Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQLLRYAKDYRKQIILGPFFKFLEAVFELVLPLMMASLIDNGLKMNDRGKIIEMGLWMVAMSVIGLICAIICQYYASVASQGFGTELRNQLIKKINTFSHNELNHFGTDTLITRMTNDINQLQLALAMVIRLLIRAPFLSIGSVVMAFVIDWEVGLFFLALLPIFSIILFFIIKKTVPLYQKVQEKLDQLNEHVSQNLSGVRVIRAFAQTKKETEKFDKSTNDLANNYLRVSNISALLSPATTLIMNVGIICLLTVGGIKVNIGSLQQGQVLALINYMNQMLLALIVVSNLVVIFTRAEASGNRVKEVLDTENSILEAEVSTTPDFSSEAIIAFDHVDFRYTPDSGLSLQNITFQLKRNTVLGIIGPTGSGKTTLTQLIPRFYDVSSGTVIMDGMDVRSWQLDHLRQQIALVPQTSVLFTGTIRENLQWGKKDATEKECWEALKIAQAEEFVRQLPNGLDTKVMENGKNFSGGQKQRLTIARALIAKPALLILDDSLSALDYQTDLDLRKALQTYL-GSTVIIISQRVRSIQEAHHILVMDQGKIAAQGTHEELLAQSAEYQEIVASQEEE 4Q4A Chain:B ((105-590)) --------------------------------------------------------------------------------SQDVVFRLRKELFEKLQRVPVGFFDRTPHGDIISRVINDVDNINNVLGNSIIQFFSGIVTLAGAVIMMFRVNVILSLVTLSIVPLTVLITQIVSSQTRKYFYENQRVLGQLNGIIEEDISGLTVIKLFTREEKEMEKFDRVNESLRKVGTKAQIFSGVLPPLMNMVNNLGFALISGFGGWLALKDIITVGTIATFIGYSRQFTRPLNELSNQFNMIQMALASAERIFEILDLEEEKDDPDAVELREVRGE--IEFKNVWFSYDKKKPV-LKDITFHIKPGQKVALVGPTGSGKTTIVNLLMRFYDVDRGQILVDGIDIRKIKRSSLRSSIGIVLQDTILFSTTVKENLKYGNPGATDEEIKEAAKLTHSDHFIKHLPEGYETVLTDNGEDLSQGQRQLLAITRAFLANPKILILDEATSNVDTKTEKSIQAAMWKLMEGKTSIIIAHRLNTIKNADLIIVLRDGEIVEMGKHDELIQKRGFYYELFTSQ---

General information: TITO was launched using: RESULT: Template: 4Q4A.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 : 1890 -237344 -125.58 -489.37 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -125.58 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_4Q4A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q4A-query.scw PDB file : Tito_Scwrl_4Q4A.pdb: