Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVILEANKIRKSYGNKLNKQEVLKGIDIHIEKGEFVSIMGASGSGKTTLLNVLSSIDQVSHGTIHINGNDMTAMKEKQLAEFRKQHLGFIFQDYNLLDTLTVKENILL-PLSITKLSKKEANRKFEEVAKELGIYELRDKYPNEISGGQKQRTSAGRAFIHDPSIIFADEPTGALDSKSASDLLNKLSQLNQKRNATIIMVTHDPVAASYCG-RVIFIKDGQMYTQLNKGGQDRQTFFQDIMKTQGVLGGVQHEH 4YMT Chain:J ((4-226)) -----VNDVYKNFGS----LEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGK-VNINKVR-QKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANE-GMTMVVVTHEMGFAREVGDRVIFMDDGVIVEE----GTPEEIFYR----------------

General information: TITO was launched using: RESULT: Template: 4YMT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1141 -56225 -49.28 -254.41 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain J : 0.80 3D Compatibility (PKB) : -49.28 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.458

(partial model without unconserved sides chains): PDB file : Tito_4YMT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMT-query.scw PDB file : Tito_Scwrl_4YMT.pdb: