Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MREYKLVVLGSGGVGKSALTVQFVQGIFVEKYDPTIEDSYRKQVEVDCQQCMLEILDTAGTEQFTAMRDLYMKNGQGFALVYSITAQSTFNDLQDLREQILRVKDTEDVPMILVGNKCDLEDERVVGKEQGQNLARQWCNCAFLESSAKSKINVNEIFYDLVRQINRKTPVEKKKPKKKSCLLL
2RAP Chain:A ((1-165))
MREYKVVVLGSGGVGKSALTVQFVTGTFIEKYDPTIEDFYRKEIEVDSSPSVLEILDTAGTEQFASMRDLYIKNGQGFILVYSLVNQQSFQDIKPMRDQIIRVKRYEKVPVILVGNKVDLESEREVSSSEGRALAEEW-GCPFMETSAKSKTMVDELFAEIVRQMN------------------
General information:
TITO was launched using:
RESULT:
Template:
2RAP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96027 for 1340 contacts (-71.7/contact) +
2D Compatibility (PS) -17392 + (NN) -1953 + (LL) 1228
1D Compatibility (HY) -20400 + (ID) 5500
Total energy: -140044.0 ( -104.51 by residue)
QMean score : 0.691
(partial model without unconserved sides chains):
PDB file :
Tito_2RAP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2RAP-query.scw
PDB file :
Tito_Scwrl_2RAP.pdb
: