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[modeller_usage] Modeling muli-chain protein



Attached is a python script to build a model from the sequence PfFT on the template 1JCS. The first residue in 1JCS is numbered 55. For the start residue in chain A of 1JCS nothing less than 55 is accepted. However, if I put in 55, it tries to align residue 55 in the pir alignment file with residue 1 in the sequence. I have tried various combinations without success. I really did read the documentation. Please help. Thanks.

--
Richard W. Harper Ph.D.
Research Professor
Indiana University-Purdue University Indianapolis (IUPUI)
Department of Chemistry and Chemical Biology
402 N. Blackford Street, LD326
Indianapolis, IN 46202-3274

Attachment: first_align_modeler.py
Description: application/chimera

>P1;PfFT
sequence:PfFT:1 :A : : :farnesyltransferase:P falciparum: :
MENRCLYAYKKKFGVSYP---ENLDDEQFEPLNNVMLNMMEQKNFVIEIKD---------
-LEEDAKKYLI----DEKGDI----KNKEKISLINTYYSDRERMLFCLLSSLIEKKEYSF
EGYIICSYVIKMNSSYYSAWVYRRKCLKKLNLNLLNDLKFTKYIISDNIKSFQSWFHRRW
LIEYIYKMNYRKKNNQRNNECNYNIYIEEGKNIDNKNENLNEYNIDMENNYISSFDDEKN
FISSEEEMNSNSSYNIHDNFYNDDDGFISNCDDTDFEEGQENNRNNIYIYEELGNIINNN
IFFKNSLLPNEIINIDNFLYEELLYNNCDIFIDMKNYNSWATKTWLIDKFNILQNEYICK
KHNIILHEFCFINYLLTIDIYNNSLWVYRYFILNKLSYFHDLAKMQKEIYFCFTYANQFY
DNQAIFNYFIHMVFLYIKLYQNASQIKQKNTELNIQCEKKEETYKHDERNIFQIPLVNYI
KNELIKIQ--HKSKFVLVFLSQLYS--YNGSYDDEIE--------CYRYLQKYDDFNEHV
WKDRIECVQKR--------LKI/
MEKNDSYLLRYHRNKILIHLLYELINYEKYKYTINIDFENETSYNYIENIIKLLFNYIFN
LNEDYLDYDTTEKNSINTSFSSCSSDIINEEYLNSIDHDNIFNSLFFNNMYIKEHTINDH
CVNEIYKSDNYKTKHLYNNIKEQNVNNVTQNNQVDCSHEDICEKYTEMYNNVTKLSSKQN
NIEQETLPTYIQNDNKYISCDIRNNDQLLNNTVFNFYLNCNKNSKTLKEKLKVEKQILTI
YYKSFSSTIIDMLLNNPNIHIPDIIIYFLFNHVQKIEDISSYFKNQSYTFDTIHSYIKQI
NNMDNKNIINKHTPLHTFEHFKQLYHKEPSENIQNENNINYLNNETEEYNEQYSDSIDIH
LHKFINDKEIESTNNLNFNIVEFKSIHIKKEDPFMLSTYKYNFKLNKSNNLLNKFMSILN
LQLEKQLHFKFCLDIFFLKNMKLISLEASKPWIFYWCIHSIHILYNTFEIEEKIGKPTFD
YIKKCVFLYLNKIKNNDGGFGGGLNQYTHIATTYAAVCVFIYLHDEENNFLSFLDKKKLH
SYILKLKCTDGSFRVHINGEIDMRGTYCAISICSMCHILTNEVKKNVEKYILTCQNYEGG
FTSEKFQECHGGYSYCALATLCILGKVNKINLKNLTHWLMNKQSNIEGAFMGRTNKLVDS
CYSFWMGSIFFLIYEIYILKSILFNKGDITKNNPKGEYVIIEKENEIKDYSKSHELCSEK
DINSNTYTENIKSNCFNKYLNQNNDNPNNYLCEQKDVLTYHKMPNEQTKLLHHQNVKNIS
KESKIMEDILFFENYKNEYIQKNVLFNENFLKLYLYLCSQNSKGGMKDKPKERIDYYHTC
YALSGLSLVQNHLSSLDKKNFKDIQNKDIYNNLNKIHILYNITVDKVYNSYNYF----SP
NIPLNQNKINYRTGKGAYLYLKRLLQE*
>P1;1JCS
structureX:1JCS:55 :A :LAST :B :farnesyltransferase:P falciparum: :
------MAATEGVGESAPGGEPGQPEQPPPPPPPPPAQQPQEEEMAAEAGEAAASPMDDG
FLSLDSPTYVLYRDRAEWADIDPVPQNDGPSPVVQIIYSEKFRDVYDYFRAVLQRDERSE
RAFKLTRDAIELNAANYTVWHFRRVLLRSLQKDLQEEMNYIIAIIEEQPKNYQVWHHRRV
LVEWL----------------------------KDPSQEL--------------------
--------------------------------------------------EFIADILNQ-
--------------------------------DAKNYHAWQHRQWVIQEFRLWDN-----
-------ELQYVDQLLKEDVRNNSVWNQRHFVISNTTGYSDRAVLEREVQYTLEMIKLVP
HNESAWNYLKGIL---------------------------------QDRGLSRYP---NL
LNQLLDLQPSHSSPYLIAFLVDIYEDMLENQCDNKEDILNKALELCEILAKEKDTIRKEY
WRYIGRSLQSKHSRESDIPASV/
-------------------------------------MASSSSFTY--------------
-------------------YCPPSSSPVWSEPLYSL------------------------
-----------RPEHARERLQDDSVETVT-------------------------------
SIEQA----------------------------------------------KVEEKIQEV
F--------------------------------------------SSYKFN---------
-------------------------HLVPRLVLQREKHFHYLKRGLRQLTDAYE------
------------------------------------------------------------
-----------CLD-------------ASRPWLCYWILHSLELL------DEPI--PQIV
ATDVCQFLEL--CQSPDGGFGGGPGQYPHLAPTYAAVNALCIIGTEEA--YNVINREKLL
QYLYSLKQPDGSFLMHVGGEVDVRSAYCAASVASLTNIITPDLFEGTAEWIARCQNWEGG
IGGVPGMEAHGGYTFCGLAALVILKKERSLNLKSLLQWVTSRQMRFEGGFQGRCNKLVDG
CYSFWQAGLLPLLH----------------------------------------------
------------------------------------------------RALHAQG-----
------DPALSMSHW---------MFHQQALQEYILMCCQCPAGGLLDKPGKSRDFYHTC
YCLSGLSIAQHFGSG---AMLHDVVMGVPENVLQPTHPVYNIGPDKVIQATTHFLQKPVP
GFEECEDAVTSDPATD-----------*