Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEHHIPKNSIITVAGTVGVGKSTLTKTLAKRLGFK-TSLEEVDH------NPYLEKFYHDFERWSFHLQIYFLAERFKEQKTIF-----E-AGGGFVQDRSIYEDTGIFAKMHADKGTMSKVDYKTYTSLFEAMVMTPY---FPHPDVLIYLEGDLENILNRIEQRGREMELQTSRSYWEEMHTRYENWISG---------FNACPVLKLRIEDYDLLNDENSIENIVDQIASVIHDNQKK
2OCP Chain:A ((1-240))
-------GPRRLSIEGNIAVGKSTFVKLLTKTYPEWHVATEPVATWQNIQLGNLLDMMYREPARWSYTFQTFSFLSRLKVQLEPFPEKLLQARKPVQIFERSVYSDRYIFAKNLFENGSLSDIEWHIYQDWHSFLL--WEFASRITLHGFIYLQASPQVCLKRLYQRAREEEKGIELAYLEQLHGQHEAWLIHKTTKLHFEALMNIPVLVLDVND-DFSEEVTKQEDLMREVNTFVKN----
General information:
TITO was launched using:
RESULT:
Template:
2OCP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -77117 for 1536 contacts (-50.2/contact) +
2D Compatibility (PS) -21461 + (NN) -3705 + (LL) 1048
1D Compatibility (HY) -14400 + (ID) 2700
Total energy: -118335.0 ( -77.04 by residue)
QMean score : 0.546
(partial model without unconserved sides chains):
PDB file :
Tito_2OCP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OCP-query.scw
PDB file :
Tito_Scwrl_2OCP.pdb
: