Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHGD------VAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQ-LAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATVKSRWSGSHQFEQLSGS--ILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMT-GQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARSLPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 6FNJ Chain:B ((14-293)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EIDVSYVKIEEVIGAGEFGEVCRGRLKAPGKKESCVAIKTLK-GGYTERQRREFLSEASIMGQFEHPNIIRLEGVVTNSMPVMILTEFMENGALDSFLRLNDGQFTVIQLVGMLRGIASGMRYLAEMSYVHRDLAARNILVNSNLVCKVSDFGL-------------------IPIRWTAPEAIAFRK---FTSASDVWSYGIVMWEVMSFGERPYWDMSNQD-VINAIEQDYRLPP----PPDCPTSLHQLMLDCWQKDRNARPRFPQIVSALDKMIRNPASLKIVA--------------------------------------

General information: TITO was launched using: RESULT: Template: 6FNJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1244 -33382 -26.83 -133.53 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -26.83 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.151

(partial model without unconserved sides chains): PDB file : Tito_6FNJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6fnj-query.scw PDB file : Tito_Scwrl_6FNJ.pdb: