Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKPIIEFKNVSKVFEDSNTKVLKDINFELEEGKFYTLLGASGSGKSTILNIIAGLLDATTGDIMLDGVRINDIPTNKRDVHTVFQSYALFPHMNVFENVAFPLRLRKIDKKEIEQRVAEVLKMVQLEGYEKRSIRKLSGGQRQRVAIARAIINQPRVVLLDEPLSALDLKLRTDMQYELRELQQRLGITFVFVTHDQEEALAMSDWIFVMNDGEIVQSGTPVDIYDEPINHFVATFIGES--NILPGTMIEDYLV--EF-NGKRFEAV--D-GGMKPNEPVEVVIRPEDLRITLPE---EGKLQVKVDTQLFRGVHYEIIAYDELGNEWMIH--STRKAIVGEEIGLDFEPEDIHIMRLNETEEEFDARIEEYVEIEEQEAGLINAIEEERDEENKL 4TQU Chain:T ((3-360)) ---ASVSIQNVVKRYDK--TTVVHGVSLDIEPGEFVVLVGPSGCGKSTTLRMVAGLEEISGGTIRIDGRVINDLAPKDRDVAMVFQNYALYPHLNVRDNISFGLRLKRTKKSVIDAAVKTAADILGLQPLLERKPSDLSGGQRQRVAMGRAIVRDPKVFLFDQPLSNLDAKLRTQMRAEIKRLHQRLGTTVIYVTHDQVEAMTLADRIVVMRDGLIEQIGKPMDLFLHPANTFVASFIGSPPMNLMPARIAVDSTQHVELNGGNRISLLPRAGTHLAPGQEVVFGIRPEDVTLDGVEGSERAQIKATVDIVEPLGSESILHA-TVGDHSLVVKVGGLNEVHPGDPVTLHVDLTRVHLFDAQSQA----------------------------------

General information: TITO was launched using: RESULT: Template: 4TQU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain T - contact count / total energy / energy per contact / energy per residue : 1683 -158977 -94.46 -460.80 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain T : 0.80 3D Compatibility (PKB) : -94.46 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_4TQU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TQU-query.scw PDB file : Tito_Scwrl_4TQU.pdb: