Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTLFQALQAEKNADDVSVHVKTISTEDLPKDGVLIKVAYSGINYKDGLAGKAGGNIVREYPLILGIDAAGTVVSSNDPRFAEGDEVIATSYELGVSRDGGLSEYASVPGDWLVPLPQNLSLKEAMVYGTAGFTAALSVHRLEQNGLSPEKGSVLVTGATGGVGGIAVSMLNKRGYDVVASTGNREAADYLKQLGASEVISREDVYDGTLKALSKQQWQGAVDPVGGKQLASLLSKIQYGGSVAVSGLTGGGEVPATVYPFILRGVSLLGIDSVYCPMDVRAAVWERMSSDLKPDQLLTIVDREVSLEETPGALKDILQNRIQGRVIVKL 3NX4 Chain:A ((1-323)) ----MQALILEQQDGKTLASVQHLEESQLPAGDVTVDVHWSSLNYKDALAITGKGKIIRHFPMIPGIDFAGTVHASEDPRFHAGQEVLLTGWGVGENHWGGLAERARVKGDWLVALPAGLSSRNAMIIGTAGFTAMLCVMALEDAGIRPQDGEVVVTGASGGVGSTAVALLHKLGYQVAAVSGRESTHGYLKSLGANRILSRDEFAE--SRPLEKQLWAGAIDTVGDKVLAKVLAQMNYGGCVAACGLAGGFALPTTVMPFILRNVRLQGVDSVMTPPARRAEAWARLVKDLPESFY-AQAATEITLADAPKFADAIINNQVQGRTLVKI

General information: TITO was launched using: RESULT: Template: 3NX4.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 : 2073 -204589 -98.69 -633.40 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -98.69 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_3NX4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NX4-query.scw PDB file : Tito_Scwrl_3NX4.pdb: