Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFANISISEFDPELAQAIASEDERQEAHIELIASENYCSPAVMEAQGSKLTNKYAEGYPGKRYYGGCEFVDVIEQMAIDRAKELFGADYANVQPHAGSQANSAVYLALLNPGDTVLGMSLAHGGHLTHGAKVSFSGKTYNAVQYGLNAETGEIDYEEVERLALEHKPRMIVAGFSAYSRVVDWQRFRDIADKVGAYLFVDMAHVAGLVAAGVYPNPVQIADVTTTTTHKTLRGPRSGLILAKANEEIEKKLQSAVFPGNQGGPLMHAIAAKAICFKVAMSDDFKAYQKQVVKNAQAMAEVFIARGYDVVSGGTDNHLFLLSLIKQDVTGKDADAWLGAAHITVNKNSVPNDPRSPFVTSGIRIGTPAVTTRGFGETEVRELAGWIADVIDSKGDEKVIADVKAKVEAVCAKFPVYAK 2DKJ Chain:B ((6-407)) --------KRDEALFELIALEEKRQREGLELIASENFVSKQVREAVGSVLTNKYAEGYPGARYYGGCEVIDRVESLAIERAKALFGAAWANVQPHSGSQANMAVYMALMEPGDTLMGMDLAAGGHLTHGSRVNFSGKLYKVVSYGVRPDTELIDLEEVRRLALEHRPKVIVAGASAYPRFWDFKAFREIADEVGAYLVVDMAHFAGLVAAGLHPNPLPYAHVVTSTTHKTLRGPRGGLILSNDPELGKR-IDKLIFPGIQGGPLEHVIAGKAVAFFEALQPEFKEYSRLVVENAKRLAEELARRGYRIVTGGTDNHLFLVDLRPKGLTGKEAEERLDAVGITVNKNAIPFDPKPPRVTSGIRIGTPAITTRGFTPEEMPLVAELIDRALLEGPS----EALREEVRRLALAHPMP--

General information: TITO was launched using: RESULT: Template: 2DKJ.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 : 2451 -209184 -85.35 -520.36 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -85.35 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_2DKJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DKJ-query.scw PDB file : Tito_Scwrl_2DKJ.pdb: