Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWKEKVSVTPPYHFDRVLDRLSLDPLNAVDREAREVRVPIRNQAGDVCIVKVQALGHAGEPEFLVSGETDQGEMMKEIKRIFQWENHLQHVLDHFSKTSLSAIFEEHAGTPLVLDYSVYNCMMKCIIHQQLNLSFAYTLTERFVHAFGEQKDGV---WCYPKPETIAELDYQDLRDLQFSMRKAEYTIDTSRMIAEGTLSLSELPHMADEDIMKKLIKIRGIGPWTVQNVLMFGLGRPNLFPLADIGLQNAIKRHFQLDDKPAKDVMLAMSKEWEPYLSYASLYLWRSIE 3CWS Chain:A ((68-272)) -------------------------------------------------------------------EPVAAECLAKMSRLFDLQCNPQIV-----NGALGRLGAARPGLRLPGCVDAFEQGVRAILGQLVSVAMAAKLTARVAQLYGERLDDFPEYICFPTPQRLAAADPQALKALGMPLKRAEALIHLANAALEGTLPMT-IPGDV-EQAMKTLQTFPGIGRWTANYFALRGWQAKDVF-LPDDYL---IKQRFP-GMTPAQ--IRRYAERWKPWRSYALLHIW----

General information: TITO was launched using: RESULT: Template: 3CWS.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 : 857 -118567 -138.35 -586.97 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -138.35 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3CWS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CWS-query.scw PDB file : Tito_Scwrl_3CWS.pdb: