==== 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 2W9V . 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 . 44 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 36.4 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 . 7 15.9 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 4.5 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 . 6 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.5 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 . 1 0 1 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 . 1 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 0 132 0, 0.0 3,-0.1 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0 -54.9 -16.4 9.3 1.3 2 2 A M + 0 0 164 1,-0.3 2,-0.7 3,-0.0 3,-0.1 0.498 360.0 67.0-131.0 -74.5 -14.0 12.1 2.1 3 3 A D - 0 0 151 1,-0.2 -1,-0.3 2,-0.0 12,-0.2 -0.432 53.3-178.3 -61.7 106.0 -10.3 11.2 2.7 4 4 A a - 0 0 43 -2,-0.7 -1,-0.2 10,-0.1 7,-0.1 0.807 25.2-146.2 -76.2 -31.0 -9.2 9.9 -0.7 5 5 A T - 0 0 53 8,-0.1 9,-0.3 1,-0.1 2,-0.2 0.967 13.3-150.3 60.7 89.6 -5.7 9.1 0.6 6 6 A T + 0 0 127 7,-0.1 3,-0.1 9,-0.1 31,-0.1 -0.588 44.1 80.5 -90.4 152.7 -3.3 9.7 -2.2 7 7 A G S S- 0 0 45 -2,-0.2 3,-0.5 5,-0.2 5,-0.2 -0.984 89.8 -48.2 151.6-160.5 -0.0 7.9 -2.7 8 8 A P S S+ 0 0 103 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.906 128.3 46.4 -75.7 -44.2 1.5 4.6 -4.0 9 9 A b S S+ 0 0 0 28,-1.1 7,-1.7 -3,-0.1 2,-0.4 -0.494 90.8 111.1 -98.9 63.1 -1.0 2.2 -2.3 10 10 A c B S-A 15 0A 12 -2,-0.9 2,-2.4 -3,-0.5 5,-0.3 -0.999 70.7-127.0-139.6 134.9 -4.2 4.1 -3.1 11 11 A R - 0 0 158 3,-1.8 2,-3.2 -2,-0.4 4,-0.1 -0.440 69.0 -81.1 -78.4 69.2 -7.1 3.1 -5.4 12 12 A Q S S+ 0 0 172 -2,-2.4 -5,-0.2 1,-0.2 -1,-0.1 -0.346 124.5 6.4 69.1 -67.5 -6.9 6.4 -7.4 13 13 A a S S+ 0 0 65 -2,-3.2 2,-0.3 -7,-0.1 -1,-0.2 -0.099 129.6 52.5-136.2 34.8 -8.9 8.3 -4.7 14 14 A K S S- 0 0 127 -9,-0.3 -3,-1.8 -13,-0.0 2,-0.4 -0.956 95.0 -67.3-158.6 173.1 -9.2 5.7 -2.0 15 15 A L B -A 10 0A 68 -2,-0.3 -5,-0.3 -5,-0.3 3,-0.1 -0.571 55.0-118.1 -73.7 122.8 -7.2 3.3 0.2 16 16 A K - 0 0 59 -7,-1.7 20,-0.1 -2,-0.4 18,-0.1 -0.318 36.1-100.7 -60.8 138.9 -5.7 0.4 -1.8 17 17 A P > - 0 0 66 0, 0.0 3,-1.2 0, 0.0 17,-0.3 -0.293 47.0 -89.3 -62.5 143.8 -7.0 -3.1 -0.9 18 18 A A T 3 S+ 0 0 63 15,-0.3 15,-0.3 1,-0.2 3,-0.1 -0.199 110.7 47.7 -53.7 140.3 -4.7 -5.2 1.4 19 19 A G T 3 S+ 0 0 47 13,-2.9 2,-0.6 1,-0.3 -1,-0.2 0.220 72.4 133.4 110.8 -13.1 -2.3 -7.3 -0.6 20 20 A T < - 0 0 35 -3,-1.2 12,-0.8 11,-0.1 -1,-0.3 -0.611 57.3-125.6 -75.9 117.3 -1.0 -4.6 -3.0 21 21 A T E +B 31 0B 52 -2,-0.6 10,-0.2 10,-0.2 -1,-0.1 -0.284 42.4 156.4 -61.8 145.0 2.8 -4.8 -3.1 22 22 A d E + 0 0 35 8,-0.5 17,-0.2 18,-0.1 9,-0.1 0.062 65.9 44.0-160.6 30.3 4.6 -1.5 -2.4 23 23 A W E + 0 0 120 7,-0.5 7,-1.5 5,-0.1 2,-0.5 -0.142 63.3 140.7-177.7 67.0 8.1 -2.5 -1.3 24 24 A R E +B 29 0B 187 5,-0.3 5,-0.3 -3,-0.1 2,-0.2 -0.944 19.1 146.5-124.2 111.3 9.8 -5.2 -3.3 25 25 A T E > -B 28 0B 74 3,-0.6 3,-1.2 -2,-0.5 -2,-0.0 -0.529 66.9 -69.4-125.7-167.2 13.5 -4.9 -4.1 26 26 A S T 3 S+ 0 0 129 1,-0.3 3,-0.0 -2,-0.2 -2,-0.0 0.809 138.9 17.1 -57.7 -30.1 16.5 -7.2 -4.6 27 27 A V T 3 S+ 0 0 139 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 -0.055 122.2 70.7-133.2 31.4 16.3 -8.0 -0.9 28 28 A S E < +B 25 0B 23 -3,-1.2 -3,-0.6 2,-0.0 -5,-0.1 -0.987 38.3 161.6-147.8 154.5 12.8 -6.8 -0.1 29 29 A S E +B 24 0B 71 -2,-0.3 15,-0.4 -5,-0.3 -5,-0.3 -0.391 18.9 150.4-176.6 89.3 9.2 -7.9 -0.8 30 30 A H E - 0 0 25 -7,-1.5 -8,-0.5 13,-0.2 -7,-0.5 -0.562 25.1-143.9-116.7-178.2 6.2 -6.7 1.3 31 31 A Y E -B 21 0B 114 11,-0.5 -10,-0.2 -10,-0.2 2,-0.2 -0.912 23.7 -94.0-143.2 169.0 2.5 -6.0 0.8 32 32 A b - 0 0 7 -12,-0.8 -13,-2.9 -2,-0.3 7,-0.1 -0.543 15.8-149.3 -86.5 152.7 -0.2 -3.6 1.8 33 33 A T - 0 0 66 -15,-0.3 -15,-0.3 3,-0.3 -1,-0.1 0.159 39.2-118.7-104.9 16.2 -2.6 -4.3 4.7 34 34 A G S S+ 0 0 32 -17,-0.3 -16,-0.2 2,-0.2 3,-0.1 0.764 96.2 95.7 52.5 25.7 -5.5 -2.4 3.1 35 35 A R S S+ 0 0 199 1,-0.4 2,-0.3 3,-0.2 -1,-0.1 0.693 88.7 10.6-112.2 -34.4 -5.3 -0.1 6.2 36 36 A S - 0 0 52 2,-0.2 -1,-0.4 -20,-0.1 -3,-0.3 -0.974 63.7-123.0-145.8 158.1 -3.2 2.8 4.9 37 37 A c S S+ 0 0 6 -2,-0.3 -28,-1.1 -3,-0.1 2,-0.2 0.776 91.2 86.8 -71.0 -26.9 -1.7 4.1 1.7 38 38 A E S S- 0 0 154 -30,-0.1 -2,-0.2 1,-0.1 -3,-0.2 -0.549 88.3-113.4 -77.8 138.1 1.8 3.9 3.2 39 39 A d - 0 0 42 -2,-0.2 -7,-0.1 -17,-0.2 -1,-0.1 -0.490 33.5-117.0 -72.1 136.3 3.6 0.5 2.9 40 40 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 -0.239 12.0-125.2 -70.3 161.2 4.2 -1.3 6.2 41 41 A S S S+ 0 0 116 2,-0.1 -2,-0.0 -11,-0.0 -18,-0.0 -0.125 85.8 72.5 -98.6 36.0 7.7 -2.0 7.6 42 42 A Y S S- 0 0 128 -11,-0.2 -11,-0.5 0, 0.0 0, 0.0 -0.995 82.5-104.4-148.9 150.4 7.0 -5.7 7.9 43 43 A P 0 0 86 0, 0.0 -13,-0.2 0, 0.0 -2,-0.1 -0.197 360.0 360.0 -70.0 164.6 6.6 -8.8 5.6 44 44 A G 0 0 124 -15,-0.4 -12,-0.0 -25,-0.0 -14,-0.0 -0.328 360.0 360.0 -77.7 360.0 3.3 -10.4 4.8