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



Input alignment information:
Query sequenceMSIEKFSVEKVLSVHRWTPTLFSFTMTRPSHFKFTAGQFARIGL-KVGDELIVRAYSVVSSPFDETLEFFSIVVPDGAFTSNLQHLKVGDELYLEKIPYGYLTLARYQQPLP-HDLWLLATGTGLAPFLSMLQDFETWSNYQKINLVYSVRTAAELAY----VDRIQE---IAETFGEGHLGFKFIPIITRDPSAPLHERLPVLIENGELEKVAGLELSPASSHVMLCGNPQMVDDTKEALKRCGLTMNRRGE-GNIAVENYW
4K1X Chain:B ((2-251))------DAQTVTSVRHWTDTLFSFRVTRPQTLRFRSGEFVMIGLLDDNGKPIMRAYSIASPAWDEELEFYSIKVPDGPLTSRLQHIKVGEQIILRPKPVGTLVIDAL---LPGKRLWFLATGTGIAPFASLMREPEAYEKFDEVIMMHACRTVAELEYGRQLVEALQEDPLIGELV-EGKL--KYYPTTTREEFHHMGRITDNLASGKVFEDLGIAPMNPETDRAMVCGSLAFNVDVMKVLESYGLREGANSEPREFVVEKY-


General information:
TITO was launched using:
RESULT:

Template: 4K1X.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 : 1300 -30425 -23.40 -126.77
target 2D structure prediction score : 0.48
Monomeric hydrophicity matching model chain B : 0.79

3D Compatibility (PKB) : -23.40
2D Compatibility (Sec. Struct. Predict.) : 0.48
1D Compatibility (Hydrophobicity) : 0.79
QMean score : 0.541

(partial model without unconserved sides chains):
PDB file : Tito_4K1X.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4K1X-query.scw
PDB file : Tito_Scwrl_4K1X.pdb: