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



Input alignment information:
Query sequenceMLGQPTRAQLAALVDHTLLKPETTRADVAALVAEAAELGVYAVCVSPSMVPVA---VQAGGVRVAAVTGFPSGKHVSSVKAHEAAAALASGASEIDMVIDIGAALCGDIDAVRSDIEAVRAAAAGAVLKVIVESAVLLGQSNAHTLVDACRAAEDAGADFVKTSTGCHPAGGATVRAVELMAETVGPRLGVKASGGIRTAADAVAMLNAGATRLGLSGTRAVLDGLS
3NGJ Chain:D ((20-238))--GSMDKATLAKYIDHTLLKADATEEQIRKLCSEAAEYKFASVCVNPTWVPLCAELLKGTGVKVCTVIGFPLGATPSEVKAYETKVAVEQGAEEVDMVINIGMVKAKKYDDVEKDVKAVVDASGKALTKVIIECCYLTNEEK----VEVCKRCVAAGAEYVKTSTG-FGTHGATPEDVKLMKDTVGDKALVKAAGGIRTFDDAMKMINNGASRIGASAGIAILNGI-


General information:
TITO was launched using:
RESULT:

Template: 3NGJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146943 for 1949 contacts (-75.4/contact) +
2D Compatibility (PS) -24769 + (NN) -17371 + (LL) 828
1D Compatibility (HY) -18400 + (ID) 4850
Total energy: -211505.0 ( -108.52 by residue)
QMean score : 0.564

(partial model without unconserved sides chains):
PDB file : Tito_3NGJ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3NGJ-query.scw
PDB file : Tito_Scwrl_3NGJ.pdb: