Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNTAPFIAIEGPIGAGKTTLATMLSQKFG-FPMINEIVED------NPYLDKFYDNIKEWSFQLEMFFLCHRYKQLEDTS-DHF-LKKGQPVIADYHIYKN-VIFAER-----TLSPHQLEKYKKIYHLLTDD---LPKPNFIIYIKASLPTLLHRIEKRGRPFEKKIETSYLEQLISDYEVAIKQLQE-----ADPELTVLTVDGDSKDFVLNKSDFERIAAHVKELIV
2OCP Chain:A ((1-239))
--GPRRLSIEGNIAVGKSTFVKLLTKTYPEWHVATEPVATWQNIQLGNLLDMMYREPARWSYTFQTFSFLSRLKVQLEPFPEKLLQARKPVQIFERSVYSDRYIFAKNLFENGSLSDIEWHIYQDWHSFLLWEFASRITLHGFIYLQASPQVCLKRLYQRAREEEKGIELAYLEQLHGQHEAWLIHKTTKLHFEALMNIPVLVLDVND-DFSEEVTKQEDLMREVNTFVK
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) -105277 for 1515 contacts (-69.5/contact) +
2D Compatibility (PS) -21528 + (NN) -6784 + (LL) 192
1D Compatibility (HY) -12800 + (ID) 2650
Total energy: -148847.0 ( -98.25 by residue)
QMean score : 0.560
(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
: