Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLELRNINKVFGDKQILSNFSLSIPEKQILAIVGPSGGGKTTLLRMLAGLETIDSGQIFYNGQPLELDELQKRNLLGFVFQDFQLFPHLSVLENLTLSPVKTMGMKQEEAEKKASGLLEQLGLGGHAEAYPFSLSGGQKQRVALARAMMIDPEIIGYDEPTSALDPELRLEVEKLILQ-NRELGMTQIVVTHDLQFAENIADVLLKVEPK 3PUZ Chain:B ((4-202)) -VQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERG-VGMVFQSYALYPHLSVAENMSFG-LKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLAD--------

General information: TITO was launched using: RESULT: Template: 3PUZ.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 : 913 -105138 -115.16 -531.00 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -115.16 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.672

(partial model without unconserved sides chains): PDB file : Tito_3PUZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUZ-query.scw PDB file : Tito_Scwrl_3PUZ.pdb: