Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTPVFELKNVNYYYDHKKVL-ENINIKINKGEFLAIVGPNGAGKSTLLKLILGL-LPLQSGEIFVEGIDFKNKKTSIKLSYVSQKANAFNSGFPASVKEVVLSGLTKTKRLFQTFNSKDNEKVIKVLERLNISDLIHKNIAELSGGQQQRVMIARALISEPAVLVLDEPTNGIDAKHVSEFYNTLDQLKQ-EGITIILVTHDIGVVADTATEVACLNKHLHFHGTTDEFKSLDEVEISKIYGHPVRFVDHQHNRECCN
2NQ2 Chain:C ((2-205))
-NKALSVENLGFYYQAENFLFQQLNFDLNKGDILAVLGQNGCGKSTLLDLLLGIHRPIQ-GKIEVYQ----------SIGFVPQ---FFSSPFAYSVLDIVLMGRSTHINTFAKPKSHDYQVAMQALDYLNLTHLAKREFTSLSGGQRQLILIARAIASECKLILLDEPTSALDLANQDIVLSLLIDLAQSQNMTVVFTTHQPNQVVAIANKTLLLNKQ---------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2NQ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141833 for 1558 contacts (-91.0/contact) +
2D Compatibility (PS) -21958 + (NN) -10009 + (LL) 3104
1D Compatibility (HY) -18400 + (ID) 3650
Total energy: -192746.0 ( -123.71 by residue)
QMean score : 0.583
(partial model without unconserved sides chains):
PDB file :
Tito_2NQ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NQ2-query.scw
PDB file :
Tito_Scwrl_2NQ2.pdb
: