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



Input alignment information:
Query sequenceMERTTNFNAGPAALPLEVLQKAQKEFIDFNESGMSVMELSHRSKEYEAVHQKAKSLLIELMGIPEDYDILFLQGGASLQFSMLPMNFLTPEKTAHFVMTGAWSEKALAETKLFGNTSITATSETDNYSYIPEVDLTDVKDG-AYLHITSNNTIFGTQWQEFPN-SPIPLVADMSSDILSRKIDVSKFDVIYGGAQKNLGPSGVTVVIMKKSWLQNENANVPKILKYSTHVKADSLYNTPPTFAIYMLSLVLEWLKENGGVEAVEQRNEQKAQVLYSCIDESNGFYKGHARKDSRSRMNVTFTLRDDELTKTFVQKAKDAKMIGLGGHRSVGGCRASIYNAVSLEDCEKLAAFMKKFQQENE
2BIG Chain:B ((4-359))--QVFNFNAGPSALPKPALERAQKELLNFNDTQMSVMELSHRSQSYEEVHEQAQNLLRELLQIPNDYQILFLQGGASLQFTMLPMNLLTKGTIGNYVLTGSWSEKALKEAKLLGETHIAASTKANSYQSIPDFSEFQLNENDAYLHITSNNTIYGTQYQNFPEINHAPLIADMSSDILSRPLKVNQFGMIYAGAQKNLGPSGVTVVIVKKDLL---VEQVPTMLQYATHIKSDSLYNTPPTFSIYMLRNVLDWIKDLGGAEAIAKQNEEKAKIIYDTIDESNGFYVGHAEKGSRSLMNVTFNLRNEELNQQFLAKAKEQGFVGLNGHRSVGGCRASIYNAVPIDACIALRELMIQFKE---


General information:
TITO was launched using:
RESULT:

Template: 2BIG.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 : 2020 -207999 -102.97 -592.59
target 2D structure prediction score : 0.72
Monomeric hydrophicity matching model chain B : 0.90

3D Compatibility (PKB) : -102.97
2D Compatibility (Sec. Struct. Predict.) : 0.72
1D Compatibility (Hydrophobicity) : 0.90
QMean score : 0.589

(partial model without unconserved sides chains):
PDB file : Tito_2BIG.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2BIG-query.scw
PDB file : Tito_Scwrl_2BIG.pdb: