Sequência

>bgl
MAISSSTSGTSSSFPSRTTVMLLLFFFAASVGITDAQVGVCYGMQGNNLPPVSEVIALYK
KSNITRMRIYDPNRAVLEALRGSNIELILGVPNSDLQSLTNPSNAKSWVQKNVRGFWSSV
LFRYIAVGNEISPVNRGTAWLAQFVLPAMRNIHDAIRSAGLQDQIKVSTAIDLTLVGNSY
PPSAGAFRDDVRSYLDPIIGFLSSIRSPLLANIYPYFTYAYNPRDISLPYALFTSPSVVV
WDGQRGYKNLFDATLDALYSALERASGGSLEVVVSESGWPSAGAFAATFDNGRTYLSNLI
QHVKGGTPKRPNRAIETYLFAMFDENKKQPEVEKHFGLFFPNKWQKYNLNFSAEKNWDIS
TEHNATILFLKSDM

Template

https://www.rcsb.org/structure/4HPG

Alinhamento

>P1;4hpg
structure:4hpg:2:A:316:A::::
-------------------------------------VGVCYGMQGNNLPPVSEVIALYK
KSNITRMRIYDPNQAVLEALRGSNIELILGVPNSDLQSLTNPSNAKSWVQKNVRGFWSSV
RFRYIAVGNEISPVNRGTAWLAQFVLPAMRNIHDAIRSAGLQDQIKVSTAIDLTLVGNSY
PPSAGAFRDDVRSYLNPIIRFLSSIRSPLLANIYPYFTYAGNPRDISLPYALFTSPSVVV
WDGQRGYKNLFDATLDALYSALERASGGSLEVVVSESGWPSAGAFAATFDNGRTYLSNLI
QHVKRGTPKRPKRAIETYLFAMFDENKKQPEVEKHFGLFFPNKWQKYNLNFS--------
--------------*
>P1;bgl
sequence:bgl:1:A:373:A::::
MAISSSTSGTSSSFPSRTTVMLLLFFFAASVGITDAQVGVCYGMQGNNLPPVSEVIALYK
KSNITRMRIYDPNRAVLEALRGSNIELILGVPNSDLQSLTNPSNAKSWVQKNVRGFWSSV
LFRYIAVGNEISPVNRGTAWLAQFVLPAMRNIHDAIRSAGLQDQIKVSTAIDLTLVGNSY
PPSAGAFRDDVRSYLDPIIGFLSSIRSPLLANIYPYFTYAYNPRDISLPYALFTSPSVVV
WDGQRGYKNLFDATLDALYSALERASGGSLEVVVSESGWPSAGAFAATFDNGRTYLSNLI
QHVKGGTPKRPNRAIETYLFAMFDENKKQPEVEKHFGLFFPNKWQKYNLNFSAEKNWDIS
TEHNATILFLKSDM*

Arquivo de execução do MODELLER

#run_modeller.py

#-*- coding:utf-8 -*-
from modeller import *
from modeller.automodel import *

log.verbose()
env = environ()

env.io.atom_files_directory = ["/home/diego/Desktop/modelo"]

env.io.hetatm = True
env.io.water = True

a = automodel(env, alnfile = 'alinha.pir', knowns = '4hpg', sequence = 'bgl')
a.starting_model = 1
a.ending_model = 5
a.make()