Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFGMKVNEQITLKILEAHDTEALFNLVNRSRNSLREWLPWVDATEQPSDTRAFIKRGLLQFADGNGFQCGIWYEGTLVGVIGLHEINHMHRKTSLGYYLDKQFEGHGIMTQAVEALIKYCFEELDLNRIEISAAVNNEKSRAIPERLGFTREGMLRDNELLNGIYSSSYIYSLLKSEYDQK
1S7N Chain:A ((8-176))
---IPVSTTLELRAADESHVPALHQLVLKNKAWLQQSLDWPQYVTSQEETRKHVQGNILLHQRGYAKMYLIFCQNEMAGVLSFNAIEPINKAAYIGYWLDESFQGQGIMSQSLQALMTHYARRGDIRRFVIKCRVDNQASNAVARRNHFTLEGCMKQAEYLNGDYHDVNMYA---------
General information:
TITO was launched using:
RESULT:
Template:
1S7N.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94426 for 1234 contacts (-76.5/contact) +
2D Compatibility (PS) -17961 + (NN) -1308 + (LL) 860
1D Compatibility (HY) -12800 + (ID) 2350
Total energy: -127985.0 ( -103.72 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_1S7N.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S7N-query.scw
PDB file :
Tito_Scwrl_1S7N.pdb
: