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


Input alignment information:
Query sequenceMSKTNTRPSHGPAGGPGHGGPGRNLGVKGEKP--KNFWGTVRRLFGYMSKRMVAIIAVFVLAIAAVIFQIQTPKVLGKATTEIFKGVMAGAQQMQQGQQVTKFPIDFDKIAQIIATVIVMYLISAVFNFLQQFIMTRVSQRTVYELRHDLEAKMNRVPISYYDTHTNGDIMSRAINDMDNIASTLQQNLTQFVTSAVTLIGVIVMMLSISWQLTLVALLMIPLSLIIVMIVAPKSQVFFADQQKSLGLLNNQVEETYGGHTIVKTFNHTEKDQEVFEKENQNLYAAGWKAQFISAIIMPLMNFVKNLGYVFVAVLGGVKVANGNMTLGDVQAFLQYTTQFSQPITQLASLMNTIQSTVASAERVFEVLDEEEMSNEKSGLPEEKDTPYKVRFENVQFGYTPDNLLMTDFNLDVKPGEMVAIVGPTGAGKTTLINLLERFYDVSGGSIRYDGVDTRDLSRDELRAQFSMVLQDTWLFTGSIYDNIKYGNDDATDEQIIEAAKAAHVDDFVRKLPEGYNTVLNEDASNISQGQRQLITIARAFLANPDVLILDEATSSVDTRTEILIQKAMNRLLENRTSFVVAHRLSTIRDADNIIVMNHGSIVETGNHDTLMEKDGFYADLYNSQFSEEEAS
4Q4J Chain:B ((14-591))-----------------------------EKPALKNPTATLRRLLGYLRPHTFTLIMVFVFVTVSSILGVLSPYLIGKTIDVVF------------------VPRRFDLLPRYMLILGTIYALTSLLFWLQGKIMLTLSQDVVFRLRKELFEKLQRVPVGFFDRTPHGDIISRVINDVDNINNVLGNSIIQFFSGIVTLAGAVIMMFRVNVILSLVTLSIVPLTVLITQIVSSQTRKYFYENQRVLGQLNGIIEEDISGLTVIKLFTREEKEMEKFDRVNESLRKVGTKAQIFSGVLPPLMNMVNNLGFALISGFGGWLALKDIITVGTIATFIGYSRQFTRPLNELSNQFNMIQMALASAERIFEILDLEEEKDDPDAV-ELREVRGEIEFKNVWFSYDKKKPVLKDITFHIKPGQKVALVGPTGSGKTTIVNLLMRFYDVDRGQILVDGIDIRKIKRSSLRSSIGIVLQDTILFSTTVKENLKYGNPGATDEEIKEAAKLTHSDHFIKHLPEGYETVLTDNGEDLSQGQRQLLAITRAFLANPKILILDEATCNVDTKTEKSIQAAMWKLMEGKTSIIIAHRLNTIKNADLIIVLRDGEIVEMGKHDELIQKRGFYYELFTSQY------


General information:
TITO was launched using:
RESULT:

Template: 4Q4J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2296 6747 2.94 11.71
target 2D structure prediction score : 0.71
Monomeric hydrophicity matching model chain B : 0.83

3D Compatibility (PKB) : 2.94
2D Compatibility (Sec. Struct. Predict.) : 0.71
1D Compatibility (Hydrophobicity) : 0.83
QMean score : 0.409

(partial model without unconserved sides chains):
PDB file : Tito_4Q4J.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4Q4J-query.scw
PDB file : Tito_Scwrl_4Q4J.pdb: