carbonara

CARBonAra in Protein Design: Predicting sequence from carbon skeleton

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1. Step 1: Import human haemoglobin atom structure using the protocol import atomic structure appendix)

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2. Step 2: Extract chain A using the protocol chimerax operate appendix)

ChimeraX command lines:

1.- Select everything except the chain A of model #2:

• sel ~ #2/A

2.- Remove it:

• del sel

3.- Save the structure of chain A:

• scipionwrite #2 prefix Hgb_chainA_

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3. Step 3: Sampling sequence for the chain A atomic skeleton with CARBonAra using the next protocol:

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QUIZZ:

Which other residues could replace His 45, 58 and 87?

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4. Step 3: Sampling sequence for the chain A atomic skeleton with CARBonAra and sort the sequences by their AlphaFold scores :

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