Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTAIYLAGPDVFRPDAEAHGETLKALCAEFGFVGLYPLDHALPADIREPAAQAAWIYRANVGLIERADCVLANLEPFRGSEPDSGTAFEVGYALALGKPVYAYLSDAGAYAERLARLAPEWLGEHPGEDRDGWQLEGFGLPLNLMLAVPSRLVAGGPREALRRLAEELGGNA
1S2I Chain:A ((95-150))
----------------------------------------------------------------------------------DDGSAFEIGFMRAMHKPVI---------------LVP--FTEHPEKEKK----------MNLMIAQGVTTIIDGNTE-FEKLADYNFNEC
General information:
TITO was launched using:
RESULT:
Template:
1S2I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -13784 for 280 contacts (-49.2/contact) +
2D Compatibility (PS) -6017 + (NN) -2729 + (LL) 7528
1D Compatibility (HY) -4800 + (ID) 1150
Total energy: -20952.0 ( -74.83 by residue)
QMean score : 0.304
(partial model without unconserved sides chains):
PDB file :
Tito_1S2I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S2I-query.scw
PDB file :
Tito_Scwrl_1S2I.pdb
: