Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQLLRYAKDYRKQIILGPFFKFLEAVFELVLPLMMASLIDNGLKMNDRGKIIEMGLWMVAMSVIGLICAIICQYYASVASQGFGTELRNQLIKKINTFSHNELNHFGTDTLITRMTNDINQLQLALAMVIRLLIRAPFLSIGSVVMAFVIDWEVGLFFLALLPIFSIILFFIIKKTVPLYQKVQEKLDQLNEHVSQNLSGVRVIRAFAQTKKETEKFDKSTNDLANNYLRVSNISALLSPATTLIMNVGIICLLTVGGIKVNIGSLQQGQVLALINYMNQMLLALIVVSNLVVIFTRAEASGNRVKEVLDTENSILEAEVSTTPDFSSEAIIAFDHVDFRYTPDSGLSLQNITFQLKRNTVLGIIGPTGSGKTTLTQLIPRFYDVSSGTVIMDGMDVRSWQ--LDHLRQQIALVPQTSVLFTG-TIRENLQWGK---KDATEKECWEALKIAQAEEFVRQLPNGLDTKVMENGKNFSGGQKQRLTIARALIAKPALLILDDSLSALD---YQTDLDLRKALQTYLGSTVIIISQRVRSIQE-AHHILVMDQGKIAAQGTHEELLAQSAEYQEIVASQEEE 4YMU Chain:A ((17-227)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEEL-----AVDLLAKV--GLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANE-GMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRA-------------

General information: TITO was launched using: RESULT: Template: 4YMU.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 : 980 -16334 -16.67 -81.26 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -16.67 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_4YMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMU-query.scw PDB file : Tito_Scwrl_4YMU.pdb: