Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSLSQVNADVLKQAQQRIQQDLLTTLAAFSIPEPLK--SAVHHAVMLGGKRVRPALCYATASLQDNPNFAAARRAAVAVELIHCYSLAHDDLPCMDNDLLRRGQPTCHVAFGEDTALLAGDILQSMAFEVLGSRLFDEQGQGTDAAIVLKQIQILATA--SSKMVCGQVLDLQAEA-KQISQDELENIHRNKTGALIQAAIMMGAVTIFPGTDQAIPKLRQYGQAIGLAFQVQDDILDITSSTETLGKTAGKDEQVQKSTYPALMGLEQAQIYAKELHDQAFEALAHFGEN-AKELVEISQFLLARTN 3KRC Chain:D ((21-295)) ---------------------------AAVQMKEPLKIHESMRYSLLAGGKRVRPMLCIAACELVGG-DESTAMPAACAVEMIHTMSLMHDDLPCMDNDDLRRGKPTNHMAFGESVAVLAGDALLSFAFEHVAA-----ATKGAPPERIVRVLGELAVSIGSEGLVAGQVVDVCSEGMAEVGLDHLEFIHHHKTAALLQGSVVLGAI-LGGGKEEEVAKLRKFANCIGLLFQVVDDILDVT------------------TTYPKLIGVEKSKEFADRLNREAQEQLLHFHPHRAAPLIALANYIAYRDN

General information: TITO was launched using: RESULT: Template: 3KRC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1230 -28052 -22.81 -111.76 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain D : 0.81 3D Compatibility (PKB) : -22.81 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_3KRC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KRC-query.scw PDB file : Tito_Scwrl_3KRC.pdb: