Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSLSQVNADVLKQAQQRIQQDLLTTLAAFSIPEPLKSAVHHAVMLGGKRVRPALCYATASLQDNPNFAAARRAAVAVELIHCYSLAHDDLPCMDNDLLRRGQPTCHVAFGEDTALLAGDILQSMAFEVLGSRLFDEQGQGTDAAIVLKQIQILATA--SSKMVCGQVLDLQAEAK-QISQDELENIHRNKTGALIQAAIMMGAVTIFPGTDQAIPKLRQYGQAIGLAFQVQDDILDITSSTETLGKTAGKDEQVQKSTYPALMGLEQAQIYAKELHDQAFEALAHFGE-NAKELVEISQFLLARTN 3KRA Chain:D ((3-294)) ------DFDGYMLRKAKSVNKALEAAVQMK-EPLKIHESMRYSLLAGGKRVRPMLCIAACELV-GGDESTAMPAACAVEMIHTMSLMHDDLPCMDNDDLRRGKPTNHMAFGESVAVLAGDALLSFAFEHVAAATKG-----APPERIVRVLGELAVSIGSEGLVAGQVVDVCSEGMAEVGLDHLEFIHHHKTAALLQGSVVLGAIL-GGGKEEEVAKLRKFANCIGLLFQVVDDILDVT------------------TTYPKLIGVEKSKEFADRLNREAQEQLLHFHPHRAAPLIALANYIAYRD-

General information: TITO was launched using: RESULT: Template: 3KRA.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 : 1355 -124046 -91.55 -459.43 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain D : 0.80 3D Compatibility (PKB) : -91.55 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_3KRA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KRA-query.scw PDB file : Tito_Scwrl_3KRA.pdb: