ATLPC0000948

ATLPC0000948 — ADMETatlas

Structure and chemistry interpretation

Chemical representationsequence / HELM only

Representation class

How the current release can interpret this identity chemically.

plain sequence-like

Parent-residue sequence

Residue string used for positional interpretation when available.

MKGSWWRRVAMIALSAGLLAGSLSMGTGIRKADAAAGNQNYAEALQKAIYFYEAQRSGPLPASNRVEWRGNSGIQDGADVGVDLTGGWYDAGDHVKFGFPMAASATMLAWSVVEYSDGYEQAGQLEEIKDNIRWATDYFMKAHTKPNELWGQVGAGNTDHAWWGPAEVMQMNRPSFKIDASCPGSDLAAETAAALAASSIVFADDDPAYSARLLQHAKELYNFAYTYRGEYTDCITDAAAFYNSWTGYEDELAWGGAWLYLATNDSAYLSKAIAATDRWSSSGGSANWPYTWTQGWDSKHYGAQILLARITSSLNMPEATRFIQSTERNLDYWTVGVNGTRVKYTPGGLAWLDQWGSLRYAANASFISFVYSDWVSDPVKKSRYQDFAVSQMNYILGDNPRQSSYVVGYGQNAPQHPHHRTAHGSWLNNEDIPANHRHILYGAMVGGPDASDGYTDDIGDYVSNEVATDYNAGFTGALAKMNLLFGQNHQPLANFPAPEVKGDEFFVEAAIKSSGANYTEIRAQLNNRSAWPARMGDQLSFKYFLDLSEVYAAGRTVSDVQVTTSYTEGATVSQPVVVNAAQHIYAITANFGNTKIYPGGEGNYRKEVQFRITGPQGAWNASNDHSFQTLTTGTPVKSIYLPVYDAGVKVYGQEPGLTPVTVPGAPAGVQAVAGSSQVNLTWAAVSGAESYTVKRSEVSGGPYTTVATGVNGLTYTNTGLTNGTTYYYVVTAVNSAGESSGSVQVSATPQAASTVPGALTLSGTAGNAQSVLTWTTASGATTYKVQRSVAGGTYADVATGLSVLTYTDTTALNGTTYNYRIAAVNANGQTLSNVLALTPSAPPVTTGTLEVQYRSGGSGNSSNAATPQFNVKNTGTQAIDLSTVKIRYYFTKDGADQMTFWCDYAEMGTANVEGTFVTVNPAKGTADTYLEISFKSGAGSLAAGAETGVIQARFSKNNWSNFDLSNDYSYDASKTAFAAWNKVTGYQGNTKVWGLEP

HELM

Polymer notation for modified peptide representation when available.

Not available

SMILES

Chemical graph string used for atom-level 2D depiction when available.

Not available

No atom-level graph

A reviewed SMILES is required before a 2D molecular depiction can be shown. Sequence and HELM remain useful for identity interpretation, but they do not replace a chemical graph.

3D structure referencesnone attached

3D structure not available

A 3D structure isn't available for this peptide in the current release. Chemistry and topology fields remain available when represented by sequence, HELM, or SMILES.

Covalent topology & modificationsnone

No explicit topology annotation

No disulfide, staple, coordination, other cross-link, or residue-level modification annotation is attached to this peptide in the current release.

Interpretation: A 2D graph describes connectivity, not conformation. A 3D reference describes one coordinate model or solved state, not the full ensemble. ADMET interpretation should account for peptidoform, topology, and assay context together.

Computed descriptors

Core descriptors997 aa · pI 5.0 · GRAVY -0.31

Length: 997 aa
Monoisotopic mass: 106905.79 Da
Average mass: 106971.96 Da
Net charge at pH 7.4: -19.60
Estimated pI: 5.02
GRAVY: -0.306
KD-positive residues: 33.5%
Aromatic residues: 11.8%

Developability interpretation

Ionization context: pH 7.4 separated from pI
Hydrophobicity balance: Leans hydrophilic
Amphipathic moment (μH): 0.05
Computation boundary: Standard-sequence only

Charge & residue composition

pH charge context

Modeled net charge across common formulation and assay pH checkpoints.

pH 2

79.07

pH 5

0.31

pH 6

-9.54

pH 7.4

Hydropathy & amphipathic windows

Hydropathy windows

Seven-residue sliding windows expose local patches hidden by whole-sequence GRAVY.

Most hydrophobic window

9-15

VAMIALS

GRAVY 2.457

Most hydrophilic window

380-386

KKSRYQD

GRAVY -3.057

991 local hydropathy windows scanned. A local patch is context for solubility, adsorption, and membrane interaction review, not a standalone endpoint.

Amphipathic-window scan

Top alpha-helix hydrophobic-moment windows across 12, 15, 18, and 21 residues.

Sequence-liability cues

Sequence-liability notes

Motifs are review prompts for formulation or CMC interpretation; they are not degradation predictions.

Asn deamidation motif

NG, NS, NT · pos 71, 157, 243, 338, 593, 711 +8

Asn followed by small/polar residues is a known sequence context to review for deamidation susceptibility.

Asp isomerization motif

DG, DP, DS, DT · pos 76, 117, 206, 265, 297, 377 +4

Asp-containing motifs can merit review for isomerization or related degradation pathways.

Oxidation-sensitive residues

M, W, C · pos 1, 5, 6, 11, 25, 68 +41

Met, Trp, and Cys residues can merit formulation review for oxidation or covalent-state sensitivity.

Alpha-helix amphipathic projection

Helical wheel · Edmundson projection

μ_H = 0.05100°/residue · 997 aa

Method notes

Charge model: side-chain pKa D 3.9, E 4.1, C 8.5, Y 10.1, H 6.5, K 10.8, R 12.5 with EMBOSS termini. pI is estimated by binary search on modeled net charge. Hydropathy uses Kyte-Doolittle values; hydrophobic moment follows the Eisenberg alpha-helix vector-sum convention. When the basis is a parent-residue sequence, modified chemistry is intentionally not inferred.

5. Excretion / Persistence

What evidence describes clearance or persistence?

Evidence summary

Measurements

Measurements, observations, and support attached to this domain.

Endpoint scope

Formal ADMET endpoints represented for this peptide.

Comparable measurements

Rows suitable for comparison only within matching endpoint and assay context.

Reported observations

Reviewed observations retained without being collapsed into comparable values.

Domain scope

Endpoints define the scientific questions in this domain; the measurements below carry the values and assay context.

Half Life

Clearance and half-life evidence.

Evidence interpretation

The same three research-facing layers are used across ADMETatlas.

Comparable measurements

Endpoint-ready rows with structured values and assay context.

Evidence by endpoint

Rows are grouped by endpoint so value, assay context, interpretation layer, and reference can be checked in place.

Half Life1 measurement · 0 comparable · 1 reported · 0 contextual

#	Value	Evidence layer	Assay / model	Condition	Reference
1	Observation 59.2 (Activity Half Life)	Reported	natural	Time: 50°C · In Vitro	Open

Interpretation: Clearance and half-life require route, matrix, species/population, and time-scale context before comparison.

Evidence landscape and measurement index

Evidence landscape

A cross-domain view of where evidence is concentrated, which interpretation layers dominate, and how traceable the measurements are.

ADMET domain

Comparable

Reported

Contextual

Exposure / Absorption

0 measurements

Distribution / Barrier

0 measurements

Metabolic & Proteolytic Stability

0 measurements

Excretion / Persistence

1 measurement

Toxicity / Safety

0 measurements

Endpoint distribution

Top evidence-bearing endpoint questions.

Half Life

Assay context

Broad context buckets, useful before comparing values.

Unspecified

Traceability

Reference-link availability for measurement-level audit.

Linked reference

Not linked

All evidence index

Every measurement remains available for audit and drilldown. Counts describe evidence volume, not confidence.

DomainLayerReference

#	ADMET domain	Endpoint	Reported value	Evidence layer	Assay / model	Condition	Reference
1	Excretion / Persistence Persistence	Half Life	Observation 59.2 (Activity Half Life)	Contextual	natural	Time: 50°C · In Vitro	Open

1–1 / 1

Identity & reference map

Summary1 reference group

Identity type: canonical sequence
Reported notation: 1
Reference groups: 1
Measurements: 1
ATL peptide ID: ATLPC0000948

Identity concordance

Exact reported notation

Reported sequence string matches the current peptide notation.

1 / 1

Parent-residue compatible

Reported notation differs, but resolves to the same parent-residue display.

0 / 1

Different notation

Reported notation does not resolve to the current display sequence.

0 / 1

Reference map1 of 1 shown

Reference map

Grouped by reference link, with endpoint scope and reported identity kept visible.

Reference	Supports	Reported identity	Records
PubMed 29385666 Open	Persistence Half Life	No reported alias MKGSWWRRVAMIALSAGLL...AWNKVTGYQGNTKVWGLEPexact	1 identity 1 evidence

Interpretation: Reference links and reported notations help confirm that measurements point to the same peptide identity or a compatible peptidoform. ADMET interpretation still belongs to the endpoint modules above, where assay/model and condition context are shown with each measurement.

Data access & reproducibility

Record scopePublic release

ATL peptide ID: ATLPC0000948
Identity type: canonical sequence
ADMET endpoints: 1
Measurements: 1
Reference groups: 1
Release view: Public release

Analysis-ready files

Peptide record

TSV

Identity, sequence, profile-level fields, and current release view metadata.

Download record

Programmatic access

The request returns the same structured peptide record used by this profile. Measurement downloads use the same peptide identifier and public release visibility.

Open endpoint

GET /api/v1/peptides/ATLPC0000948

open

curl -sS 'https://admetatlas.scbdd.com/api/v1/peptides/ATLPC0000948' \
  -H 'accept: application/json' \
  -H 'X-Visibility: public_release'

Interpretation: Use these files as the reproducible data package for this peptide profile. Cross-peptide comparison still depends on compatible endpoints, assays, species or model systems, route, dose, matrix, and evidence layer.

Reported sequence notation

Exact1 reference

MKGSWWRRVAMIALSAGLLAGSLSMGTGIRKADAAAGNQNYAEALQKAIYFYEAQRSGPLPASNRVEWRGNSGIQDGADVGVDLTGGWYDAGDHVKFGFPMAASATMLAWSVVEYSDGYEQAGQLEEIKDNIRWATDYFMKAHTKPNELWGQVGAGNTDHAWWGPAEVMQMNRPSFKIDASCPGSDLAAETAAALAASSIVFADDDPAYSARLLQHAKELYNFAYTYRGEYTDCITDAAAFYNSWTGYEDELAWGGAWLYLATNDSAYLSKAIAATDRWSSSGGSANWPYTWTQGWDSKHYGAQILLARITSSLNMPEATRFIQSTERNLDYWTVGVNGTRVKYTPGGLAWLDQWGSLRYAANASFISFVYSDWVSDPVKKSRYQDFAVSQMNYILGDNPRQSSYVVGYGQNAPQHPHHRTAHGSWLNNEDIPANHRHILYGAMVGGPDASDGYTDDIGDYVSNEVATDYNAGFTGALAKMNLLFGQNHQPLANFPAPEVKGDEFFVEAAIKSSGANYTEIRAQLNNRSAWPARMGDQLSFKYFLDLSEVYAAGRTVSDVQVTTSYTEGATVSQPVVVNAAQHIYAITANFGNTKIYPGGEGNYRKEVQFRITGPQGAWNASNDHSFQTLTTGTPVKSIYLPVYDAGVKVYGQEPGLTPVTVPGAPAGVQAVAGSSQVNLTWAAVSGAESYTVKRSEVSGGPYTTVATGVNGLTYTNTGLTNGTTYYYVVTAVNSAGESSGSVQVSATPQAASTVPGALTLSGTAGNAQSVLTWTTASGATTYKVQRSVAGGTYADVATGLSVLTYTDTTALNGTTYNYRIAAVNANGQTLSNVLALTPSAPPVTTGTLEVQYRSGGSGNSSNAATPQFNVKNTGTQAIDLSTVKIRYYFTKDGADQMTFWCDYAEMGTANVEGTFVTVNPAKGTADTYLEISFKSGAGSLAAGAETGVIQARFSKNNWSNFDLSNDYSYDASKTAFAAWNKVTGYQGNTKVWGLEP

Current identity

MKGSWWRRVAMIALSAGLLAGSLSMGTGIRKADAAAGNQNYAEALQKAIYFYEAQRSGPLPASNRVEWRGNSGIQDGADVGVDLTGGWYDAGDHVKFGFPMAASATMLAWSVVEYSDGYEQAGQLEEIKDNIRWATDYFMKAHTKPNELWGQVGAGNTDHAWWGPAEVMQMNRPSFKIDASCPGSDLAAETAAALAASSIVFADDDPAYSARLLQHAKELYNFAYTYRGEYTDCITDAAAFYNSWTGYEDELAWGGAWLYLATNDSAYLSKAIAATDRWSSSGGSANWPYTWTQGWDSKHYGAQILLARITSSLNMPEATRFIQSTERNLDYWTVGVNGTRVKYTPGGLAWLDQWGSLRYAANASFISFVYSDWVSDPVKKSRYQDFAVSQMNYILGDNPRQSSYVVGYGQNAPQHPHHRTAHGSWLNNEDIPANHRHILYGAMVGGPDASDGYTDDIGDYVSNEVATDYNAGFTGALAKMNLLFGQNHQPLANFPAPEVKGDEFFVEAAIKSSGANYTEIRAQLNNRSAWPARMGDQLSFKYFLDLSEVYAAGRTVSDVQVTTSYTEGATVSQPVVVNAAQHIYAITANFGNTKIYPGGEGNYRKEVQFRITGPQGAWNASNDHSFQTLTTGTPVKSIYLPVYDAGVKVYGQEPGLTPVTVPGAPAGVQAVAGSSQVNLTWAAVSGAESYTVKRSEVSGGPYTTVATGVNGLTYTNTGLTNGTTYYYVVTAVNSAGESSGSVQVSATPQAASTVPGALTLSGTAGNAQSVLTWTTASGATTYKVQRSVAGGTYADVATGLSVLTYTDTTALNGTTYNYRIAAVNANGQTLSNVLALTPSAPPVTTGTLEVQYRSGGSGNSSNAATPQFNVKNTGTQAIDLSTVKIRYYFTKDGADQMTFWCDYAEMGTANVEGTFVTVNPAKGTADTYLEISFKSGAGSLAAGAETGVIQARFSKNNWSNFDLSNDYSYDASKTAFAAWNKVTGYQGNTKVWGLEP

Reported names

No distinct human-readable aliases are exposed.

ATLPC0000948

Peptide developability profile

1. Sequence & peptidoform

Sequence interpretation

2. Structure & chemistry

Structure and chemistry interpretation

3. Physicochemical profile

Computed descriptors

Computed developability descriptors

4. Product context

Translational product context

5. Excretion / Persistence

Evidence summary

6. Evidence landscape

Evidence landscape and measurement index

7. Identity & reference map

Identity & reference map

8. Data access & reproducibility

Data access & reproducibility

Peptide record

Evidence table

Structured record