Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMGIINGKEFIDRLNKLENEIWYDGEKIKGNISEHPAFKGIIKTKSSLYELQTKDELIHEMTYCLPGDHNRIGLS---YLQPKTKNDLKKRRTMIEHWARHTHGMMGRSPDYMNTVMMSFASSAELLKDKENCFPEHILDMYEQAAKHDLSFTHTFITPQVNRSQSYFGLSEKPISAKVIDRTEKGLMIHGARLLATQGGLTDEILVFSAPKFFFETDEAYAFSIPSNTKGVKFITRESF----VLSDSSFNHPLSSRYEEMDSIVVFDHVLVPWNRVFFYDNVEAAKDFMTKSS-FHAFTFHQVVIRQMIKIEFLLGVAQLLVDTINVSEYQHIQEKLSEIIVGLETIKALIDKSENDAQLDEFGYMRPCLIPLQVISTIIPKLYPRFTEIIQLIGASGM--VTLPTENAFDSEIREDLDQYLQATN-TNAEERVKIFRLAWDLTMSSFGTRQTHYERYFFGDPIRISSRLYTSYPKQEQLNMIKTFLHADTEH
4OO2 Chain:A ((21-495))---LTGEEYLESLRDAR-EVYLDGSRVK-DVTAHPAFHNPARMTARLYD--SLHDPAQKAVLTAPTDAGD-GFTHRFFTAPRSVDDLVKDQAAIASWARKSYGWMGRSPDYKASFLGTLGANADFYE----PFADNARRWYRESQEKVLYWNHAFLHPPVDRS----EVGD--VFIHVERETDAGLVVSGAKVVATGSALTHAAFISHWGLPIKDRKFALVATVPMDADGLKVICRPSYSANAATTGSPFDNPLSSRLDENDAILVLDQVLIPWENVFVYGNLGKVHLLAGQSGMIERATFHGCT-RLAVKLEFIAGLLAKALDITGAKDFRGVQTRLGEVLAWRNLFWSLSDAAARNPVPWKNGTLLPNPQAGMAYRWFMQIGYPRVLEIVQQDVASGLMYVNSSTEDFRNPETGPYLEKYLRGSDGAGAVERVKVMKLLWDAVGSDFGGRHELYERNYSGNHENTRIELLLSQTASGKLDSYMDFAQA----


General information:
TITO was launched using:
RESULT:

Template: 4OO2.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 : 2509 -45037 -17.95 -97.91
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain A : 0.78

3D Compatibility (PKB) : -17.95
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.78
QMean score : 0.450

(partial model without unconserved sides chains):
PDB file : Tito_4OO2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4OO2-query.scw
PDB file : Tito_Scwrl_4OO2.pdb: