Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIAVFASGNGSNFQALADYLSKKGLESSIDWLFCDQPEAYVLKRATALSVPADCFSPKEFDSKKEYEEAILHKLKEKKIDLIVLAGYMRIIGPVLLKNYDKRIINIHPSLLPAFPGLHGIRDAFEAGVKETGVTIHYIDQGVDTGPIIRQEKVRIEQEDTFDSLEEKIHRVEHRIYPEVISEIIENGGYLK 3KCQ Chain:B ((9-190)) LRVGVLISGRGSNLEALAKAFST---SVVISCVISNNAEARGLLIAQSYGIPTFVVKRKPLDI-----EHISTVLREHDVDLVCLAGFMSILPEKFVTDWHHKIINIHPSLLPSFKGLNAQEQAYKAGVKIAGCTLHYVYQELDAGPIIMQAAVPVLREDTAESLASRILAAEHVCYPKGVKLIAQD-----

General information: TITO was launched using: RESULT: Template: 3KCQ.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 : 925 -159684 -172.63 -892.09 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -172.63 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.627

(partial model without unconserved sides chains): PDB file : Tito_3KCQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KCQ-query.scw PDB file : Tito_Scwrl_3KCQ.pdb: