Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKICVVGAGYVGLTLSAALASIGHDMICTDKDVK--KIGQLKKGVIPFYEPGLSDAILRC--GNLSFSSEVKSSMEECPVIFIAVGTPPRSDG-----SADTKALQSVIGDLSEAIRSYKTIITKSTVPPGTNENIAKQLIASGVSKNL-FNIVSNPEFLREGNALYDMLHPDKTVIGVQE--EDHVSAAIVKSIYKHI--DTPFIVTSLAGAELIKYANNFFLAAKISFINEMARICEAYQSDISDISRAIGLDPRIGKHFLQAGIGYGGSCFPKDLQALQFAAQEKNTETF--LLRAVQHINDTQLGLYIKK-IQSFFETLQGKKAAVLGISFKPNTDDIRNSQAVRLMERLAELGCDVHAYDP----EAVL-----PEHLRQHVTQHSQAFDAIEESDFLFLATEWSEFLAFDWKKA-ADIMKGRLVIDGRNVLKKELIEACGLICTGVGRP 3ITK Chain:B ((7-446)) -KICCIGAGYVGGPTCSVIAHMCPEIRVTVVDVNESRINAWNSPTLPIYEPGLKEVVESCRGKNLFFSTNIDDAIKEADLVFISVNTPTKTYGMGKGRAADLKYIEACARRIVQNSNGYKIVTEKSAVPVRAAESI-RRIFDANTKPNLNLQVLSNPEFLAEGTAIKDLKNPDRVLIGGDETPEGQRAVQALCAVYEHWVPREKILTTNTWSSELSKLAANAFLAQRISSINSISALCEATGADVEEVATAIGMDQRIGNKFLKASVGFGGSCFQKDVLNLVYLCEALNLPEVARYWQQVIDMNDYQRRRFASRIIDSLFNTVTDKKIAILGFAFKKDTGDTRESSSIYISKYLMDEGAHLHIYDPKVPREQIVVDLSHDDQVSRLVTISKDPYEACDGAHAVVICTEWDMFKELDYERIHKKMLKPAFIFDGRRVL------------------

General information: TITO was launched using: RESULT: Template: 3ITK.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 : 2087 11227 5.38 27.52 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : 5.38 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.523

(partial model without unconserved sides chains): PDB file : Tito_3ITK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ITK-query.scw PDB file : Tito_Scwrl_3ITK.pdb: