Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKPLFYATITKTFEHKKGGKDVYLSSEYLKQFDKDLYYKILLLESFEDQAWHTAAQLAQVVQLDARSVSKYLNELSKNYQQFSGKTHPLFTKNHRSGYNFYDTLDSIEHERFLIYLVQSTLKFQLLHDIFFEEFHTMYQFAQKHYISESTAHRKINEWKQQLQTYGIRLQRGTYIAQGEEEIIRLYLHMTFWQLFRGKIWPFETISQMDVKNMAEHIMAFFNVRLNEIKKRRLEYMLGAFFLRKSQKHYVVLNEKKRRLISDNLLFQRFCQVMEPVFPNYFQVEDELGALFLVLMTREEYYSDPKIRKKIFDFHQQAKTPPFTALSEAKAALSLYQEEQGLPAENLTFEAENYLFSSHFFAYLFPNAKETIDGNSSDFINHLVIENKELKQWLVHFFESRHKHPNHLAFKNHAFLMGRYLTVFKTLGAFTPQLPKITILLMTDFPLFEEQLLEEGLRTFFRNE-YQ--LIFLPTD---YRGREVDLLISTSKVHRKP--------WADLDYFIVTEEL-KLIDYIQLSQKFEMIQKQKLLKQ 4MGE Chain:B ((1-102)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MNILLCCSAGMSTSLLVT-KMEAAAKARGLEGKIWAVSGDAVKTNIDQADVLLLGPQVRYMLSSMKTLADERNVGIDVINPMHYGMMNGEAVLDHALTLKKGE----

General information: TITO was launched using: RESULT: Template: 4MGE.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 : 332 -28099 -84.63 -322.97 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.54 3D Compatibility (PKB) : -84.63 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.632

(partial model without unconserved sides chains): PDB file : Tito_4MGE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MGE-query.scw PDB file : Tito_Scwrl_4MGE.pdb: