Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQRNHICNIGGKNVGKPIISFDQVVKRYDDETVLKKVSFEIEQGKFYTLLGPSGCGKTTILRIIAGFTEATEGDIYFEGKRLNDLPANKRQVNTVFQDYALFPHMNVFDNVAFGLKIKKMSKSDIEKKVKDALRMVQLPGYEKREISEMSGGQRQRVAIARAIVNEPKVLLLDEPLSALDLKLRTDMQYELRDLQQRLGITFIFVTHDQEEALAMSDEIFVMNKGKIVQSGTPVDIYDEPINHFVADFVGES--NIVDGVMIEDN-L-VEF-VGKQFECV--D-GGMRLNEPVEVVLRPEDLTITTPD---KGKLVVTVDTQLFRGVHYEIICYDEQQNEWMVH--STKKAKEGSKVGLAFEPEDIHVMRFNESEEEFDARLDSYEE 4TQU Chain:T ((3-360)) ----------------ASVSIQNVVKRYDKTTVVHGVSLDIEPGEFVVLVGPSGCGKSTTLRMVAGLEEISGGTIRIDGRVINDLAPKDRDVAMVFQNYALYPHLNVRDNISFGLRLKRTKKSVIDAAVKTAADILGLQPLLERKPSDLSGGQRQRVAMGRAIVRDPKVFLFDQPLSNLDAKLRTQMRAEIKRLHQRLGTTVIYVTHDQVEAMTLADRIVVMRDGLIEQIGKPMDLFLHPANTFVASFIGSPPMNLMPARIAVDSTQHVELNGGNRISLLPRAGTHLAPGQEVVFGIRPEDVTLDGVEGSERAQIKATVDIVEPLGSESILHA-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 -149805 -89.01 -434.22 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain T : 0.82 3D Compatibility (PKB) : -89.01 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.487

(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: