Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTPVFELKNVNYYYDHKKVLENINIKINKGEFLAIVGPNGAGKSTLLKLILGLLPLQSGEIFVEGIDFKNKKTSIKLSYVSQKANAFNSGFP-ASVKEVVLSGLTKTKRLFQTFNSKDNEKVIKVLERLNISDLIHKNIAELSGGQQQRVMIARALISEPAVLVLDEPTNGIDAKHVSEFYNTLDQL-KQEGITIILVTHDI--------GVVADTATEVACLNKHLH-FHGTTDEFKSLDEVEISKIYGHPVRFVDHQHNRECCN
1Q12 Chain:B ((5-229))
-----QLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYAL---YPHLSVAENMSFGL----KLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRF-----------------------------
General information:
TITO was launched using:
RESULT:
Template:
1Q12.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139217 for 1626 contacts (-85.6/contact) +
2D Compatibility (PS) -23015 + (NN) -8043 + (LL) 2104
1D Compatibility (HY) -14400 + (ID) 3900
Total energy: -186471.0 ( -114.68 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_1Q12.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1Q12-query.scw
PDB file :
Tito_Scwrl_1Q12.pdb
: