Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQLLRYAKDYRKQIILGPFFKFLEAVFELVLPLMMASLIDNGLKMNDRGKIIEMGLWMVAMSVIGLICAIICQYYASVASQGFGTELRNQLIKKINTFSHNELNHFGTDTLITRMTNDINQLQLALAMVIRLLIRAPFLSIGSVVMAFVIDWEVGLFFLALLPIFSIILFFIIKKTVPLYQKVQEKLDQLNEHVSQNLSGVRVIRAFAQTKKETEKFDKSTNDLANNYLRVSNISALLSPATTLIMNVGIICLLTVGGIKVNIGSLQQGQVLALINYMNQMLLALIVVSNLVVIFTRAEASGNRVKEVLDTENSILEAEVS-TTPDFSSEAIIAFDHVDFRYTPDSGLSLQNITFQLKRNTVLGIIGPTGSGKTTLTQLIPRFYDVSSGTVIMDGMDVRSWQLDHLRQQIALVPQTSVLFTGTIRENLQWGKKDATEKECWEALKIAQAEEFVRQLPNGLDTKVMENGKNFSGGQKQRLTIARALIAKPALLILDDSLSALDYQTDLDLRKALQTYL-GSTVIIISQRVRSIQEAHHILVMDQGKIAAQGTHEELLAQSAEYQEIVASQEEE 4Q4A Chain:A ((14-578)) ---LARYLKPYWIFAVLAPLFMVVEVICDLSQPTLLARIVDEGIARGDFSLVLKTGILMLIVALIGAVGGIGCTVFASYASQNFGADLRRDLFRKVLSFSISNVNRFHTSSLITRLTNDVTQLQNLVMMLLRIVVRAPLLFVGGIVMAVSINVKLSSVLIFLIPPIVLLFVWLTKKGNPLFRKIQESTDEVNRVVRENLLGVRVVRAFRREEYENENFRKANESLRRSIISAFSLIVFALPLFIFIVNMGMIAVLWFGGVLVRNNQMEIGSIMAYTNYLMQIMFSLMMIGNILNFIVRASASAKRVLEVLNEKPAIEEADNALALPNV--EGSVSFENVEFRYFENTDPVLSGVNFSVKPGSLVAVLGETGSGKSTLMNLIPRLIDPERGRVEVDELDVRTVKLKDLRGHISAVPQETVLFSGTIKENLKWGREDATDDEIVEAAKIAQIHDFIISLPEGYDSRVERGGRNFSGGQKQRLSIARALVKKPKVLILDDCTSSVDPITEKRILDGLKRYTKGCTTFIITQKIPTALLADKILVLHEGKVAGFGTHKELLEHCKPYREIYESQ---

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 A - contact count / total energy / energy per contact / energy per residue : 2398 -140510 -58.59 -249.57 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -58.59 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.488

(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: