On Wed, 10 Jul 1996, herbert_bernstein wrote: > Could the PDB please consider adding the following additional HELIX > types to the HELIX class field (columns 39-40) of the HELIX record, > and creating a TURN class field in columns 39-40 of the TURN record. > This would allow a more detailed classification of secondary structure > and simplify transfer of data to and from mmCIF format: > > Current classifications from PDB Contents Guide: > > 1. Right-handed alpha (default) > 2. Right-handed omega > 3. Right-handed pi > 4. Right-handed gamma > 5. Right-handed 3-10 > 6. Left-handed alpha > 7. Left-handed omega > 8. Left-handed gamma > 9. 2-7 ribbon/helix > 10. Polyproline > > The PDB uses these classifications only for protein structures. > We assume classes 9 and 10 are for right-handed helices. We add > the left-handed variants and the nucleic acid helices in the > list below (derived from the mmCIF list). > > Suggested additional classifications: > > 11. helix with handedness and type not specified (protein) > 12. helix with handedness and type that do not > conform to an accepted category (protein) > 13. right-handed helix with type not specified (protein) > 14. right-handed helix with type that does not > conform to an accepted category (protein) > 15. left-handed helix with type not specified (protein) > 16. left-handed helix with type that does not > conform to an accepted category (protein) > 17. left-handed pi helix (protein) > 18. left-handed 2-7 helix (protein) > 19. left-handed 3-10 helix (protein) > 20. left-handed polyproline helix (protein) > 21. helix with handedness and type not specified (nucleic acid) > 22. helix with handedness and type that do not > conform to an accepted category (nucleic acid) > 23. right-handed helix with type not specified (nucleic acid) > 24. right-handed helix with type that does not > conform to an accepted category (nucleic acid) > 25. right-handed A helix (nucleic acid) > 26. right-handed B helix (nucleic acid) > 27. right-handed Z helix (nucleic acid) > 28. left-handed helix with type not specified (nucleic acid) > 29. left-handed helix with type that does not > conform to an accepted category (nucleic acid) > 30. left-handed A helix (nucleic acid) > 31. left-handed B helix (nucleic acid) > 32. left-handed Z helix (nucleic acid) > > Suggested turn classifications: > 1. turn with type not specified (protein) > 2. turn with type that does not conform to an > accepted category (protein) > 3. type I turn (protein) > 4. type I prime turn (protein) > 5. type II turn (protein) > 6. type II prime turn (protein) > 7. type III turn (protein) > 8. type III prime turn (protein) > > > For reference the section of the current mmCIF dictionary on the > subject follows: > > save__struct_conf_type.id > _item_description.description > ; The descriptor that categorizes type of the conformation of the > backbone of the polymer (whether protein or nucleic acid). > Explicit values for the torsions angles that define each > conformation are not given here, but it is expected that the > author would provide such information in either the > _struct_conf_type.criteria or _struct_conf_type.reference data > items, or both. > ; > loop_ > _item.name > _item.category_id > _item.mandatory_code > '_struct_conf_type.id' struct_conf_type yes > '_struct_conf.conf_type_id' struct_conf yes > loop_ > _item_linked.child_name > _item_linked.parent_name > '_struct_conf.conf_type_id' '_struct_conf_type.id' > _item_type.code ucode > loop_ > _item_enumeration.value > _item_enumeration.detail HELX_P > ; helix with handedness and type not specified > (protein) > ; > HELX_OT_P > ; helix with handedness and type that do not > conform to an accepted category (protein) > ; > # > HELX_RH_P > ; right-handed helix with type not specified > (protein) > ; > HELX_RH_OT_P > ; right-handed helix with type that does not > conform to an accepted category (protein) > ; > HELX_RH_AL_P > 'right-handed alpha helix (protein)' > HELX_RH_GA_P > 'right-handed gamma helix (protein)' > HELX_RH_OM_P > 'right-handed omega helix (protein)' > HELX_RH_PI_P > 'right-handed pi helix (protein)' > HELX_RH_27_P > 'right-handad 2-7 helix (protein)' > HELX_RH_3T_P > 'right-handad 3-10 helix (protein)' > HELX_RH_PP_P > 'right-handed polyproline helix (protein)' > # > HELX_LH_P > ; left-handed helix with type not specified > (protein) > ; > HELX_LH_OT_P > ; left-handed helix with type that does not > conform to an accepted category (protein) > ; > HELX_LH_AL_P > 'left-handed alpha helix (protein)' > HELX_LH_GA_P > 'left-handed gamma helix (protein)' > HELX_LH_OM_P > 'left-handed omega helix (protein)' > HELX_LH_PI_P > 'left-handed pi helix (protein)' > HELX_LH_27_P > 'left-handed 2-7 helix (protein)' > HELX_LH_3T_P > 'left-handed 3-10 helix (protein)' > HELX_LH_PP_P > 'left-handed polyproline helix (protein)' > # > HELX_N > ; helix with handedness and type not specified > (nucleic acid) > ; > HELX_OT_N > ; helix with handedness and type that do not > conform to an accepted category (nucleic > acid) > ; > # > HELX_RH_N > ; right-handed helix with type not specified > (nucleic acid) > ; > HELX_RH_OT_N > ; right-handed helix with type that does not > conform to an accepted category (nucleic > acid) > ; > HELX_RH_A_N > 'right-handed A helix (nucleic acid)' > HELX_RH_B_N > 'right-handed B helix (nucleic acid)' > HELX_RH_Z_N > 'right-handed Z helix (nucleic acid)' > # > HELX_LH_N > ; left-handed helix with type not specified > (nucleic acid) > ; > HELX_LH_OT_N > ; left-handed helix with type that does not > conform to an accepted category (nucleic > acid) > ; > HELX_LH_A_N > 'left-handed A helix (nucleic acid)' > HELX_LH_B_N > 'left-handed B helix (nucleic acid)' > HELX_LH_Z_N > 'left-handed Z helix (nucleic acid)' > # > TURN_P > 'turn with type not specified (protein)' > TURN_OT_P > ; turn with type that does not conform to an > accepted category (protein) > ; > TURN_TY1_P > 'type I turn (protein)' > TURN_TY1P_P > 'type 1 prime turn (protein)' > TURN_TY2_P > 'type II turn (protein)' > TURN_TY2P_P > 'type II prime turn (protein)' > TURN_TY3_P > 'type III turn (protein)' > TURN_TY3P_P > 'type III prime turn (protein)' > # > STRN > 'beta strand (protein)' > save_ > Hi all, let me add my support to Dr. Bernsteins' proposal. As a student who does nothing but PDB database analysis, I believe this will make the job of people like me much much simpler. I suggest Dr. Bernstein to forward this mail to PDB listserver also so that it can reach a wider audience. Sandeep **************************************** * * * SANDEEP KUMAR * * M.B.U., IISC. * * BANGALORE * * 560012 * * Phone 91-80-3092534 * * sandeep@mbu.iisc.ernet.in * * * **************************************** ---------------------------------------------------------------------------- __________________________ ("`-''-/").___..--''"`-._ |WHEN THE TOUGH GETS GOING,| `6_ 6 ) `-. ( ).`-.__.`) | GOING | (_Y_.)' ._ ) `._ `. ``-..-' | GETS TOUGHER | _..`--'_..-_/ /--'_.' ,' |__________________________|(il), '' (li),' ((!.-' ----------------------------------------------------------------------------