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STING
Millennium is a new Java-based WWW tool for the simultaneous display
of information about macromolecular structure (in STING Millennium
Graphics Window) and sequence (in STING Millennium Sequence Window).
Includes graphical amino acid Contacts, Ramachandran plot, Surfaces,
Sequence neighbors and other features. Parsing of data from relevant
Data Bases (HSSP and SwissProt) is one of the key features of this
integrated environment for structure/function analysis of the proteins,
DNA and their complexes. To see the 3D structure
you need to download
and install the CHIME plugin (support for this plugin was discontinued).
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STING_TGZ
module generates a compressed file containing all the files used by
several STING's modules, for example, JPD (Java Protein Dossier).
These files are saved in different directories within the compressed
file. If your research project needs to analyze the same pdb file
very often, the best way to save time (in downloading data from internet)
is to use STING_TGZ module. |
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BLUE STAR
STING Report is a web based application for extracting concise and
focused information from the BLUE STAR STING Data Base on specific amino
acids within the structures described in PDB files. The extracted
information is presented to a user through a series of GIF images
and a table of numerical values for the set of structure/function
descriptors/parameters, generated by the BLUE STAR STING components. The
resulting HTML page with the GIF images and the table is ready to
be printed and most importantly, it can be visualize at platforms
with the most elementary configurations (no java, chime, plug-ins
etc.). Below is a schematic view of GIF image panels which are generally
produced by the BLUE STAR STING Report. We have used 1cho.pdb, chain E,
residue HIS_57 to generate BLUE STAR STING Report for this help. Other
panels will be added with the time, making BLUE STAR STING Report GIF image
collection more extensive. |
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Java
Protein Dossier is a interactive presentation of important physical-chemical
characteristics of the macromolecular structure described in PDB file.
With a few mouse clicks the user can access data about chosen parameter,
call other STING modules or refine the search for a specific characteristics.
By using color code scales for each residue of the sequence, JPD shows
corresponding: temperature factor, solvent accessibility of the single
chain (and also in complex with the other present chains in given
PDB file), hydrophobicity, sequence conservation in a multiple alignment
(relative entropy), double occupancy, reliability and histograms representing
the atomic contacts. JPD also shows the identification of Interface
Forming Residue (IFR) and their internal contacts. JPD offers information
about electrostatic potential and curvature on protein surface. In
addition, comparison of the Secondary Structure annotated by PDB,
by DSSP and by Stride is presented. |
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XY
Graphics Java Plot is the STING component which permits to a user
to examine one of 150 different parameters in a simple yet intuitive
plot showing the numerical values at the Y-axes and the sequence residue
numbers at the X-axis. |
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The
Multiple Structures - Single Parameter 2D module allows the user to
compare, in a graphical manner, any one of the 150 different parameters
in different protein structures in a simple yet intuitive plot. The
plot shows the numerical values in the Y-axis and the sequence residue
numbers in the X-axis. |
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PDB
Metrics can retrieve specific data from the Protein Data Bank (PDB).
It provides residues occurrences in the whole PDB repository, keywords
search, PDB sorted by file size, PDB sorted by number of chains, PDB
sorted by resolution of 3D data, protein families classification,
among other facilities. |
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Considering
its relevance for researchers interested in protein analysis, the
module Sting_DB Quality Assessment (QA) was designed to measure the
quality of the data deposited in the Sting_DB. On a weekly basis,
a checklist procedure is performed to identify the parameters/files
that are both missing and/or empty for the new PDB files added to
the database. The main goal of such a procedure is to guarantee that
the quality of the data will not be degraded as the updates take place.
When the checklist procedure identifies a group of parameters that
are missing and/or empty, a report is automatically sent to the Sting_DB
administrator who will run a set of scripts to update the parameters
concerning the new PDB files, and subsequently, perform the checklist
procedure to evaluate the quality of the updated data. |
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SCORPION
is the WWW tool for analysis of the amino acid frequencies within
protein chain(s) (of given pdb file or group of pdb files) as well
as for analysis of 3D contacts between the C-alpha and/or Last Heavy
Atoms in the amino acid side chain (LHA). |
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Calculation
of the residue frequency and atomic contacts from interfacial areas
between two or more protein chains, for a given (list of) PDB file(s). |
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Intelligent
graphical presentation of the Ramachandran Plot using all advantages
of Java programming language; Options allow inter connection of data
in dihedral angle plot with 3D structure of the molecule. A number
of subsets among amino acids can be highlighted for better correlation
among 3D structure position and Psi/Phi spot. |
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This
service presents PDB file sequence and consensus sequence (as found
in HSSP) colored by conservation, color coded graphic bars of relative
entropy, information about residues present in other homologous sequences,
with their respective frequency. For fast visualization, this program
generates the sequence logo. |
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SMS_MSA stands for the new STING component: Multiple Sequence Alignment.
Those sequences are extracted both from HSSP and from our own SH2Qs
(Sequences Homologue to the Query [Structure-having] Sequence). The
latter one is designed so that we can benefit from the possibility
of making a choice of the number of sequences that we want to consider
in the relative entropy calculation. SMS_MSA will use standard MSA
viewer package: SeaView. |
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SMS_P3 stands for STING Phylogenetic Tree component. Phylogenetic
tree is generated starting from either HSSP or SH2Qs
multiple sequence alignments. TreeView standard viewer package is
used to present to a user calculated phylogenetic trees.
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The
atomic contacts between amino acids in a PDB entry received a special
attention. The complete profile of the interactions can be analyzed
in the contacts window containing HTML table, which displays residue
name and number, its pair in contact establishing, type of the contact,
distance between contacting atoms and accessibility and entropy of
two contacting residues. |
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The
atomic contacts between amino acids belonging to facing chains in
a given PDB entry received a special attention. The complete profile
of the interactions across the interface can be analyzed in the contacts
window containing HTML table, which displays residue chain name, residue
name and number, its pair in contact establishing across the the interface,
type of the contact, distance between contacting atoms and accessibility
and entropy of two contacting residues. |
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This STING component demonstrates relevant contacts being established
across the interface formed by protein and DNA chain. Similar logistics
is used here as in IFR Graphical Contacts. |
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Java
Table of Contacts is a interactive tool for listing contacts between
residues of one protein and dividing them in specific classes. JTC
shows all contacts for a specified residue, IFR Contacts and also
Protein-DNA Contacts (the latter one starting from STING version 3.1).
This interactive tool allows user to access other STING components
or have physical-chemical parameters already "painted" within
the table, such as: relative entropy, accessibility, secondary structure
and the distance for the identified contacts. The user can make a
choice of the residues important for his consideration, make them
appropriately displayed and then print the table of publication quality. |
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Contacts
Distance Map (CDM) is a STING's module. It is designed to display
graphically all the protein's contacts. Moreover, the Secondary Structure
(SS) elements are also shown in a single line, facilitating theirs
visualization for each residue, and contour curves distances maps
involving a carbon, ß carbon and LHA-LHA (Least Heavy Atom)
are presented in a Java interactive interface. |
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In
STING_PCD users can obtain a complete comparison report of the intrachain
interactions for any two chains described in the PDB format file.
The user must supply any two PDB ids and corresponding chain ids for
the analysis. At the output, a user will receive a list of interactions
which were preserved in both chains as well as the list of those which
are present in only one of them. Users can also analyse a wild type
protein and a corresponding mutant structure with a single point mutantion;
in this case a user needs to supply at the input, the mutated amino
acid name and the number. |
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STING_TopSiMap
is a module which makes possible to compare the contact maps of two
chains in terms of the preserved interactions as well as the ones
which are present in only one of the two chains analysed. Users can
see / print the images of the maps and also view the contacts in a
JMol window where STING presents two structurally aligned chains.
Users can also compare the chains in terms of the contacts classification
(hydrophobic, aromatic stacking, hydrogen bonds, salt bridges and
cysteine bridges) and corresponding energies. |
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The
Java Ca-Ca Distance Plot
is a diagram where the distances between the alfa carbon of one residue
and all alfa carbon atoms of other residues, within a single chain
of the PDB file, are represented by colored squares in a symmetrical
plot. |
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The Java CB-CB Distance
Plot is a diagram where the distances between the beta carbon of one
residue and all beta carbon atoms of other residues, within a single
chain of the PDB file, are represented by colored squares in asymmetrical
plot.
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Visual
aid to display multiple sequence alignments with the amino acids colored
by physico-chemical properties. STINGpaint now supports the following
sequence and Multiple Sequence Alignment (MSA) formats: Coloring sequence
of any PDB entry, Coloring any sequence in FASTA format, Coloring
MSA in CE (Ilya N. Shindyalov and Philip E. Bourne (1998)) and PRISM
(Yang, A.S. & Honig, B. (1999)) output format. Also Coloring MSA in
CLUSTAL-W, PSI-BLAST and GCG output format. |
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Image
of the amino acid sequence along with the secondary structure elements
rendered as cartoons. |
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This
service provides a graphical report of several important structural
characteristics of the PDB entry. It offers a plot from PDB cartoon
annotated with color coded scales representing for each amino acid
the corresponding temperature factor, solvent accessibility of the
chain in isolation and in complex with the other present chains in
PDB file, sequence conservation in a multiple alignment (relative
sequence entropy) and histograms representing the atomic contacts
(as in the Graphical contacts module), as well as IFR residue identification
and IFR contacts. In addition, comparison of the Secondary Structure
annotated by PDB and by DSSP is presented. |
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Programs
from Historical Archives (Not Maintained since
STING 1.0) |
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This module performs calculation and visualization of hydrogen bonds
between two protein chains with special attention given to water molecules
(trapped between two chains) participating in H-bond formation. |
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PDBSearch
is a simple WWW tool for Searching the PDB by keyword, PDB code etc.. |
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STING
is a WWW tool for the simultaneous display of information about macromolecular
structure (in STING's Graphics Frame) and sequence (in Sting's Sequence
Frame). |
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The
atomic contacts between amino acids in a PDB entry received a special
attention. The complete profile of the interactions can be analyzed
in the graphical contacts window, which displays the primary sequence
of a chain and below it a histogram containing the number of contacts
made by the respective residue. Virtual contact line connects residue
of interest with other ones in contact with it, in a form of fan.
This presentation is very intuitive and user can easily grasp contact
parameters along the protein sequence. In case of IFR contacts, IFR
are underlined with red line for easy identification. |
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IFR
contacts now includes also those residues that can make contact but
do not belong to the INTERFACE! This is because Interface Forming
Residues are strictly defined based on solvent accessibility. However,
even those residues on the surface of facing chains that did NOT loose
accessibility to the solvent, still can make for example HB, as the
distance from donor to the acceptor is larger than the diameter of
the water molecule used to define IFRs. See blue underlined residues
(extended interface) in PD Interface (red underlined) [D_25 and N_29
in Chain 1]{in PD example under the pointer ®
on the left!}. Note: as IFR Graphical Contacts does not have access
to data on solvent accessibility, above mentioned residues are underlined
in red as if they belong to the Interface ensemble strictu sensu!
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Serine
Protease super-family Interface Data Resource (SPIDER) is an expanding
collection of sequence, structural and functional information about
the Serine Proteases Interface Forming Residues located around Active
Site. |
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Evaluation
of Multiple Alignments: A Comparison of Phylogenetic trees based on
sequence alignments and structure alignments. EMA is a Data Resource
available over WWW. |
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