Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNIRIGSYHWMQTTNGQLSFKEKIKLIQKIMVPSILSSIKINYYRFQTGNDFDIGQIVIPDTQMIKIALEELESKASISIYNHSWRTYFWGAALGHLQNQQFDPESLLLASLFHDIGLTEQHMHS----------K---G--C-QCFTYESAKQFEQKAKEYNFDDKKSEVIKDAICLHMNGYIE------------------------DSDPPEVVLLQQGASCDVISDNQYKLPLSFRNKILEKYPR-NQFNKEFIKLINLERKNVPNSRTGLLYDLGLPLMIKSNLYNENLI 4S1B Chain:D ((15-195)) -----------------------------------------------------------------------------APGTYHHSMMVANLAEACADKIGA--NSLLVRVGCFYHDIGKTLRPPYFVENQLQGINPHDRLTPEQSRDIILSHTKDGAEILKENHM----PQPIIDIALQHHGTTLLKYFYFKAKETNPDVKEADYRYSGPKPQTKEIAIINISDSVEAAVRSSTEPTMAKITEIIDGIIKDRFLDGQFTECDIT--------------------------------

General information: TITO was launched using: RESULT: Template: 4S1B.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 584 -10367 -17.75 -74.05 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain D : 0.60 3D Compatibility (PKB) : -17.75 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.304

(partial model without unconserved sides chains): PDB file : Tito_4S1B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S1B-query.scw PDB file : Tito_Scwrl_4S1B.pdb: