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



Input alignment information:
Query sequenceMSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIR---EGLCQLTPAGSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK
2VFI Chain:B ((6-246))--------FVAANWKCNGTLESIKSLTNSFNNL----DFDPSKLDVVVFPVSVHYDHTRKLLQSKFSTG---IQNVSKF-GNGSYTGEVSAEIAKDLNIEYVIIGHFERRKYFHETDEDVREKLQASLKNNLKAVVCFGESLEQREQNKTIEVITKQVKAFVDLI--DNFDN-VILVYEPLWAIGTGKTATPEQAQLVHKEIRKIVKDTCGEKQA-NQIRILYGGSVNTENCSSLIQQEDIDGFLVGNASL-KESFVDIIKS-----


General information:
TITO was launched using:
RESULT:

Template: 2VFI.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 : 1250 -89917 -71.93 -377.80
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain B : 0.80

3D Compatibility (PKB) : -71.93
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.80
QMean score : 0.542

(partial model without unconserved sides chains):
PDB file : Tito_2VFI.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2VFI-query.scw
PDB file : Tito_Scwrl_2VFI.pdb: