Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEFFSIGEVSKLFNVKISALRYYDEIGLLKPEYKDEQTNYRYYSTQQFERLDTIKYLRALGLPINKLLDF--YNSQNTNTLLH---LLKSQQVEIDRKKKELERIERKISRRITHIEDAVNMPLHQISKIKLPAMRVAYLQHEYVLGHDIEHSLAELRTHLNVNEDIFIGKIGLSISAANVKAKQFDKYSSIFMILEDENEKTSSEIIFPSREYLQIRFKGSHPEAEPYYKKLLAYMKEHHYEVAGDSIEITLIDYGITNNLDNYVTEILLPIK 3GPV Chain:A ((21-133)) ---YYTIGQVAKMQHLTISQIRYYDKQGLF-PFLQRNEKGDRIFNEEALKYLEMILCLKNTGMPIQKIKQFIDWSMEGDSTILHRLKLMKQQEANVLQLIQDTEKNLKKIQQKIAKY--------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GPV.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 : 280 -51422 -183.65 -476.13 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -183.65 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.701

(partial model without unconserved sides chains): PDB file : Tito_3GPV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GPV-query.scw PDB file : Tito_Scwrl_3GPV.pdb: