Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKINVKYQLKNTLIRINIDDTEPKIYAVRGPSGIGKTTVLNMIAGLRKADEAIIEVNGQLLTDTTKNVNVKIQQRRIGYLFQDYQLFPNMTVYKNITFMAE----PSKHIDQLI----QTLNINHLMKQYPMTLSGGEAQRVALARALSTKPDLILLDEPFSSLDDTTKDESITLVKRIFNEWQIPIIFVTHSNYEAEQMAHEIITIG
2D62 Chain:A ((39-213))
------------------------------GPSGCGKTTTLRMIAGLEEPTRGQIYIEDNLVADPEKGVFVPPKERDVAMVFQSYALYPHMTVYDNIAFPLKLRKVPKQEIDKRVREVAEMLGLTELLNRKPRELSGGQRQRVALGRAIIRRPKVFLMDEPLSNLDAKLRVKMRAELKKLQRQLGVTTIYVTHDQVEAMTMGDRI----
General information:
TITO was launched using:
RESULT:
Template:
2D62.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97902 for 1185 contacts (-82.6/contact) +
2D Compatibility (PS) -17819 + (NN) -4369 + (LL) 3008
1D Compatibility (HY) -15200 + (ID) 3350
Total energy: -135632.0 ( -114.46 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_2D62.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2D62-query.scw
PDB file :
Tito_Scwrl_2D62.pdb
: