Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIEIRNVSKNFNAFKALDDINLDIQSGELVALLGPSGCGKTTLLRIIAGLETPDAGNIVFHGEDVSQHDVR----DRNVGFVFQHYALFRHMTVFDNVAFG-LRMKPKGERPGESAIKAKVHELLNMVQLDWLADRYPEQLSGGQRQRIALARALAVEPKILLLDEPFGALDAKVRKELRRWLARLHEEINLTSVFVTHDQEEAMEVADRIVVMNKGVIEQIGSPGEVYENPASDFVYHFLGDSNRLQLGNDQHLLFRPHEVSLSRSAVAEHRAAEVRDIRPLGAITRVTLKVDGQDELIEAEVVKDHDSLAGLARGETLYFKPKAFQPVANL 4YMV Chain:J ((2-236)) --IFVNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEEL----AVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANE-GMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLSKIL----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YMV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -163527 for 1891 contacts (-86.5/contact) + 2D Compatibility (PS) -24769 + (NN) -7070 + (LL) 6708 1D Compatibility (HY) -23600 + (ID) 4550 Total energy: -216808.0 ( -114.65 by residue) QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_4YMV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMV-query.scw PDB file : Tito_Scwrl_4YMV.pdb: