Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRILVTGGVRSGKSTHAEALLGDAADVVYVAPGRPAAGSDPDWDARVALHRARRPPTWLTVETA-DVATALSEARSP---VLVDCLGTWLTAIMDGEALWSAATADVYAVLEARLDGLCAALTGLPTA-----IVVTNEVGLGVVPSHSSGVLFRDLLGTINRRVAAVCDEVHLVIAGRVLKL-
1CBU Chain:A ((1-180))
-MILVTGGARSGKSRHAEALIGDAPQVLYIATS---QILDDEMAARIQHHKDGRPAHWRTAECWRHLDTLITADLAPDDAILLECITTMVTNLLFALGGENDPEQWDYAAMERAIDDEIQILIAACQRCPAKVVLVTNEVGMGIVPENRLARHFRDIAGRVNQRLAAAADEVWLVVSGIGVKIK
General information:
TITO was launched using:
RESULT:
Template:
1CBU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110380 for 1214 contacts (-90.9/contact) +
2D Compatibility (PS) -18303 + (NN) -1710 + (LL) 312
1D Compatibility (HY) -11600 + (ID) 3300
Total energy: -144981.0 ( -119.42 by residue)
QMean score : 0.442
(partial model without unconserved sides chains):
PDB file :
Tito_1CBU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1CBU-query.scw
PDB file :
Tito_Scwrl_1CBU.pdb
: