Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKAGAADSAPTPKPQDGPARAWVARLVQRRFGERPRGLQALGGGLNNHVYQLQAGGQPLVVRLHQDPGKLAVYRKEAWAMGQARKAGVPTPQVLEVGE-EGGHPYMLQRLVEGIPGTQWADGN--AVLRQMGEL-----AARLHQVATQGFGPAVGGSAVPGQRSWPHWADFLDH--ELRVGERLGMLDRVNALPTPARQALTATLAQMRRWSRRPVLQHGDLRLKNVIVSPRDGRIVALIDWEDCLSAPPPHWELAIALHDLGPDGKEVFLEGYGLSAARFARIAPQLRALNVLNYAWAIHLALQDGQRRRAEWMKARLRGVFDVAL 3W0Q Chain:A ((11-227)) -----------------------VEKFLIEKFGSVSDLMQ-LSEGEESRAFSFDVGGRGYVLRVNSCADG---FYKDRYVYRHFASAALPIPEVLDIGEFSESLTYCISRRAQGVTLQDLPETELPAVLQPVAEVMDAIAAADLSQ--TSGFGPF--GPQGIGQ--YTTWRDFICAIADPHVYHWQTVMD--DTVSASVAQALDELMLWAEDCPEVRHLVHADFGSNAVLTD--NGRITAVIDWSEAMFGDPLY---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W0Q.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 : 776 -31175 -40.17 -150.60 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -40.17 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.204

(partial model without unconserved sides chains): PDB file : Tito_3W0Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w0q-query.scw PDB file : Tito_Scwrl_3W0Q.pdb: