Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTPVFELKNVNYYYD-HKKVLENINIKINKGEFLAIVGPNGAGKSTLLKLILGLLPLQSGEIFVEGIDFKNKKTSIKLSYVSQKANAFNSGFPASVKEVVLSGLTKTKRLFQTFNSKDNEKVIKVLERLNISDLIHKNIAELSGGQQQRVMIARALISEPAVLVLDEPTNGIDAKHVSEFYNTLDQLKQ-EGITIILVTHDIGVVADTATEVACLNKHLHFHGTTDEFKSLDEVEISKIYGHPVRFVDHQHNRECCN
2NQ2 Chain:C ((2-219))
-NKALSVENLGFYYQAENFLFQQLNFDLNKGDILAVLGQNGCGKSTLLDLLLGIHRPIQGKIEVY----------QSIGFVPQFFS---SPFAYSVLDIVLMGRSTHINTFAKPKSHDYQVAMQALDYLNLTHLAKREFTSLSGGQRQLILIARAIASECKLILLDEPTSALDLANQDIVLSLLIDLAQSQNMTVVFTTHQPNQVVAIANKTLLLNKQNFKFGETRNILTSE-------------------------
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) -152956 for 1701 contacts (-89.9/contact) +
2D Compatibility (PS) -23520 + (NN) -10876 + (LL) 2200
1D Compatibility (HY) -16000 + (ID) 3550
Total energy: -204702.0 ( -120.34 by residue)
QMean score : 0.554
(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
: