Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKIIIATANKGKAKEFEKIFAKFNIEVATLADFPEIGEIEETGTTFAENAALKAETVASVLNQTVIADDSGLIVDALDGAPGVYSARYAGVAHDDAKNNEKLLKNLEGVEPDKRTARFHCTLAVATPSEKTS--FYTGEVEGVIAEQLCGTNGFGYDPLFFLPEFGLTMAEIPAEKKNEISHRANAIKQLEKDLVEVVEKVTKK
2PYU Chain:A ((21-210))
MQKVVLATGNVGKVRELASLLSDFGLDIVAQTDL-GVDSAEETGLTFIENAILKARHAAKVTALPAIADASGLAVDVLGGAPGIYSARYSGEDATDQKNLQKLLETMKDVPDDQRQARFHCVLVYLRHAEDPTPLVCHGSWPGVITREPAGTGGFGYDPIFFVPSEGKTAAELTREEKSAISHRGQALKLL--------------
General information:
TITO was launched using:
RESULT:
Template:
2PYU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79894 for 1510 contacts (-52.9/contact) +
2D Compatibility (PS) -20068 + (NN) -9209 + (LL) 1348
1D Compatibility (HY) -13200 + (ID) 4350
Total energy: -125373.0 ( -83.03 by residue)
QMean score : 0.523
(partial model without unconserved sides chains):
PDB file :
Tito_2PYU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PYU-query.scw
PDB file :
Tito_Scwrl_2PYU.pdb
: