Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWYNRAMKHFDTIVIGGGPAGMMATISSSFYGQKTLLIEKNRKLGKKLAGTGGGRCNVTN-NGSLDNLLAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDHGRVFPASDKSRTIIEALEKKITELGGQVATQIEIVSVKKVDDQFVLKSADQTFTCEKLIVTTGGKSYPSTGSTGFGHEIARHFKHTITDLEAAESPLLTDFPH----KALQGISLDDVTLSYGKHVITHDLLFTHFGLSGPAALRMSSFVKGGEVLSLDVLPQLSEKDLVTFLE----ENREKSLKNALKTLLPERLAEFFVQGYP---EKVKQLTEKEREQLVQSIKELKIPVTGKMSLAKSFVTKGGVSLKEINPKTLESKLVPGLHFAGEVMDINAHTGGFNITSALCTGWVAGSLHYD 3V76 Chain:A ((50-414)) -------------------------------GRRVLVIDHARAPGEKIRISGGGRCNFTNIHASPRNFLSGNP---HFCKSALARYRPQDFVALVERHGIGWHEKTLGQLF-CDHSAKDIIRMLMAEMKEAGVQLRLETSIGEVERTASGFRVTTSAGTVDAASLVVASGGKSIPKMGATGLAYRIAEQFGLPVVETRPALVPLTLDQAQLAKLGALAGVAAD-AEARFGKAAFREAVLITHRGLSGPAILQISSYWREGEEIVLRLMPDI---DIASILKGMRRANGRQAVQTALADILPRRLAQFFADEAKLTGRMLADLSDKTIDALASSIQVWAVKPAGSEGYRTAEVTLGGVDTRALDSRTMQAKEVPGLYFVGECVDVTGWLGGYNFQWAWASGFVAG-----

General information: TITO was launched using: RESULT: Template: 3V76.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 : 1782 16801 9.43 47.59 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 9.43 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.453

(partial model without unconserved sides chains): PDB file : Tito_3V76.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3V76-query.scw PDB file : Tito_Scwrl_3V76.pdb: