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



Input alignment information:
Query sequenceMELSMSKTFAEFSLHETLQQALEGLGFTNPTPVQEQSIPAALEGKDLLVSSQTGSGKTAAFLLPTLHNLAGQDTFVPFKERMKAVTQPSILVLCPTRELAQQVSQDAIAFVRHMKGVRIAAIMGGMPFGKQIQQL-KGAQVVVATPGRLLDLVNRRQLKLDKVDALIVDEADRMLDLGFSEDLEAISDLAVNRGQTLMFSATFADRIIRLAERMMNEPERIAIETGHSTNTDITQTLHWTDGFEHKKKLLTHWLADETLDQAVVFASTQEDTDMLAEELAEAGHSVVALHGAMPQTARNRRLRSIREGRAKILVATDVAARGLDVPTISHVINFGLPMKHEDYVHRIGRTGRAGRTGQAITLATYRERGKIRALEDYLEARLNVSEIEGLEASPPPARPRREGGRGGNGGRDGRRGGGFGGGRRFEGEGNFKRREGGRDDRPRRSFDDKPRGERPAFGGEDRPRREFNSDRPRREGGFEDRPKRSFGGEDRPRREFNSDRPRREGGFEDRPKRSFGGEDRPRREFNSDRPRREGGFNDKPRFDSNDDNRGNRVDYKPRRENGFGDRPQRSFGGEDRPRREGGFGDRPKRSFGGEDRPRRTVREEHFNQESRGERRRKFDR
4KBF Chain:A ((3-354))--------FKDFPLKPEILEALHGRGLTTPTPIQAAALPLALEGKDLIGQARTGTGKTLAFALPIAERLA------PSQERGR---KPRALVLTPTRELALQVASELTAVAPHLK---VVAVYGGTGYGKQKEALLRGADAVVATPGRALDYLRQGVLDLSRVEVAVLDEADEMLSMGFEEEVEALLSATPPSRQTLLFSATLPSWAKRLAERYMKNPVLINVIKDEPVTYEEEAVPAPVRG---RLEVLSDLLYVASPDRAMVFTRTKAETEEIAQGLLRLGHPAQALHGDLSQGERERVLGAFRQGEVRVLVATDVAARGLDIPQVDLVVHYRLPDRAEAYQHRSGRTGRAGRGGRVVLLYGPRERRDVEALE-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4KBF.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 : 1938 -60889 -31.42 -173.47
target 2D structure prediction score : 0.69
Monomeric hydrophicity matching model chain A : 0.77

3D Compatibility (PKB) : -31.42
2D Compatibility (Sec. Struct. Predict.) : 0.69
1D Compatibility (Hydrophobicity) : 0.77
QMean score : 0.557

(partial model without unconserved sides chains):
PDB file : Tito_4KBF.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4KBF-query.scw
PDB file : Tito_Scwrl_4KBF.pdb: