==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 29-JAN-09 2W9U . COMPND 2 MOLECULE: SHORT DISINTEGRIN JERDOSTATIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRIMERESURUS JERDONII; . AUTHOR R.J.CARBAJO,L.SANZ,S.MOSULEN,J.J.CALVETE,A.PINEDA-LUCENA . 46 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 26.1 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 . 6 13.0 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 . 2 4.3 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 . 2 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.3 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+4), 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 . 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 0 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 . 3 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 A 0 0 146 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.5 -20.7 -4.6 2.5 2 2 A M + 0 0 175 1,-0.1 3,-0.5 4,-0.0 4,-0.1 -0.792 360.0 163.2-140.5 94.7 -16.9 -4.5 1.8 3 3 A D + 0 0 160 -2,-0.3 -1,-0.1 1,-0.2 10,-0.0 -0.074 56.0 96.2-100.2 32.3 -14.5 -3.9 4.7 4 4 A a S S- 0 0 46 10,-0.1 8,-0.2 8,-0.1 -1,-0.2 0.736 79.4-140.7 -90.6 -27.0 -11.5 -5.2 2.7 5 5 A T - 0 0 70 -3,-0.5 9,-0.1 8,-0.1 7,-0.1 0.997 18.9-141.2 62.9 66.7 -10.4 -1.8 1.6 6 6 A T + 0 0 116 -4,-0.1 31,-0.1 7,-0.1 3,-0.1 -0.234 48.4 102.0 -58.2 145.1 -9.3 -2.6 -2.0 7 7 A G S S- 0 0 29 3,-0.4 3,-0.4 1,-0.1 31,-0.2 -0.925 82.5 -74.9 160.7 177.0 -6.2 -0.9 -3.2 8 8 A P S S+ 0 0 47 0, 0.0 30,-0.2 0, 0.0 -1,-0.1 0.801 127.3 52.9 -71.0 -28.5 -2.4 -1.2 -3.9 9 9 A b S S+ 0 0 2 28,-1.0 7,-1.7 -3,-0.1 2,-0.7 0.649 97.0 80.7 -79.6 -15.7 -1.6 -1.0 -0.2 10 10 A c B S-A 15 0A 9 27,-1.1 -3,-0.4 -3,-0.4 5,-0.2 -0.838 70.5-153.1 -97.2 114.7 -4.1 -3.9 0.4 11 11 A R S S- 0 0 177 3,-1.2 -1,-0.1 -2,-0.7 4,-0.1 0.752 79.0 -59.5 -54.7 -23.9 -2.6 -7.3 -0.3 12 12 A Q S S- 0 0 163 -8,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.056 121.8 -9.3 167.8 -31.6 -6.2 -8.3 -1.0 13 13 A a S S+ 0 0 67 1,-0.2 2,-0.3 -8,-0.1 -8,-0.1 0.126 114.2 80.3-177.6 34.6 -8.1 -7.6 2.2 14 14 A K S S- 0 0 152 -9,-0.1 -3,-1.2 23,-0.1 -1,-0.2 -0.864 83.1-108.1-156.5 116.7 -5.5 -6.8 4.9 15 15 A L B -A 10 0A 48 -2,-0.3 -5,-0.2 -5,-0.2 22,-0.1 -0.203 45.9-120.7 -46.5 107.8 -3.7 -3.6 5.5 16 16 A K - 0 0 31 -7,-1.7 18,-0.3 20,-0.2 20,-0.2 -0.118 36.3 -87.9 -51.9 149.1 -0.1 -4.3 4.3 17 17 A P > - 0 0 84 0, 0.0 3,-0.6 0, 0.0 15,-0.3 -0.401 49.8-103.9 -64.6 131.6 2.6 -4.0 7.0 18 18 A A T 3 S+ 0 0 57 15,-0.3 15,-0.3 1,-0.2 3,-0.1 -0.065 105.6 33.0 -51.5 154.5 4.1 -0.4 7.2 19 19 A G T 3 S+ 0 0 61 13,-2.9 2,-0.5 1,-0.2 -1,-0.2 0.763 94.1 122.4 66.8 24.5 7.5 0.1 5.6 20 20 A T B < S-B 32 0B 50 12,-0.8 12,-2.3 -3,-0.6 2,-0.3 -0.979 71.8-113.0-124.4 126.0 6.6 -2.5 3.0 21 21 A T + 0 0 43 -2,-0.5 10,-0.2 10,-0.2 -3,-0.0 -0.363 43.6 163.5 -57.2 112.3 6.7 -1.8 -0.8 22 22 A d S S+ 0 0 19 -2,-0.3 -1,-0.2 8,-0.2 9,-0.1 0.807 74.7 20.6 -99.4 -42.0 3.0 -2.1 -1.8 23 23 A W + 0 0 116 7,-0.1 3,-0.1 2,-0.1 6,-0.1 0.920 62.3 169.2 -91.1 -70.1 3.1 -0.4 -5.2 24 24 A K - 0 0 150 6,-0.3 5,-0.3 1,-0.2 -3,-0.0 0.797 25.4-176.0 58.2 28.9 6.7 -0.4 -6.5 25 25 A T B > -C 28 0C 37 3,-1.3 3,-0.5 1,-0.1 -1,-0.2 -0.314 33.7-127.8 -59.3 135.2 5.3 0.8 -9.8 26 26 A S T 3 S+ 0 0 134 1,-0.3 3,-0.2 -3,-0.1 -1,-0.1 0.837 114.9 40.9 -52.7 -34.8 7.9 1.0 -12.5 27 27 A V T 3 S+ 0 0 120 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.673 136.5 10.5 -87.0 -19.9 6.7 4.6 -13.2 28 28 A S B < -C 25 0C 48 -3,-0.5 -3,-1.3 14,-0.0 2,-0.4 -0.791 67.0-160.4-163.8 115.1 6.3 5.3 -9.5 29 29 A S + 0 0 54 -5,-0.3 2,-0.2 -2,-0.2 15,-0.1 -0.845 22.1 160.8-102.5 132.6 7.4 3.3 -6.4 30 30 A H - 0 0 8 -2,-0.4 2,-0.3 13,-0.2 -6,-0.3 -0.615 24.8-130.1-132.2-168.5 5.9 3.8 -3.0 31 31 A Y - 0 0 71 11,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.988 18.7-112.8-149.6 155.5 5.5 2.1 0.4 32 32 A b B -B 20 0B 2 -12,-2.3 -13,-2.9 -2,-0.3 -12,-0.8 -0.661 9.4-157.1 -91.7 146.2 2.7 1.3 2.8 33 33 A T - 0 0 61 -15,-0.3 -15,-0.3 -2,-0.3 -1,-0.1 0.073 40.9-117.8-107.1 21.6 2.5 2.9 6.3 34 34 A G S S+ 0 0 34 -18,-0.3 -16,-0.1 2,-0.2 3,-0.1 0.768 97.4 95.6 47.9 27.3 0.5 0.1 7.8 35 35 A R S S+ 0 0 213 1,-0.3 2,-0.3 -18,-0.1 -1,-0.1 0.635 88.8 7.7-115.0 -27.9 -2.2 2.7 8.3 36 36 A S - 0 0 57 -20,-0.2 -1,-0.3 -27,-0.0 -2,-0.2 -0.906 64.4-117.9-147.3 173.8 -4.4 2.2 5.3 37 37 A c S S+ 0 0 5 -2,-0.3 -27,-1.1 -22,-0.1 -28,-1.0 0.146 92.0 83.3-102.2 17.6 -4.9 -0.0 2.3 38 38 A E S S- 0 0 119 -29,-0.3 -1,-0.1 -30,-0.2 -31,-0.1 -0.913 78.7-132.3-127.1 104.8 -4.2 2.8 -0.2 39 39 A d - 0 0 16 -2,-0.5 -7,-0.1 1,-0.1 -30,-0.1 -0.134 31.6-106.8 -51.4 145.8 -0.5 3.5 -1.0 40 40 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.082 21.1-113.1 -69.4 173.9 0.4 7.2 -0.9 41 41 A S S S+ 0 0 117 2,-0.1 -2,-0.0 -11,-0.1 -11,-0.0 0.032 93.8 69.3 -97.8 25.8 1.1 9.4 -3.9 42 42 A Y S S- 0 0 132 -11,-0.1 -11,-0.5 -14,-0.0 2,-0.2 -0.994 87.7-102.0-143.8 148.3 4.8 9.8 -3.0 43 43 A P - 0 0 86 0, 0.0 2,-1.0 0, 0.0 -13,-0.2 -0.462 24.9-141.0 -71.3 136.8 7.9 7.5 -2.9 44 44 A G + 0 0 29 -2,-0.2 -14,-0.1 1,-0.2 -12,-0.1 -0.621 66.8 107.0-100.3 75.3 8.9 6.1 0.5 45 45 A N 0 0 135 -2,-1.0 -1,-0.2 -14,-0.1 -15,-0.0 -0.043 360.0 360.0-137.7 31.4 12.7 6.3 0.3 46 46 A G 0 0 147 -3,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.552 360.0 360.0-140.0 360.0 13.5 9.2 2.6