Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPRIPVINTSHLDRIDELLVDNIDTGEFKLHRSVFTDEALFDLEMKYIFEGNWVYLAHESQIPNNNDYYTTYIGRQPIIIARNRNGELNAMMNACSHRGAQLCRYKRGNKATYTCPFHGWTFNNSGKLLKVKDPTDAGYSDCFNQDGSHDLKKVARFESYKGFLFGSLNPDVPSLEEFLGETTKIIDMIVDQSEHGLEVLRGSSTYTYEGNWKLTAEN-GADGYHVSAVHWNYAATTQHRKETQAAD----NIRAMSAGSWGKQGGGSYGFENGHMLLWTQWANPEDRPNFPKADEYTEKYG--EAMSKWMIERSRNLCLYPNVYLMDQFGSQIRVLRPLSVNRTEVTIYCI----AP---KGEARARRIRQYEDFFNASGMATPDDLEEFRACQAGYAGIALEWNDMCRGSKHWIYGPDDAANEIGLKPMLSGIKTEDEGLYLAQHQYWLKTMKHAIATEKEIADQGETA 3EN1 Chain:A ((30-384)) ----------------------------RIDPRIYTDEDLYQLELERVFARSWLLLGHETQIRKPGDYITTYMGEDPVVVVRQKDASIAVFLNQCRHRGMRICRADAGNAKAFTCSYHGWAYDTAGNLVNV--PYEAESFACLNKKEWSPLK--ARVETYKGLIFANWDENAVDLDTYLGEAKFYMDHMLDRTEAGTEAIPGVQKWVIPCNWKFAAEQFCSDMYHAGTTSHLSGILAGLPE--EMADLAPPTVGKQYRASWGGHGSGFYVGDPNLMLAIMGPKVTSYWTEGPASEKAAERLGSVERGSKLMVE---HMTVFPTCSFLPGINT-VRTWHPRGPNEVEVWAFTVVDADAPDDIKEEFRRQTLRT----FSAGGVFEQDDGENWVEIQ----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3EN1.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 : 1778 -62062 -34.91 -183.07 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -34.91 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_3EN1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EN1-query.scw PDB file : Tito_Scwrl_3EN1.pdb: