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
1WK4 Chain:A ((2-174))
---RIRRAGLEDLPGVARVLVDTWRATYRGVVP----EAFLEGLSYEGQAERWAQRLK-TPTWPGRLFVAESESGEVVGFAAFGPDRASGFPGYTAELWAIYVLPTWQRKGLGRALFHEGARLLQAEGYGRMLVWVLKENPKGRGFYEHLGGVLLGEREIELGGAKLWEVAYGFDLGGHKW---
General information:
TITO was launched using:
RESULT:
Template:
1WK4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -92462 for 1103 contacts (-83.8/contact) +
2D Compatibility (PS) -16365 + (NN) -2444 + (LL) 784
1D Compatibility (HY) -11200 + (ID) 2500
Total energy: -124187.0 ( -112.59 by residue)
QMean score : 0.307
(partial model without unconserved sides chains):
PDB file :
Tito_1WK4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WK4-query.scw
PDB file :
Tito_Scwrl_1WK4.pdb
: