ProForma 2.0
validated simple linear
AGRQALTLYLKEELRKRWKIAFKAW
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PEPDIA-INT-032123
BronzePepDiana tier derived from the internal quality score plus activity and literature coverage; it is not an external database rating.Syn-xiamencin-22 (AS-48 minimal domain analog, synthetic AMPs, UCLL1)
45
Quality PepDiana 0–100 composite of sequence, source, activity, literature, and cross-database evidence completeness.
1
Source DBs
0
Activities
1
Source refs
1
Literature
0
Patents
Integrated record
Sequence and molecular profile
AGRQALTLYLKEELRKRWKIAFKAW
Indexed sequence25 aa
1AGRQALTLYLKEELRKRWKIAFKAW
Length
25
Molecular weight
3076.70 Da
Formula
C145H231N41O33
Structure type
-
Synthesis
-
Chirality
-
Family
-
Gene
-
Residue composition
A
4
L
4
K
4
R
3
E
2
W
2
G
1
Q
1
T
1
Y
1
I
1
F
1
Physicochemical profile
Hydrophobic13
Membrane affinity proxy
Polar2
Solubility proxy
Charged9
Net charge proxy +5
Aromatic4
Binding interaction proxy
Versioned scientific descriptors
Physicochemical properties and standard representations
Reported properties
Legacy compatibility fields are materialized from the versioned PepDiana computed release; no separate source-reported property is available.
Computed properties
physchem-20260620Molecular weight
3076.6404 Da
Molecular formula
C145H231N41O33
Theoretical pI
10.5489
Net charge at pH 7
4.7965
GRAVY
-0.564
Instability index
61.196
Aromaticity
0.16
Topological polar surface area
1241.23 Ų
cLogP
-5.7043
Hydrogen-bond donors
46
Hydrogen-bond acceptors
38
Rotatable bonds
105
Method: PepDiana sequence/structure descriptor pipeline
Tool: Biopython+RDKit · Biopython 1.85; RDKit 2024.09.6
Calculated: 2026-06-20T11:01:38.358971+00:00
Assumptions: ph=7; termini=free N-terminus and free C-terminus for simple linear peptides; stereochemistry=standard L-amino acids; smiles_length_limit=200
Sequence representations
HELM 2.0
validated simple linear
PEPTIDE1{A.G.R.Q.A.L.T.L.Y.L.K.E.E.L.R.K.R.W.K.I.A.F.K.A.W}$$$$V2.0
Canonical SMILES
validated
CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(C)N)C(C)O)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
Isomeric SMILES
validated
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Follow-up research
External analysis tools
Run BLASTPSearch similar protein or peptide sequences at NCBI.Search UniProtLook for related UniProtKB entries using the sequence.Search PubMedFind literature context for this peptide record.Search PubChemOpen chemistry search with the canonical SMILES string.
Links open third-party resources with the current PepDiana sequence, record name, or chemistry notation as the initial query.
Research workflow
Citation and local history
BibTeX
@misc{PEPDIA-INT-032123,
title = {Syn-xiamencin-22 (AS-48 minimal domain analog, synthetic AMPs, UCLL1)},
author = {{PepDiana Consortium}},
year = {2026},
howpublished = {PepDiana Multifunctional Peptide Database},
url = {http://127.0.0.1:3004/peptides/PEPDIA-INT-032123},
note = {Accessed from local PepDiana development build}
}APA-style note
Syn-xiamencin-22 (AS-48 minimal domain analog, synthetic AMPs, UCLL1). (2026). PepDiana record PEPDIA-INT-032123. PepDiana Multifunctional Peptide Database. http://127.0.0.1:3004/peptides/PEPDIA-INT-032123
This record is saved to local recent-view history so it can reappear on the peptide browser page.
Provenance
Source database records (1)
Citation trail
Literature (1 records)
Rationally Designed Minimal Bioactive Domains of AS-48 Bacteriocin Homologs Possess Potent Antileishmanial Properties
Corman HN, Ross JN, Fields FR, Shoue DA, McDowell MA, Lee SW.2022
Audit surface
Raw annotations and release metadata
Integrated record last updated: 2026-04-15T00:59:12.728292+00:00
Modification summary
No structured modification annotations are available for this record.
Source metadata
[
{
"source_db": "apd",
"organism_name": "Unknown"
}
]