Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAELRMEHIYKFYDQKEPAVDDFNLHIADKEFIVFVGPSGCGKSTTLRMVAGLEEISKGDFYIEGKRVNDVAPKDRDIAMVFQNYALYPHMTVYDNIAFGLKLRKMPKPEIKKRVEEAAKILGLEEYLHRKPKALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVQMRAEIIKLHQRLQTTTIYVTHDQTEALTMATRIVVMKDGKIQQIGTPKDVYEFPENVFVGGFIGSPAMNFFKGKLTDGLIKIGSAALTVPEG--KMKVLREKGY---IGKEVIFGIRPEDIHDELIVVESYKNSSIKAKINVAELLGSEIMIYSQIDNQDFIARIDARLDIQSGDELTVAFDMNKGHFFDSETEVRIR 4XTC Chain:S ((2-362)) VASVSIQNVVKRYD-KTTVVHGVSLDIEPGEFVVLVGPSGCGKSTTLRMVAGLEEISGGTIRIDGRVINDLAPKDRDVAMVFQNYALYPHLNVRDNISFGLRLKRTKKSVIDAAVKTAADILGLQPLLERKPSDLSGGQRQRVAMGRAIVRDPKVFLFDQPLSNLDAKLRTQMRAEIKRLHQRLGTTVIYVTHDQVEAMTLADRIVVMRDGLIEQIGKPMDLFLHPANTFVASFIGSPPMNLMPAR-----IAVDSTQHVELNGGNRISLLPRAGTHLAPGQEVVFGIRPEDV--TLDGVEGSERAQIKATVDIVEPLGSESILHATVGDHSLVVKVGGLNEVHPGDPVTLHVDLTRVHLFDAQSQASI-

General information: TITO was launched using: RESULT: Template: 4XTC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 1865 -146506 -78.56 -411.53 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain S : 0.86 3D Compatibility (PKB) : -78.56 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_4XTC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XTC-query.scw PDB file : Tito_Scwrl_4XTC.pdb: