Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEIVIASNNQGKINDFKVIFPDYHVIGISELIPD---FDVEETGSTFEENAILKSEAAAKALNKTVIADDSGLEVFALNGEPGIYSARYAGENKSDEANIEKLLNKLGNTTDRRAQFVCVISMSGPDMETKV-FKGTVSGEIADGKYGENGFGYDPIFYVPKLDKTMAQLSKEQKGQISHRRNAINLLQAFLEGEKNV
3S86 Chain:A ((18-200))
---VYLATTNPHKVEEIKMIAPEW-----MEILPSPEKIEVVEDGETFLENSVKKAVVYGKKLKHPVMADDSGLVIYSLGGFPGVMSARFMEEHSYKEKM--RTILKMLEGKDRRAAFVCSATFFDPVENTLISVEDRVEGRIANEIRGTGGFGYDPFFIPDGYDKTFGEIP-HLKEKISHRSKAFRKLFSVLE-----
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) -34875 for 1448 contacts (-24.1/contact) +
2D Compatibility (PS) -19290 + (NN) -8706 + (LL) 1328
1D Compatibility (HY) -15200 + (ID) 3400
Total energy: -80143.0 ( -55.35 by residue)
QMean score : 0.434
(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
: