Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKIIIATANKGKAKEFEKIFAKFNIEVATLADFPEIGEIEETGTTFAENAALKAETVASVLNQTVIADDSGLIVDALDGAPGVYSARYAGVAHDDAKNNEKLLKNLEGVEPDKRTARFHCTLAVATPSEKTSFYT-GEVEGVIAEQLCGTNGFGYDPLFFLPE-FGLTMAEIPAEKKNEISHRANAIKQLEKDLVEVVEKVTKK
3S86 Chain:A ((18-203))
---VYLATTNPHKVEEIKMIAP----EWMEILPSPEKIEVVEDGETFLENSVKKAVVYGKKLKHPVMADDSGLVIYSLGGFPGVMSARFME-EHSYKEKMRTILKMLEGKD---RRAAFVCSATFFDPVENTLISVEDRVEGRIANEIRGTGGFGYDP-FFIPDGYDKTFGEIP-HLKEKISHRSKAFRKLFSVLEKIL------
General information:
TITO was launched using:
RESULT:
Template:
3S86.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -49630 for 1483 contacts (-33.5/contact) +
2D Compatibility (PS) -19606 + (NN) -7909 + (LL) 1464
1D Compatibility (HY) -12800 + (ID) 3750
Total energy: -92231.0 ( -62.19 by residue)
QMean score : 0.452
(partial model without unconserved sides chains):
PDB file :
Tito_3S86.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S86-query.scw
PDB file :
Tito_Scwrl_3S86.pdb
: