Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEYTLPDLDWDYGALEPHISGQINELHHSKHHATYVKGANDAVAKLEEARAKEDHSAILLNEKNLAFNLAGHVNHTIWWKNLSPNGGDKPTG--ELAAAIADAFGSFDKFRAQFHAAATTVQGSGWAALGWDTLGNKLLIFQVYDHQTNFPLGIVPLLLLDMWEHAFYLQYKNVKVDFAKAFWNVVNWADVQSRYAAATSQTKGLIFG
3AK3 Chain:D ((6-209))
--RYELPPLPYNYNALEPYIIEEIMKLHHQKHHNTYVKGANAALEKIEKHLKGEIQIDVRAVMRDFSFNYAGHIMHTIFWPNMAPPGKGGGTPGGRVADLIEKQFGGFEKFKALFSAAAKTVEGVGWGVLAFDPLTEELRILQVEKHNVLMTAGLVPILVIDVWEHAYYLQYKNDRGSYVENWWNVVNWDDVEKRLEQALNNAKPL---
General information:
TITO was launched using:
RESULT:
Template:
3AK3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -70480 for 1558 contacts (-45.2/contact) +
2D Compatibility (PS) -21584 + (NN) -10941 + (LL) 516
1D Compatibility (HY) -20800 + (ID) 4650
Total energy: -127939.0 ( -82.12 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_3AK3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AK3-query.scw
PDB file :
Tito_Scwrl_3AK3.pdb
: