==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 09-JUL-12 4B19 . COMPND 2 MOLECULE: PEPA1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.SAYED,S.NONIN-LECOMTE,S.RETY,B.FELDEN . 30 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 23 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M > 0 0 168 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 131.5 22.8 2.1 -0.4 2 2 A L G >> + 0 0 115 1,-0.3 4,-1.3 2,-0.2 3,-0.6 0.679 360.0 70.1 -62.0 -16.9 20.9 -1.0 -1.2 3 3 A I G 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.098 88.5 64.9 -89.4 24.0 18.4 0.1 1.5 4 4 A F G <4 S+ 0 0 145 -3,-1.4 4,-0.3 3,-0.1 -1,-0.2 0.587 110.3 31.9-113.3 -23.9 17.3 2.9 -0.8 5 5 A V T <4 S+ 0 0 90 -3,-0.6 -2,-0.2 -4,-0.4 4,-0.1 0.640 119.8 51.9-104.8 -24.3 15.8 0.7 -3.6 6 6 A H S < S+ 0 0 131 -4,-1.3 -1,-0.1 1,-0.1 -3,-0.1 0.027 109.1 52.6-101.0 24.7 14.7 -2.2 -1.3 7 7 A I S >>S+ 0 0 74 3,-0.1 5,-1.0 -3,-0.1 4,-0.6 0.585 99.6 55.5-126.0 -32.8 12.8 0.1 1.0 8 8 A I T 45S+ 0 0 105 -4,-0.3 -2,-0.1 3,-0.2 -3,-0.1 0.441 118.8 34.4 -84.7 0.2 10.5 2.1 -1.3 9 9 A A T >5S+ 0 0 58 -4,-0.1 4,-1.0 3,-0.1 -3,-0.1 0.737 121.7 35.7-119.1 -52.3 9.0 -1.1 -2.7 10 10 A P T 45S+ 0 0 78 0, 0.0 4,-0.4 0, 0.0 -2,-0.1 0.821 126.4 38.3 -76.0 -31.3 8.8 -3.8 0.0 11 11 A V T >X5S+ 0 0 78 -4,-0.6 4,-1.5 2,-0.2 3,-0.9 0.956 117.9 43.6 -83.1 -59.0 8.0 -1.4 2.8 12 12 A I H 3>X S+ 0 0 91 -4,-1.5 4,-0.8 1,-0.3 3,-0.5 0.688 104.3 76.5 -71.7 -18.2 1.4 -0.2 4.4 16 16 A A H 3X S+ 0 0 36 -4,-1.8 4,-2.9 -5,-0.3 -1,-0.3 0.662 83.1 68.7 -66.2 -15.5 -0.1 0.6 1.1 17 17 A I H <> S+ 0 0 107 -3,-1.3 4,-2.8 -4,-0.3 5,-0.3 0.926 94.6 51.4 -69.5 -46.3 -2.6 -2.3 1.7 18 18 A A H <> S+ 0 0 79 -3,-0.5 4,-0.9 -4,-0.4 -1,-0.2 0.791 116.7 43.8 -61.0 -27.3 -4.4 -0.5 4.5 19 19 A F H X S+ 0 0 142 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.952 115.6 42.9 -81.4 -57.8 -4.8 2.4 2.2 20 20 A F H X S+ 0 0 125 -4,-2.9 4,-2.0 1,-0.2 5,-0.4 0.924 113.2 53.9 -54.3 -49.9 -5.8 0.7 -1.1 21 21 A S H X S+ 0 0 29 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.926 110.6 46.4 -50.5 -49.9 -8.2 -1.6 0.8 22 22 A Y H X S+ 0 0 140 -4,-0.9 4,-1.0 -5,-0.3 -1,-0.2 0.862 108.5 59.2 -61.6 -37.7 -9.9 1.4 2.3 23 23 A W H >X S+ 0 0 141 -4,-2.3 3,-1.4 1,-0.2 4,-0.6 0.983 114.5 30.8 -56.1 -67.7 -10.0 3.1 -1.1 24 24 A L H >X S+ 0 0 58 -4,-2.0 4,-1.1 1,-0.3 3,-0.8 0.775 109.3 72.5 -64.4 -26.1 -12.0 0.5 -3.0 25 25 A S H 3< S+ 0 0 18 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.796 92.5 57.1 -58.6 -27.8 -13.8 -0.3 0.3 26 26 A R H << S+ 0 0 123 -3,-1.4 -1,-0.3 -4,-1.0 -2,-0.2 0.823 94.4 67.0 -72.6 -33.0 -15.6 3.0 -0.1 27 27 A R H << S- 0 0 150 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.953 133.4 -52.8 -52.2 -58.0 -16.9 2.0 -3.5 28 28 A N S < S- 0 0 144 -4,-1.1 2,-0.3 1,-0.4 -3,-0.1 0.349 101.0 -29.0-148.3 -63.0 -19.2 -0.7 -2.1 29 29 A T 0 0 95 -5,-0.3 -1,-0.4 0, 0.0 -2,-0.1 -0.943 360.0 360.0-157.7 175.4 -17.5 -3.3 0.1 30 30 A K 0 0 179 -2,-0.3 -9,-0.0 -5,-0.1 -8,-0.0 -0.994 360.0 360.0-146.2 360.0 -14.3 -5.1 0.8