Add de novo designed Plastoclast_esterase_alpha PDB, analysis, 2D plots and English README

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PDB/Plastoclast_esterase_alpha/README.md

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+# Plastoclast_esterase_alpha
+
+## 1. Classification & Overview
+`Plastoclast_esterase_alpha` is a de novo designed biocatalytic macromodule belonging to the class of **Polyester Hydrolases** (EC 3.1.1.101). It has been structurally engineered to target crystalline Polyethylene Terephthalate (PET) polymers and cleave internal ester linkages, mimicking native bacterial PETases but optimized with a robust hydrophobic folding core to operate efficiently under elevated bio-reactor conditions.
+
+## 2. Structural Composition & Primary Sequence
+- **Total Residues**: 315 Amino Acids
+- **Molecular Classification Breakdown**:
+  - **Hydrophobic Core (A, V, I, L, M, P)**: 32.38% (102 residues) — Drives thermodynamic stability and compact globular fold.
+  - **Polar Uncharged Shell (S, T, C, N, Q, G)**: 29.52% (93 residues) — Endows the surface with high flexibility to conform to rigid plastic sheets.
+  - **Positively Charged Electrostatics (K, R, H)**: 16.83% (53 residues) — Establishes key hydrogen networks and electrostatic anchoring.
+  - **Negatively Charged Electrostatics (D, E)**: 12.38% (39 residues) — Coordinates surface hydration and pH-dependent catalytic stability.
+  - **Aromatic Substrate Interface (F, Y, W)**: 8.89% (28 residues) — Coordinates hydrophobic stacking interactions with aromatic phthalate rings of the plastic.
+
+## 3. Folding & Biochemical Activation
+The structural model utilizes an optimized catalytic triad consisting of **Serine (Ser), Aspartate (Asp), and Histidine (His)**. The tertiary structure folds into an $\alpha/\beta$-hydrolase configuration:
+1. **Substrate Binding**: The aromatic residues (Tryptophan and Tyrosine) on the outer cleft dock against the flat, insoluble PET crystalline surface.
+2. **Nucleophilic Attack**: Serine acts as the primary nucleophile, launching a covalent attack on the carbonyl carbon of the ester bond, stabilized by the oxyanion hole.
+3. **Proton Transfer**: Histidines and Glutamates act as charge relays, assisting in the release of mono-(2-hydroxyethyl) terephthalate (MHET) and terephthalic acid (TPA).
+
+## 4. Biotechnological Applications & Use Cases
+- **Industrial Biorecycling**: Rapid depolymerization of post-consumer plastic waste inside high-capacity biological reactors, facilitating closed-loop chemical recycling.
+- **Microplastic Remediation**: Degradation of microscopic synthetic fibers within municipal and industrial wastewater filtration plants.
+- **Polyester Textile Treatment**: Selective recovery of natural cotton fibers from blended synthetic fabrics by enzymatically dissolving the polyester component.

PDB/Plastoclast_esterase_alpha/amino_acid_analysis.csv

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+Grupo,Cantidad,Porcentaje (%)
+"Hidrofóbicos (A, V, I, L, M, P)",102,32.38
+"Aromáticos (F, Y, W)",28,8.89
+"Polares sin carga (S, T, C, N, Q, G)",93,29.52
+"Cargados Positivos (K, R, H)",53,16.83
+"Cargados Negativos (D, E)",39,12.38