Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MREYKLVVLGSGGVGKSALTVQFVQGIFVEKYDPTIEDSYRKQVEVDCQQCMLEILDTAGTEQFTAMRDLYMKNGQGFALVYSITAQSTFNDLQDLREQILRVKDTEDVPMILVGNKCDLEDERVVGKEQGQNLARQWCNCAFLESSAKSKINVNEIFYDLVRQINRKTPVEKKKPKKKSCLLL
3RAP Chain:R ((1-165))
MREYKVVVLGSGGVGKSALTVQFVTGTFIEKYDPTIEDFYRKEIEVDSSPSVLEILDTAGTEQFASMRDLYIKNGQGFILVYSLVNQQSFQDIKPMRDQIIRVKRYEKVPVILVGNKVDLESEREVSSSEGRALAEEW-GCPFMETSAKSKTMVDELFAEIVRQMN------------------
General information:
TITO was launched using:
RESULT:
Template:
3RAP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97951 for 1359 contacts (-72.1/contact) +
2D Compatibility (PS) -17505 + (NN) -1954 + (LL) 1228
1D Compatibility (HY) -20400 + (ID) 5500
Total energy: -142082.0 ( -104.55 by residue)
QMean score : 0.673
(partial model without unconserved sides chains):
PDB file :
Tito_3RAP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RAP-query.scw
PDB file :
Tito_Scwrl_3RAP.pdb
: