Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARRDQDKLTGKQKAAILMISLGLDVSASVYKHLTDEEIERLTLEISGVRSVDHQKKDEIIEEFHNIAIAQDYISQGGLSYARQVLEKALGEDKAENILNRLTSSLQVKPFDFARKAEPEQILNFIQQEHPQTMALILSYLDPVQAGQILSELNPEVQAEVARRIAVMDRTSPEIINEVERILEQKLSSAFTQDYTQTGGIEAVVEVLNGVDRGTEKTILDSLEIQDPDLAEEIKKRMFVFEDIVTLDNRAIQRVIRDVENDDLLLSLKVASEEVKEIVFNNMSQRMVETFKEEMEFMGPVRLKDVEEAQSRIVSIVRKLEEAGEIVIARGGGDDIIV 3AJC Chain:A ((105-325)) -----------------------------------------------------------------------------------------------------------VKPFSFVRDTDPVQLVNFLQSEHPQTIAVVLSYLDPPVAAQILGALPEELQTEVLKRIALLERTS---VKEIERNLEKKISG--------VGGIDTAAEIMNNLDRTTEKKIMDKLVQENPELADEIRRRMFVFEDILKLDDRSIQLVLREVDTRDLALALKGASDELKEKIFKNMSKRAAALLKDELEYMGPVRLKDVEEAQQKIINIIRRLEEAGEIVI----------

General information: TITO was launched using: RESULT: Template: 3AJC.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 : 760 -118438 -155.84 -563.99 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -155.84 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.735

(partial model without unconserved sides chains): PDB file : Tito_3AJC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AJC-query.scw PDB file : Tito_Scwrl_3AJC.pdb: