Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHIN---FTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQEL--NLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILDQ----PLSHTEVIETTDQVRSTFLQYVKAIVAKIS
3FUC Chain:B ((25-282))
--------------------PQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFP--------GRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQRELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKV--IMDYESQGKANHEEVLEAGKQAAQKLEQFVSLLMASI-
General information:
TITO was launched using:
RESULT:
Template:
3FUC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -176977 for 2000 contacts (-88.5/contact) +
2D Compatibility (PS) -25566 + (NN) -6457 + (LL) 2160
1D Compatibility (HY) -25200 + (ID) 6350
Total energy: -238390.0 ( -119.20 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_3FUC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3FUC-query.scw
PDB file :
Tito_Scwrl_3FUC.pdb
: