c<B>r<56>a<2643>R<ALA>A<N> 5.654 16.636 -19.419 1.55 el=N oc=1;tf=27.14
c<B>r<56>a<2644>R<ALA>A<CA> 4.306 16.969 -19.795 1.7 el=C oc=1;tf=27.77
c<B>r<56>a<2645>R<ALA>A<C> 4.139 18.435 -20.144 1.7 el=C oc=1;tf=29.41
c<B>r<56>a<2646>R<ALA>A<O> 3.619 18.808 -21.204 1.52 el=O oc=1;tf=30.63
c<B>r<56>a<2647>R<ALA>A<CB> 3.373 16.628 -18.664 1.7 el=C oc=1;tf=28.99
c<B>r<88>a<2887>R<ALA>A<N> -3.023 7.753 -19.907 1.55 el=N oc=1;tf=20.84
c<B>r<88>a<2888>R<ALA>A<CA> -3.018 7.206 -18.575 1.7 el=C oc=1;tf=17.38
c<B>r<88>a<2889>R<ALA>A<C> -1.627 6.647 -18.364 1.7 el=C oc=1;tf=18.59
c<B>r<88>a<2890>R<ALA>A<O> -1.086 5.92 -19.197 1.52 el=O oc=1;tf=14.88
c<B>r<88>a<2891>R<ALA>A<CB> -4.015 6.09 -18.472 1.7 el=C oc=1;tf=18.6

#!/bin/bash
read -p "amino acid: " AAA
if [ "$AAA" == "ALA" ] || [ "$AAA" == "VAL" ] || [ "$AAA" == "ARG" ] || [ "$AAA" == "ASN" ] || [ "$AAA" == "ASP" ] || 
   [ "$AAA" == "CYS" ] || [ "$AAA" == "GLY" ] || [ "$AAA" == "ILE" ] || [ "$AAA" == "LEU" ] || [ "$AAA" == "LYS" ] ||
   [ "$AAA" == "MET" ] || [ "$AAA" == "PHE" ] || [ "$AAA" == "PRO" ] || [ "$AAA" == "SER" ] || [ "$AAA" == "THR" ] || 
   [ "$AAA" == "TRP" ] || [ "$AAA" == "TYR" ] || [ "$AAA" == "HIS" ] || [ "$AAA" == "GLN" ] || [ "$AAA" == "GLU" ]
then 
#for AAA in ALA ARG ASN ASP CYS GLN GLY GLU HIS ILE \
#		LEU LYS MET PHE PRO SER THR TRP TYR VAl; do
	for i in HS_*.pdb; do
		cat $i | voronota get-balls-from-atoms-file --annotated | \
                grep -o -i "$AAA" | wc -l | awk '{print $1}' 
#    	       | voronota calculate-contacts --annotated \
#    	       | voronota query-contacts --inter-residue --match-first "R<$AAA>" --match-second "R<A,DC,DG,DT>" \
    done
else
	exit 1
fi