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


Input alignment information:
Query sequenceMRCFMSQSHIRIRGARTHNLKNVSLDIPRDKFVVITGLSGSGKSSLAFDTLYAEGQRRYVESLSAYARQFLSQMEKPEVDSIEGLSPAIAIEQKSTSHNPRSTVGTITEIYDYLRLLYARVGTPYCPEHDLPMVAQTVSEMVDAVKNLEEGTALMLLASVVRERKGEYSNLFEQLQGQGFVRARVDGEIIDIDTPPELDKKKKHTIEVVVDRFKVRDDLGNRIAESFETALRLG-GDIAVLSWMNGEHPDRVFSAKHSCPECDRAVAELEPRLFSFNNPFGACPVCDGLGTRSHFSPEKLIPNPELAISEGAIRGWDRQRPYYY-SMLQKVADHFGFQLDTPWNQLDKDTQKKFLQGTGKEKIDLSYIDERGRKHTRVQPFEGILPHLERRYRETESNYVRDDLAQYLSNAACDACGGSRLNEISRHVRVKDKTIADITRMSIGDAESYYQGINLEGAKGEIADKIFKEIRERLHFLVSVGLNYLSLARSAETLSGGEAQRIRLASQIGAGLMGVMYVLDEPSIGLHQRDNDRLLQTLIRLRDLGNTVLVVEHDEDAIRAADHIIDIGPGAGVHGGVVIAEGTYDELAKHADSLTGQYLSGKLKIEVPKQRTQPPKPEEKIKLSGAAGHNLKNVDLTIPLGIMTCVTGVSGSGKSTLINRTLLPLAATQLNGATTLTAEKFDSIDGLQHLDKVVDIDQSPIGRTPRSNPATYTGLFTPIRELFAQTPEAKARGYSAGRFSFNVKGGRCEACEGDGMIKVAMHFLPDMYVPCDACHGKRYNRETLEVGYKGKNISDVLEMTIEDAAEFFSAIPVIHRRLETLTQVGLGYIRLGQAATTLSGGEAQRVKLARELAKRDTGKTLYILDEPTTGLHFHDIAKLLDILHELRNKGNTIVVIEHNLDVIKTADWVVDLGPEGGSGGGMIIAEGTPEQVAEVEISHTGRFLKPMLKQ
2R6F Chain:A ((24-958))---------IIVKGARAHNLKNIDVEIPRGKLVVLTGLSGSGKSSLAFDTIYAEGQRRYVESLSAYARQFLGQMEKPDVDAIEGLSPAISIDQKTTSRNPRSTVGTVTEIYDYLRLLFARIGRPICPTHGIEIQSQTIEQMVDRLLSYPERTKMQILAP----------------------------------------------IDVVVDRIIIKDGIAARLADSLETALKLADGKVVVDVIGEGE---LLFSEKHACPYCGFSIGELEPRLFSFNSPFGACPDCDGLGAKLEVDLDLVIPNDELTLKEHAIAPWEP----YYPQLLEAVCRHYGIPMDVPVKDLPKEQLDKILYGSGGEPIYFRYTNDFGQVREQYIAFEGVIPNVERRYRETSSDYIREQMEKYMAEQPCPTCQGYRLKKESLAVLVGGKHIGEVTAMSVTEALAFFDGLELTEKEAQIARLILREIRDRLGFLQNVGLDYLTLSRSAGTLSGGEAQRIRLATQIGSRLTGVLYVLDEPSIGLHQRDNDRLIATLKSMRDLGNTLIVVEHDEDTMLAADYLIDIGPGAGIHGGEVVAAGTPEEVMNDPNSLTGQYLSGKKFIPIPAERRRPDG--RWLEVVGAREHNLKNVSVKIPLGTFVAVTGVSGSGKSTLVNEVLYKALAQKLHRAKAKPGEHRD-IRGLEHLDKVIDIDQSPIGRTPRSNPATYTGVFDDIRDVFASTNEAKVRGYKKGRFSFNVKGGRCEACHGDGIIKIEMHFLPDVYVPCEVCHGKRYNRETLEVTYKGKNIAEVLDMTVEDALDFFASIPKIKRKLETLYDVGLGYMKLGQPATTLSGGEAQRVKLAAELHRRSNGRTLYILDEPTTGLHVDDIARLLDVLHRLVDNGDTVLVIEHNLDVIKTADYIIDLGPEGGDRGGQIVAVGTPEEVAEVKESHTGRYLKPILER


General information:
TITO was launched using:
RESULT:

Template: 2R6F.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 : 4887 81486 16.67 92.28
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain A : 0.88

3D Compatibility (PKB) : 16.67
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.88
QMean score : 0.505

(partial model without unconserved sides chains):
PDB file : Tito_2R6F.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2R6F-query.scw
PDB file : Tito_Scwrl_2R6F.pdb: