We use the term "superclass" to denote four major folding classes of globular single-domain proteins: "alpha"; "alpha-beta"; "beta"; and "irregular". Within each of these superclasses, we define more specific "macroclasses" that are defined and summarized in the following discussion.
Each macroclass is modeled probabilistically in terms of the allowed
secondary structural elements, their lengths, connectivity, and amino
acid compositions. The following is a summary of current single-domain
types of DSMs we have developed for twenty four different classes of
tertiary structures. The "domain length range" for each macroclass is
described by upper and lower bounds on the lengths of primary sequences
our DSMs for this class generate. The length of a sequence generated by
our DSMs falls within the specified domain length range with probability
0.9.
The macroclass ABOX has a minimum of five, and an average of
a little more than six, amphipathic alpha helices. One DSM of
this type has been constructed to cover the domain length range
of from 160 to 351 amino acids.
DSMs for Type-1 Alpha Domains
Three alpha macroclasses are defined.
Return to top of Type-1 DSM descriptions.
The macroclass B6 has a minimum of five beta strands with sufficient length variation to cover that expected for a beta domain with a single beta sheet. Eight DSMs have been constructed to cover the domain length range from 73 to 278 amino acids.
The macroclass B9 has a minimum of eight beta strands with
sufficient length variation to cover that expected for a beta
domain with one or two beta sheets. Eight DSMs have been
constructed to cover the domain length range from 103 to 370
amino acids.
The macroclass B12 has a minimum of eleven and a mean of
twelve beta-strands with sufficient length variation to cover
that expected for a beta domain with two beta sheets or a beta
barrel. Eight DSMs have been constructed to cover the domain
length range from 121 to 451 amino acids.
The macroclass BS has from five to twelve amphipathic strands
exposed to the solvent. They form one beta sandwich and have
lengths that are more constrained than in the B6, B9, and B12
macroclasses. Four DSMs have been constructed to cover the
domain length range from 71 to 290 amino acids.
The macroclass BPROB4 has 4 small beta sheets arranged
symmetrically in a cylinder. Each beta sheet has 4, and
occasionally 3, beta strands. Eight DSMs have been constructed
to cover the domain length of from 207 to 333 amino acids.
The macroclass BPROB5 has 5 small beta sheets arranged
symmetrically in a cylinder. Each beta sheet has 4, and
occasionally 3, beta strands. Eight DSMs have been constructed to
cover the domain length of from 261 to 405 amino acids.
The macroclass BPROB6 has 6 small beta sheets arranged
symmetrically in a cylinder. Each beta sheet has 4, and
occasionally 3, beta strands. Eight DSMs have been constructed
to cover the domain length of from 338 to 504 amino acids.
The macroclass BPROB7 has 7 small beta sheets arranged
symmetrically in a cylinder. Each beta sheet has 4, and
occasionally 3, beta strands. Eight DSMs have been constructed
to cover the domain length of from 393 to 578 amino acids.
The macroclass BPROB8 has 8 small beta sheets arranged
symmetrically in a cylinder. Each beta sheet has 4, and
occasionally 3, beta strands. Eight DSMs have been constructed
to cover the domain length of from 404 to 600 amino acids.
The macroclass BPROB9 has 9 small beta sheets arranged
symmetrically in a cylinder. Each beta sheet has 4, and
occasionally 3, beta strands. Eight DSMs have been constructed
to cover the domain length of from 453 to 600 amino acids.
The macroclass SAB has alternating alpha helices and beta strands forming one layer consisting of an antiparallel beta sheet and another layer consisting of alpha helices. There are 2,3,4,5 strands in the beta sheet. Four DSMs have been constructed to cover the domain length range from 59 to 240 amino acids.
The macroclass AB5 has a sequence of beta strands alternating
with alpha helices or long loops with a large standard deviation
on the lengths of the beta strands. There are 4, 5, or 6 such
repeats. Fifteen DSMs have been constructed to cover the domain
length range from 107 to 267 amino acids.
The macroclass AB8 has a sequence of beta strands alternating
with alpha helices or long loops with a large standard deviation
on the lengths of the beta strands. There are 7, 8 or 9 such
repeats. Twenty four DSMs have been constructed to cover the
domain length range from 196 to 365 amino acids.
The macroclass IR is composed of beta hairpins, loops, and short amphipathic alpha helices. Four DSMs have been constructed to cover the domain length range from 53 to 132 amino acids.
The macroclass IRA is composed only of loops and short
amphipathic alpha helices. Four DSMs have been constructed to
cover the domain length range from 48 to 116 amino acids.
Macroclass Average No. Elements Example Protein Name Description Helices Strands Turns --- ALPHA DOMAINS --- ABOX box 6.5 0.0 2.1 Hemoglobin APB general bundle 4.0 0.0 3.0 Myohemerythrin interleukin bundle 4.0 0.0 0.3 Interleukin DA diffuse 13.0 0.0 4.3 Lambda repressor (one domain) --- ALPHA-BETA DOMAINS --- SAB alpha-beta sandwich 3.9 3.5 4.8 Ferredoxin AB5 central beta sheet 6.1 5.1 7.0 Flavodoxin AB8 central beta sheet 9.1 8.1 11.0 Glutathione peroxidase AB8BL central beta barrel 7.5 8.0 9.5 Triose phosphate isomerase DAB diffuse 7.5 7.8 9.1 Lactate dehydrogenase (domain 2) --- BETA DOMAINS --- B6 5 to 7 strands 1.3 6.0 3.0 Concanavalin A B9 8 to 10 strands 1.5 9.0 4.5 Tomato bushy stunt virus B12 11 to 13 strands 1.6 12.0 6.0 Endothiapepsin BS amphipathic strands 1.3 8.5 4.0 Macromomycin BPROB4 4-bladed propeller 2.7* 14.0 11.5 Hemopexin BPROB5 5-bladed propeller 3.3* 17.5 14.2 (no example in PDB) BPROB6 6-bladed propeller 4.0* 21.0 17.0 Sialidase BPROB7 7-bladed propeller 4.7* 24.5 19.6 G protein beta subunit BPROB8 8-bladed propeller 5.3* 28.0 22.4 Methanol dehydrogenase BPROB9 9-bladed propeller 6.0* 31.5 25.0 (no example in PDB) PORIN transmembrane beta barrel 0.2 17.5 5.2 Ompf Porin DB diffuse 2.7 20.0 13.0 Rhizopuspepsin --- IRREGULAR DOMAINS --- IRLT loops, turns 0.0 0.0 1.3 Insulin-like growth factor IRA loops, helices 1.4 0.0 0.0 Ferrocytochrome IRLS loops, turns, strands 0.0 2.1 3.4 Fd Phage gene 5 IR general 1.5 3.0 1.4 Ferredoxin
* These are mostly short helices with less than seven residues.
Go to:
Please direct your questions and comments about these Web pages and the PSA e-mail server to:
Bob Rogers <rogers@darwin.bu.edu>Last modified: Thu Oct 26 10:33:07 EDT 2000
BioMolecular Engineering Research Center
Boston University, Boston Massachusetts