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



Input alignment information:
Query sequenceMKTASKFSVMFFMLLALCGCWDVKDIEQLSFARGLAIDETNDHQYKLTYQNLLPQSEDSQASGKPEFVNVTSHGKTILEAVSDVSIKDPPVYSDHLKVILLGEKLMRNQNVDQVLNHFIRDDELRRSSYLMAARGNAA-DVFTKGNPNQQQPMPSEKLIDLTTHSGYNGKI-MIPLRIGRASVYSQNGY-SYLIQAVKNEKGKAKYDGAGIIKR-G-SNKLVGFLSADETQTLSWVMGTIQGGVMPTTDKGHPITFEIKKSKTKIKPVIENGKPVFHISVKTKGILTEDQNPNENSFSKSYLHRLENIFEKKLERDVKQVMDKLQHEYKTDPVFLSDHIRIQHPDYWNKVKGHWDEIFSETDFKYDISFKIINFGTVGK
3N54 Chain:B ((1-344))------------------------DIEQLSFARGLAIDETNDHQYKLTYQNLLPQS------GKPEFVNVTSHGKTILEAVSDVSIKDPPVYSDHLKVILLGEKLMRNQNVDQVLNHFIRDDELRRSSYLMAARG-NAADVFTKGNP-----------------------KIMIPLRIGRASVYSQNGYSYLIQAV-KNE--KGKAKYDGAGIIKRGSNKLVGFLSADETQTLSWVMGTIQGGVMPTTDKGHPITFEIKKSKTKIKPVIENGKPVFHISVKTKGILTE-DQN----FSKSYLHRLENIFEKKLERDVKQVMDKLQHEYKTDPVFLSDHIRIQHPDYWNKVKGHWDEIFSETDFKYDISFKIIN------


General information:
TITO was launched using:
RESULT:

Template: 3N54.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 : 1277 44927 35.18 146.82
target 2D structure prediction score : 0.52
Monomeric hydrophicity matching model chain B : 0.88

3D Compatibility (PKB) : 35.18
2D Compatibility (Sec. Struct. Predict.) : 0.52
1D Compatibility (Hydrophobicity) : 0.88
QMean score : 0.445

(partial model without unconserved sides chains):
PDB file : Tito_3N54.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3N54-query.scw
PDB file : Tito_Scwrl_3N54.pdb: