Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTSQGEMRGRLRSNASSTGILSSNTYAKHTLKCSLKPEAMELIRCRHLNIQTTHVKAIELVSFNEAKNRLITKKVIGKELFHALWNPTNLLGRLQGHRLQNPDTLV--------HRITEIGTWLRKY--HNSSAGLTPESTDGS--WLVTAFAQKIRGIRASKL-IPEPNLKKIEQKYSTELQKLTTPDYLSFNNAFPCQVHGDFVLYNVLVDSQQNMHILDFSKTR-ISSN----------------------------LEDVARFYSTLWAIAQTNRT---RRSLLRELPTRFLKAYGLPPLIAETPYFRANLVYNFLAHLEAQHRGRKTFSWNTNREMGQITRAGMKWIYQQI---- 1RJB Chain:A ((572-947)) -----------YESQLQMVQVTGSSDN----EYFYVDFREYEYDLKWEFP-----------------RENLEFGKVLGSGAFGKVM-----NATAYGISKTGVSIQVAVKMLKEREALMSELKMMTQLGSHENIVNLLGACTLSGPIYLIFEYCCY--GDLLNYLRSKREKFLTFEDLLCFAYQVAKGMEFLEFKS----CVHRDLAARNVLVTHGKVVKICDFGLARDIMSDSNYVVRGNARLPVKWMAPESLFEGIYTIKSDVWSYGILLWEIFSLGVNPYPGIPVDANFYKLIQNGFKMDQP-FYAT----EEIYIIMQSC-----------WAFDSRK----RPSFPNLTSFLGCQL

General information: TITO was launched using: RESULT: Template: 1RJB.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 : 1231 -39427 -32.03 -158.34 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -32.03 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.107

(partial model without unconserved sides chains): PDB file : Tito_1RJB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1rjb-query.scw PDB file : Tito_Scwrl_1RJB.pdb: