Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDPHHPHIQTHNAWVEFPIFDAKSRSLKKAVLGKAGGTIGRNNSNVVVIEALRDITMELNLGDRVGLVGHNGAGKSTLLRLLSGIYEPTRGWA---------------KVTGRVAPVFDLGIGMDPEISGYENIIIRGLFLGQTRKQM--QAKVDEIAEFTELGEYLSMPLRTYSTGMRVRLAMGVVTSIDPEILLLDEGIGAVDADFLRKAQSRLQNLVERSGILVFASHSNEFLARLCKTAIWIDHGVIRLAGGIEEVVRAYEGEDAARHVREVLAETQADRQNVQG 4YMS Chain:J ((14-240)) -------------------------------------------------LEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQ-HFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIK-LSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSKIL------------

General information: TITO was launched using: RESULT: Template: 4YMS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -135678 for 1674 contacts (-81.1/contact) + 2D Compatibility (PS) -22454 + (NN) -7356 + (LL) 3392 1D Compatibility (HY) -15600 + (ID) 3000 Total energy: -180696.0 ( -107.94 by residue) QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_4YMS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMS-query.scw PDB file : Tito_Scwrl_4YMS.pdb: