Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDFHIRKATNSDAEAIQHVAITSWHHTYQDLIPGDVQDDFLERFY---NVETLHNRISATP------FAVVEQADKVIGFANF-IELEKG----KSELAAFYLLPEVTQRGLGTELLEVGMTLFHVP--LPMFVNVEKGNETAIHFYKAKGFVQVEEFTEDFYGYPLETIR--FNLNHHAFEEE
2CY2 Chain:A ((2-174))
---RIRRAGLEDLPGVARVLVDTWRATYRGVVP----EAFLEGLSYEGQAERWAQRLK-TPTWPGRLFVAESESGEVVGFAAFGPDRASGFPGYTAELWAIYVLPTWQRKGLGRALFHEGARLLQAEGYGRMLVWVLKENPKGRGFYEHLGGVLLGEREIELGGAKLWEVAYGFDLGGHKW---
General information:
TITO was launched using:
RESULT:
Template:
2CY2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92524 for 1109 contacts (-83.4/contact) +
2D Compatibility (PS) -16305 + (NN) -2394 + (LL) 784
1D Compatibility (HY) -11200 + (ID) 2500
Total energy: -124139.0 ( -111.94 by residue)
QMean score : 0.291
(partial model without unconserved sides chains):
PDB file :
Tito_2CY2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CY2-query.scw
PDB file :
Tito_Scwrl_2CY2.pdb
: