Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLEKVNEAVAKIRESYTGTPKIGLILGSGLGVLADEVNQPIKLSYSEIPHFPVSTVEGHAGQFVFGELENKEVVAMQGRFHFYEGYSMQDVTFPVRVMKELGVEVLIVTNAAGGVNELYSAGDLMLISDHIN---FTGTSPLIGPNDEHFGPRFPDMSEAYNLALRVDARLIAQEL--NLTIREGVYAGFSGPTYETPAEIQMMRTLGADAVGMSTVPEVIIANHAGLRVLGISCITNMAAGILDQ----PLSHTEVIETTDQVRSTFLQYVKAIVAKIS
1A9S Chain:A ((25-282))
--------------------PQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPESTVPGHAGRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQRELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKV--IMDTESQGKANHEEVLEAGKQAAQKLEQFVSLLMASI-
General information:
TITO was launched using:
RESULT:
Template:
1A9S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170361 for 2075 contacts (-82.1/contact) +
2D Compatibility (PS) -26540 + (NN) -8297 + (LL) 1632
1D Compatibility (HY) -25200 + (ID) 6650
Total energy: -235416.0 ( -113.45 by residue)
QMean score : 0.549
(partial model without unconserved sides chains):
PDB file :
Tito_1A9S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1A9S-query.scw
PDB file :
Tito_Scwrl_1A9S.pdb
: