Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEYTLPDLDWDYGALEPHISGQINELHHSKHHATYVKGANDAVAKLEEARAKEDHSAILLNEKNLAFNLAGHVNHTIWWKNLSPNG--GDKPTGELAAAIADAFGSFDKFRAQFHAAATTVQGSGWAALGWDTLGNKLLIFQVYDHQTNFPLGIVPLLLLDMWEHAFYLQYKNVKVDFAKAFWNVVNWADVQSRYAAATSQTKGLIFG
3AK2 Chain:A ((4-209))
FKRYELPPLPYNYNALEPYIIEEIMKLHHQKHHNTYVKGANAALEKIEKHLKGEIQIDVRAVMRDFSFNYAGHIMHTIFWPNMAPPGKGGGTPGGRVADLIEKQFGGFEKFKALFSAAAKTVEGVGWGVLAFDPLTEELRILQVEKHNVLMTAGLVPILVIDVWEHAYYLQYKNDRGSYVENWWNVVNWDDVEKRLEQALNNAKPL---
General information:
TITO was launched using:
RESULT:
Template:
3AK2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76423 for 1552 contacts (-49.2/contact) +
2D Compatibility (PS) -21833 + (NN) -9911 + (LL) 164
1D Compatibility (HY) -21200 + (ID) 4750
Total energy: -133953.0 ( -86.31 by residue)
QMean score : 0.575
(partial model without unconserved sides chains):
PDB file :
Tito_3AK2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AK2-query.scw
PDB file :
Tito_Scwrl_3AK2.pdb
: