Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MDFEIRFLSFYVIQVEG---KDEQANKQFKHFQTLDTGEFEESELKDFLDGELKKIVKRKADRHPQS---EQVPTKIGHFIVEPGHELDSNPNYNMFNRARLAETKEDFNELSEQFVRTYLDTSAVRGGVFLVASAVPRKYFDESFVFIMKCDFEPKVARISDASS-LIKKVEMAITTKNMKSIQYPYMPEEGMVEE-GELKIHQASHARYF-----EDFLKFVEYGESMPEIMKNQVMNMVQEHVYETFEDNSEELKQFEHDIEIWEASEKREIQERLDTHQVIEASAQIIEHTPEAQLKMKVGETEIKGLLADFGDSIHLAKVN-GRYVALI-EAETISFEKGSSPVEFYKPEG-LHEVIERIRNKTEQD- 5AFR Chain:A ((8-410)) LANELIEFVAATVTGIKNSPKENEQAFIDYLHCQYLERFQFFLGLFVFLFIVTIDIAIYDANLANSTLLIIKQISAIYNAGNLASIITHGVSSVFGQLIKSDIDKTRRKLDDISKQFQQLHTSIET------------------------------------PDLLAMVPSIIKLAVSKGATSHDYANYLPSNDL-ESMRFLNILQSIANKWFLVLKQTLFLDEVEFWSNFYEVLKSLIEQT-QSQEFQVCLSVLTNAKRFHNLTNLLNEGSLSDKFKLADKYNQFLSSIPI---DEDLQELFPVLASSLKKFRYS-GYPVQRFVVLMDKISQEVMDAILSNLSYGSFLGLYEKSAGMIEEWDDIVQDVNLLIR

General information: TITO was launched using: RESULT: Template: 5AFR.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 : 802 -9242 -11.52 -29.43 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -11.52 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.132

(partial model without unconserved sides chains): PDB file : Tito_5AFR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AFR-query.scw PDB file : Tito_Scwrl_5AFR.pdb: