Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEENMNIKQLKSKTMLGTVALVSAFSFASTNADANTYNYAVDVDYLASAEEIAQAHPASNTFPLGQCTWGVKEMATW----AGNWWGNGGDWAASAAS--------AGYTV-----GTQPRVGSIVCWTDG----SYGHVAYVTAVDPVTNKIQVLESNYAGHQWIDNYRGWFDPQNTATPGVVSYIYPN
3A2Z Chain:A ((55-155))
--------------------------------------------------------------HKWQCVEFARRFLFLNYGVVFTDVGMAWEIFSLRFLREVVNDNILPLQAFPNGSPRAPVAGALLIWDKGGEFKDTGHVAIITQLHG--NKVRIAEQNVIHSPLPQGQQWTRELEMVVENGCYTLKDTF
General information:
TITO was launched using:
RESULT:
Template:
3A2Z.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -35100 for 468 contacts (-75.0/contact) +
2D Compatibility (PS) -8881 + (NN) -4091 + (LL) 4968
1D Compatibility (HY) -4000 + (ID) 800
Total energy: -47904.0 ( -102.36 by residue)
QMean score : 0.292
(partial model without unconserved sides chains):
PDB file :
Tito_3A2Z.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3A2Z-query.scw
PDB file :
Tito_Scwrl_3A2Z.pdb
: