Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MGVQGFQDYIEKHCPSAVVPVE------LQKLARGSLVGGGRQRPPQTPLRLLVDADNCLHRLYGGFYTDWV-SGGQWN--HMLGYLAALAKACFGGNIELFVFFNGALEKARLHEWVKRQGNERQTAQQIVSHVQNKGTPPPKVWFLPPVCMAHCIRLALIRFHVKVAQSIEDHHQEVIGFCRENGFHGLVAYDSDYALCNIPYYFSAHALKLSRNGKSLTTSQYLMHEVAKQLDLNPNRFPIFAALLGNHILPDEDLASFHWSLLGPEHPLASLKVRAHQLVLPPCDVVIKAVADYVRNIQDTSD--LDAIAKDVFQHSQSRTDDKVIRFKRAIGYYSATSKPMSFHPPHYLAARPGPFGMPG---MVPPHVPPQMLNIPQTSLQAKPVAPQVPSPGGAPGQGPYPYSLSEPAPLTLDTSGKNLTEQNSYSNIPHEGKHTPLYERSSPINP-AQSGSPNHVDSAYFPGSSTSSSSDNDEGSGGATNHISGNKIGWEKTGSHSEPQARGDPGDQTKAEGSSTASSGSQLAEGKGSQMGTVQPIPCLLSMPTRNHMDITTPPLPPVAPEVLRVAEHRHKKGLMYPYIFHVLTKGEIKIAVSIEDEANKDLPPAALLYRPVRQYVYGVLFSLAESRKKTERLAFRKNRLPPEFSPVIIKEWAAYKGKSPQTPELVEALAFREWTCPNLKRLWLGKAVEDKNRRMRAFLACMRSDTPAMLNPANVPTHLMVLCCVLRYMVQWPGARILRRQELDAFLAQALSPKLYEPDQLQEL--KIENLDPRGIQLSALFMSGVDMALFANDACGQPIPWEHCCPWMYFDGKLFQSKLLKASREKTPLIDLCDGQADQAAKVEKMRQSVLEGLSFSRQSHTLPFPPPPALPFYPASAYPRHFGPVPPSQGRGRGFAGVCGFGGPYGETVATGPY-RAFRVAAASGHCGAFSGSDSSRTSKSQGGVQPIPSQGGKLEI--AGTVVGHWAGSRRGRGGRGPFPLQVVSVGGPARGRPRGVISTPVIRTFGRGGRYYGRGYKNQAAIQGRPPYAASAEEVAKELKSKSGESKSSAMSSDGSLAENGVMAEEKPAPQMNGSTGDARAPSHSESALNNDS-KTCNTNPHLNALSTDSACRREAALEAAVLNKEE 5K6L Chain:A ((5-798)) KVILDWNEYIEAARSVVSEGCVLLENNGTLPLEKGAVVSIFG----------------------RIQTHYYKSGTGSGGMVNVTHVVGVPEGLKLS---EHVTV----NEELENI-YKEWEEENPFDEGLGW---------GTEP---WSQP--------EMELTDEIVSNASAKSD--VAIVIIGRTAG------EDKDFSDVAGAYKLSETEEDMLRRVRKHFDKMVVLLNVGSLMDL---------------------------------NVISEINPDALMVIWQGGMIGGLGTADVLTGKVNPSGKLTDTIAYEINDYPSTENFGDPVRDYYAEDIYVGYRYFETFEKSKVRY----PFGYGISYTEFEHTVGEFTADINSRTFTASC---TVKNTGSVAGKDVAQFYVSAPQ----GKLGKP-------------EKVLVAFKKTGILNPGKEEKITVTVPFDRF-------ASFDDTGVTGAESCFVL------------------EAGEYTVYEGKNVRESYKE----------------GSFTLEENIVTEKLSKALAP-MESFKRMKASENSDG--------TLSVKYEDVPVSDVDEKKRRLDNMPVEIPQDFTARYS-LKDVLSGSVDMEKFI---ARLSDDDLACIVRGEG--MGSSLVTAGT--AAAFG--------------GVSEYLRKMDIPAVCCD-DGPSGMRLDSGATAF-----------SMPNGTMLAST-----FNPDVIERMYGFTSLEMIYNKVECLLGPGMNIHRNPLNGRNFEYFSED--------------PYLNGTIA-SAMLKGLHK------------------------------------------------YGSDGVAKHFCCNNQELGRQACDSVV-------SQRALREIYLKGFEIAVKEGGCKAFMTTYAQVNGMWTAGNYDLNTRILRDEWGFKGIVMTDWWAQVNDRGGEPT---------------------------------------KNNTAAMVR--------------------------------AQNDLYMVTANAAM--NSANDNTLSQLSEGKLNRAELQRCAMNICEYAMNT-MAMKRLCRNDIKVEIAGR

General information: TITO was launched using: RESULT: Template: 5K6L.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 : 5143 221730 43.11 287.96 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 43.11 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.101

(partial model without unconserved sides chains): PDB file : Tito_5K6L.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5k6l-query.scw PDB file : Tito_Scwrl_5K6L.pdb: