Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------NMIALSRSTLS--RPRCNIIIYGLPSGRNQDRPVMGEAD----TALNSE---------------VFITVRSGEKYRCTVKDDCDKPTC-HELPPHLTYAG--------------------------------------------------------- 1JW9 Chain:B ((2-248)) AELSDQEMLRYNRQIILRGFDFDGQEALKDSRVLIVGLGGLGCAASQYLASAGVGNLTLLDFDTVSLSNLQRQTLHSDATVGQPKVESARDALTRINPHIAITPVNALLDDAELAALIAEHDLVLDCTDNVAVRNQLNAGCFAAKVPLVSGAAIRMEGQITVFTYQDGEPCYRCLSRLFGEAGVMAPLIGVIGSLQAMEAIKMLAGYGKPASGKIVMYDAMTCQFREMKLMRNPGCEVCG

General information: TITO was launched using: RESULT: Template: 1JW9.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 : 225 8314 36.95 106.58 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.54 3D Compatibility (PKB) : 36.95 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_1JW9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1jw9-query.scw PDB file : Tito_Scwrl_1JW9.pdb: