKYANNFFLAAKISFINEMARICEAYQSDISDISRAIGLDPRIGKHFLQAGIGYGGSCFPKDLQALQFAAQEKNTETFLLRAVQHINDTQLGLYIKKIQSFFE-TLQGKKAAVLGISFKPNTDDIRNSQAVRLMERLAELGCDVHAYDPEAV--LPEHLRQHVTQHSQAFDAIEESDFLFLATEWSEFLAFDWKKAADIMKGRLVIDGRNVLKKELIEACGLICTGVGRP 3GG2 Chain:A ((3-425)) LDIAVVGIGYVGLVSATCFAELGANVRCIDTDRNKIEQLNSGTIPIYEPGLEKMIARNVKAGRLRFGTEIEQAVPEADIIFIAVGTPAGEDGSADMSYVLDAARSIGRAMSRYILIVTKSTVPVGSYRLIRKAIQEELDKREVLIDFDIASNPEFLKEGNAIDDFMKPDRVVVGVDSDR--ARELITSLYKPMLLNNFRVLFMDIASAEMTKYAANAMLATRISFMNDVANLCERVGADVSMVRLGIGSDSRIGSKFLYPGCGYGGSCFPKDVKALIRTAEDNGYRMEVLEAVERVNEKQKSILFDKFSTYYKGNVQGRCVAIWGLSFKPGTDDMREAPSLVLIEKLLEVGCRVRVYDPVAMKEAQKRLGDKVEYTTDMYDAVRGAEALFHVTEWKEFRMPDWSALSQAMAASLVIDGRNV-------------------

General information: TITO was launched using: RESULT: Template: 3GG2.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 : 2117 -10989 -5.19 -27.00 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -5.19 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_3GG2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GG2-query.scw PDB file : Tito_Scwrl_3GG2.pdb: