Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHIN---FTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQEL--NLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILDQ----PLSHTEVIETTDQVRSTFLQYVKAIVAKIS
1B8N Chain:A ((25-279))
--------------------PQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPESTVPGHAGRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQRELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKV--IMDYESQGKANHEEVLEAGKQAAQKLEQFVSLLM----
General information:
TITO was launched using:
RESULT:
Template:
1B8N.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -177597 for 2112 contacts (-84.1/contact) +
2D Compatibility (PS) -26083 + (NN) -7239 + (LL) 2044
1D Compatibility (HY) -24800 + (ID) 6550
Total energy: -240225.0 ( -113.74 by residue)
QMean score : 0.567
(partial model without unconserved sides chains):
PDB file :
Tito_1B8N.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1B8N-query.scw
PDB file :
Tito_Scwrl_1B8N.pdb
: