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



Input alignment information:
Query sequenceMSMHSDQINPDSNENQDPNNLIDQFFSSKGVTIPSDFKSGFVAIVGRPNVGKSTLMNHLLGQKLSITSRKPQTTRHKIIGIDSREKMQAVYVDTPGMHKKEVRAINKMMNRAAHSALRDVNLVLFVIDAHKW-TQNDDLVLDKLKNADMPVILVINKADTFGDKREILPLIQERAKLMNFAEIVPVSALRGANLEHLSETIEKYLPYQPPLYSFDQITDRSERFLASEIIREKIMRQLGEELPYDLTVQIESFKTEEATVNEKTGRLKPACTYIDATIFVDRPGQKAIVIGEKGAKLKTIGMDARKDMEKMFEQKIMLTLWVKVKGGWSDDERALKSLGYSDI
4DCU Chain:A ((26-193))-----------------------------------------VAIVGRPNVGKSTIFNRIAGERIS-----------RIYSSAEWLNYDFNLIDTGG-------PFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKILYRTKKPVVLAVNKL---------YDFYS-----LGFGEPYPISGTHGLGLGDLLDAVAEHFKNIP--------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4DCU.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 : 664 -70652 -106.40 -523.35
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain A : 0.66

3D Compatibility (PKB) : -106.40
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.66
QMean score : 0.558

(partial model without unconserved sides chains):
PDB file : Tito_4DCU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4DCU-query.scw
PDB file : Tito_Scwrl_4DCU.pdb: