Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLVEQTADRLLHLILEREYPVGAKLPNEYELAEDLDVGRSTIREAVRSLATRNILEVRQGSGTYISSKKGVSE-DPLGFSLI---KDTDRLTSDLFELRLLLEPRIAELVAYRITDDQLQLLEKLVGDIEDAVHAGDPKHLLLDVEFHSMLAKYSGNIAMDSLLPVINQSIHLINA-NYTNRQMKSDSLEAHREIIKAIREKNPVAAHDAMLMHIMSVRRSALKA
1HW1 Chain:A ((5-225))
-AQSPAGFAEEYIIESIWNNRFPPGTILPAERELSELIGVTRTTLREVLQRLARDGWLTIQHGKPTKVNNFWETSGLNILETLARLDHESVPQLIDNLLSVRTNISTIFIRTAFRQHPDKAQEVLATA----NEV-ADHADAFAELDYNIFRGLAFASGNPIYGLILNGMKGLYTRIGRHYFANPEARSLALGFYHKLSALCSEGAHDQVYETVRRYGHESGEIWHRM
General information:
TITO was launched using:
RESULT:
Template:
1HW1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93696 for 1594 contacts (-58.8/contact) +
2D Compatibility (PS) -23930 + (NN) -17262 + (LL) 548
1D Compatibility (HY) -2400 + (ID) 2000
Total energy: -138740.0 ( -87.04 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_1HW1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1HW1-query.scw
PDB file :
Tito_Scwrl_1HW1.pdb
: