Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKENFKRSVSRMNAFRSFQVIKEP-VFHTAISDLPFTELAENEVLVKIAYSDVNYKDALAMSESGQVIRTYPMTPGIDLSGTVVQSNNPRFSKEDLVLATGFGLGVTHPGGYSQYQKVPGDWLVPLPKNMTLRQAMILGTAGFTAMLCVNALIRQG-MTSDKKVVVTGASGGVGSTAIALLHKLGFQSIIAFSRKEESVTWLKSLGALQVVRPDEFLPETTKALGKQQIDYVIDTVGGEQLSSLLPLISYNGAVALCGNAGGIKLNATVLPFILRNIQLIGIDSVNVPIDQRLSLWQQMADLQIA--DELVVQEITLDQLPETASKLLAGTHQGRTLVNVGDHK 3NX4 Chain:B ((1-323)) ---------------MQALILEQQDGKTLASVQHLEESQLPAGDVTVDVHWSSLNYKDALAITGKGKIIRHFPMIPGIDFAGTVHASEDPRFHAGQEVLLTGWGVGENHWGGLAERARVKGDWLVALPAGLSSRNAMIIGTAGFTAMLCVMALEDAGIRPQDGEVVVTGASGGVGSTAVALLHKLGYQVAAVSGRESTH-GYLKSLGANRILSRDEFAE--SRPLEKQLWAGAIDTVGDKVLAKVLAQMNYGGCVAACGLAGGFALPTTVMPFILRNVRLQGVDSVMTPPARRAEAWARLVKDLPESFYAQAATEITLADAPKFADAIINNQVQGRTLVKI----

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 B - contact count / total energy / energy per contact / energy per residue : 2005 -61122 -30.48 -191.60 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -30.48 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.509

(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: