Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKINVKYQLKNTLIRINIDDTEPKIYAVRGPSGIGKTTVLNMIAGLRKADEAIIEVNGQLLTDTTKNVNVKIQQRRIGYLFQDYQLFPNMTVYKNITFMA---------EPSKHIDQLIQTLNINHLMKQYPMTLSGGEAQRVALARALSTKPDLILLDEPFSSLDDTTKDESITLVKRIFNEWQIPIIFVTHSNYEAEQMAHEIITIG
4U00 Chain:A ((37-209))
------------------------------GPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKDDRALREIR---REVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLD-VMRDLAQGGMTMVVVTHEMGFAREVADRVV---
General information:
TITO was launched using:
RESULT:
Template:
4U00.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -81399 for 1234 contacts (-66.0/contact) +
2D Compatibility (PS) -17631 + (NN) -6545 + (LL) 3424
1D Compatibility (HY) -12400 + (ID) 2900
Total energy: -117451.0 ( -95.18 by residue)
QMean score : 0.391
(partial model without unconserved sides chains):
PDB file :
Tito_4U00.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U00-query.scw
PDB file :
Tito_Scwrl_4U00.pdb
: