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



Input alignment information:
Query sequenceMKTVLELKNVTKNIR--GRTI--IDDLSFTIREGEVFGFLGPNGAGKTTTIRMMVGLMKLSKGDVLICGQSIT----KEYAKAIKHIGAIVENPELYKFLSGYKNLQ---QFARMVKGVTKEKIDEVVELVGLTDRIHDKVKTYSLGMRQRLGLAQCLLHDPKVLILDEPTNGLDPAGIREIRDHLKKLTRERGMAVIVSSHLLSEMELMCDRIAILQKGKLIDIQNVKDENIDENDTYFFQVEQPSEAATVLNQYDLLSKTNGVEIKLAKEEVPAVIELLVMQQIRIYEVKVITKSLEDRFLEMTGETKEEVQHA
3DHW Chain:C ((1-227))---MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDEATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSE--------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3DHW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1104 -168117 -152.28 -778.32
target 2D structure prediction score : 0.49
Monomeric hydrophicity matching model chain C : 0.73

3D Compatibility (PKB) : -152.28
2D Compatibility (Sec. Struct. Predict.) : 0.49
1D Compatibility (Hydrophobicity) : 0.73
QMean score : 0.508

(partial model without unconserved sides chains):
PDB file : Tito_3DHW.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3DHW-query.scw
PDB file : Tito_Scwrl_3DHW.pdb: