Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVEMALKNVYKKYDNAENYSVTDFNLSIKDREFIVFVGPSGCGKSTTLRMIAGLEDISEGELNIGGKVMND----VAPKDRDIAMVFQNYALYPHMTVFDNMAFG-LKLRKYDKADIKKRVDNAAEILGLTEYLKRKPAALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVAMRAEIAKLHQRLET---TTIYVTHDQTEAMTMADRIVIMKDGFIQQIGTPKEVYDTPVNMFVAGFIGSPAMNFFNVTLKNGVITDGHGLKLRIPEGKNKVLVEKGYEGKEVIFGIRPEDIHSEQVALEASPEAVVKSEVVVSELLGAETMLYTKTGSTEFISKVDARDFHKPGEIVDLAFNISKGHFFDKETEQVIKLP 4YMV Chain:A ((4-224)) -----VNDVYKNFGSLE--VLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPE----MVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIF-------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YMV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1076 -10902 -10.13 -51.18 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -10.13 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.574

(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: