Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAVAYQKAGPITLPEALVDIELDTPVAKGHDLLIRVQAVSVNPVDTKIRKNVSAEQSGWKVLGWDAVGTVEAIGDKVTQFKIGDVVWYAGALNRQGSNSELQLVDERIVGHKPKTLEATEAAALPLTAITAWEMLFDRLQVPKTAP-ANTTILVIGGAGGVGSITIQLLKQLTNLTIIATASRPETKEWVEQLGADYVLDHRQSLAAQIKLLGLSAPLYVFSTTETDQHLSDIVELIAPQGHFGLIDDPDQLDIKPFKSKSVSVHWEFMFTRSMFQTEDMEKQSALLNEVSKLVDEGKIKTTVTQVLSPINAENLTRVHEQIESGSTKGKIVLHGF 4DVJ Chain:A ((24-359)) -KAVGYNKPAPITDDASLLDIELPKPAPAGHDILVEVKAVSVNPVDYKVRRSTPP--TDWKVIGYDAAGIVSAVGPDVTLFRPGDEVFYAGSIIRPGTNAEFHLVDERIVGRKPKTLDWAEAAALPLTSITAWEAFFDRLDVNKPVPGAAPAILIVGGAGGVGSIAVQIARQRTDLTVIATASRPETQEWVKSLGAHHVIDHSKPLAAEVAALGLGAPAFVFSTTHTDKHAAEIADLIAPQGRFCLIDDPSAFDIMLFKRKAVSIHHELMFTRPMFGTPDMSEQGRLLNDVSRLVDEGRLRTTLTNRLSPINAANLKQAHALVESGTARGKVVIEGF

General information: TITO was launched using: RESULT: Template: 4DVJ.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 : 2135 -80023 -37.48 -240.31 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : -37.48 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.589

(partial model without unconserved sides chains): PDB file : Tito_4DVJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DVJ-query.scw PDB file : Tito_Scwrl_4DVJ.pdb: