Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKRRRREITKMKRWIALSKIEFLLTKRQLIYYLLSVGMPTAFYLFFSGIYQDTPGELANFMRDYLISMTAFSMMSTAIFSFPVVLHTDKINNWQKTLRHSPVNMVEYYLSKITSMLVDYLVSILVVFSVGHFVRGVDMSLG-----NWIGAALLLIVGSIAFVALGLTLTLLPTSQLMSVVGNLLYLGLAVLGGLWMPISLFPDWMQVVGKCLP---TYQLMELLKTFLNEGGINLSATVYLLVFSVVLFGLTIYLQGHKENA-------------------------------------------------------------------------- 5MPD Chain:S ((18-492)) LHHSEKKYAEEDQVQELLKVLNEISKTTLTLDPRYIWRSLKDLSSLRNQELLNAETLCFTVNVLYPDSSSFKKNLLKFITSNHKSSVPGSAELRNSYPASFYSVNTEKKTIEVTAEINCFMHLLVQLFLWDSKELEQLVEFNRKVVIPNLLCYYNLRSLNLINAKLWFYIYLSHETLARSSEEINSDNQNIILRSTMMKFLKIASLKHD------------------NETKAMLINLILRDFLNNGEVDSASDFI---------SKLEYPHTDVSSSLEARYFFYLSKINAIQLDYSTANEYIIAAIRKAPHNSKSLGFLQQSNKLHCCIQLLMGDIP------ELSFFHQSNMQKSLLPYYHLTKAVKLG---DLKKFTSTITKYKQLLLKDDTYQLCVRLRSNVIKTGIRIISLTYK---KISLRDICLKLNLDSEQTVEYMVSRAIRDGVIEAKINHEDGFIETTELLNIYDSEDPQQVFDERIKFANQLHDEYLVSMRYPEDKKTQQNEK

General information: TITO was launched using: RESULT: Template: 5MPD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain S - contact count / total energy / energy per contact / energy per residue : 796 -35080 -44.07 -162.41 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain S : 0.56 3D Compatibility (PKB) : -44.07 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.178

(partial model without unconserved sides chains): PDB file : Tito_5MPD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MPD-query.scw PDB file : Tito_Scwrl_5MPD.pdb: