Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRNHICNIGGKNVGKPIISFDQVVKRYDDETVLKKVSFEIEQGKFYTLLGPSGCGKTTILRIIAGFTEATEGDIYFEGKRLNDLPANKRQVNTVFQDYALFPHMNVFDNVAFGLKIKKMSKSDIEKKVKDALRMVQLPGYEKREISEMSGGQRQRVAIARAIVNEPKVLLLDEPLSALDLKLRTDMQYELRDLQQRLGITFIFVTHDQEEALAMSDEIFVMNKGKIVQSGTPVDIYDEPINHFVADFVGES--NIVDGVMIEDNL--VEFVGKQFECV--DGGMRLNEPVEVV--LRPEDLTITTPDKGKLVVTVDTQLFRGVHYEIICYDEQQNEWMVHSTKKAKEGSKVGLAFEPEDIHVMRFNESEEEFDARLDSYEE 4XIG Chain:S ((5-290)) ------------------VSIQNVVKRYDKTTVVHGVSLDIEPGEFVVLVGPSGCGKSTTLRMVAGLEEISGGTIRIDGRVINDLAPKDRDVAMVFQNYALYPHLNVRDNISFGLRLKRTKKSVIDAAVKTAADILGLQPLLERKPSDLSGGQRQRVAMGRAIVRDPKVFLFDQPLSNLDAKLRTQMRAEIKRLHQRLGTTVIYVTHDQVEAMTLADRIVVMRDGLIEQIGKPMDLFLHPANTFVASFIGSPPMNLMPARIAVDSTQHVELNGGNRISLLPRAGTHLAPGQEVVFGIRPEDVTL------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XIG.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 : 1361 -167487 -123.06 -602.47 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain S : 0.79 3D Compatibility (PKB) : -123.06 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_4XIG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XIG-query.scw PDB file : Tito_Scwrl_4XIG.pdb: