Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVKILAVDMDGTFLNSKKQYNKARFLKQYEQLKQNNIRFVVASGNQLAKLVTYFPEI--NHEIAFI-AENGAHVVD-AGQELAFAHLSKEQFIEILNAIDPVYTSKMVICGKQSAYVHSSMNAEDYAKVARYFEKLTVIDDFYALDDLVCKITFTAQENESFTIFEHFQKQSFVKDKVLVPVSSGFN-------FIDLILPDQHKAHGLKLLLQKWQVQPDQVVAIGDNNNDIQMIKAAGYGFAV----EALKSVTPYTTANNEQEGALQVIDLVLQHQPPFA 3NIW Chain:A ((6-268)) ---KLIVLDLDGTLTNSKKEIS-SRNRETLIRIQEQGIRLVLASGRPTYGIVPLANELRMNEFGGFILSYNGGEIINWESKEMMYENVLPNEVVPVL--YECARTNHLSILTYDGAEIVTENSLDPYVQKEAFLNKMAIRET----NDFLTDITLPVAK---CLIVGDAGKLIPVESELCIRLQGKINVFRSEPYFLELVPQGIDKALSLSVLLENIGMTREEVIAIGDGYNDLSMIKFAGMGVAMGNAQEPVKKAADYITLTNDEDGVAEAIERI--------

General information: TITO was launched using: RESULT: Template: 3NIW.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 : 1386 -18603 -13.42 -75.01 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -13.42 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_3NIW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NIW-query.scw PDB file : Tito_Scwrl_3NIW.pdb: