==== 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 27-JAN-09 2W9O . 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) . 3906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 6 13.0 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 . 4 8.7 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 . 1 2.2 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 . 1 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.2 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 . 2 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 0 142 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 79.2 15.6 12.5 0.9 2 2 A M - 0 0 154 2,-0.0 3,-0.0 0, 0.0 0, 0.0 0.701 360.0-149.6-106.7 -31.3 14.5 10.2 -1.8 3 3 A D + 0 0 153 1,-0.1 2,-0.2 0, 0.0 0, 0.0 0.881 66.3 101.1 60.8 39.3 10.9 11.3 -2.3 4 4 A a - 0 0 30 10,-0.1 -1,-0.1 33,-0.0 10,-0.1 -0.661 63.8-146.1-157.2 94.1 9.8 7.8 -3.3 5 5 A T - 0 0 49 -2,-0.2 2,-0.2 8,-0.1 8,-0.1 -0.250 18.9-151.8 -60.3 146.8 8.1 5.5 -0.8 6 6 A T + 0 0 109 4,-0.1 31,-0.1 7,-0.1 -1,-0.1 -0.676 47.8 41.5-116.8 172.1 9.0 1.8 -1.1 7 7 A G S S+ 0 0 48 -2,-0.2 3,-0.2 31,-0.1 31,-0.1 -0.486 98.2 1.4 91.1-163.7 7.1 -1.5 -0.3 8 8 A P S S+ 0 0 73 0, 0.0 3,-0.1 0, 0.0 14,-0.1 0.052 117.6 42.2 -52.2 167.5 3.4 -2.3 -0.9 9 9 A b S S+ 0 0 8 12,-0.3 7,-1.2 1,-0.2 2,-0.3 0.828 103.0 97.3 60.1 32.4 1.1 0.2 -2.6 10 10 A c B -A 15 0A 21 5,-0.3 5,-0.2 -3,-0.2 -1,-0.2 -0.847 53.0-164.2-140.6 175.9 3.9 1.0 -5.0 11 11 A R S S- 0 0 178 3,-0.6 -5,-0.0 -2,-0.3 26,-0.0 -0.495 76.0 -30.4-169.0 90.1 5.1 0.2 -8.6 12 12 A Q S S- 0 0 196 1,-0.2 3,-0.1 -2,-0.1 -6,-0.1 0.982 128.3 -38.8 60.7 60.7 8.6 1.0 -9.7 13 13 A a S S+ 0 0 93 1,-0.1 2,-0.3 -8,-0.1 -1,-0.2 0.822 124.6 106.6 60.1 31.5 9.1 4.1 -7.5 14 14 A K - 0 0 140 -10,-0.1 -3,-0.6 -9,-0.1 -1,-0.1 -0.931 69.4-127.5-146.0 117.8 5.5 5.0 -8.2 15 15 A L B -A 10 0A 60 -2,-0.3 -5,-0.3 -5,-0.2 22,-0.1 -0.209 31.0-114.0 -60.2 151.6 2.6 4.8 -5.8 16 16 A K - 0 0 63 -7,-1.2 20,-0.2 20,-0.4 4,-0.2 -0.464 44.2 -73.7 -86.5 160.4 -0.5 2.9 -7.0 17 17 A P > - 0 0 98 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 -0.146 61.7 -90.3 -52.2 143.7 -4.0 4.4 -7.6 18 18 A A T 3 S+ 0 0 74 16,-0.3 16,-0.2 1,-0.2 15,-0.1 -0.361 112.9 37.4 -59.8 127.1 -5.9 5.4 -4.5 19 19 A G T 3 S+ 0 0 53 1,-0.2 -1,-0.2 13,-0.1 2,-0.2 0.721 82.5 145.3 101.7 28.2 -8.1 2.5 -3.4 20 20 A T < - 0 0 29 -3,-0.5 12,-2.4 -4,-0.2 2,-0.3 -0.570 51.0-104.7 -96.2 161.2 -5.8 -0.4 -4.1 21 21 A T B -B 31 0B 76 10,-0.2 2,-0.9 -2,-0.2 -12,-0.3 -0.631 18.8-140.6 -86.8 142.2 -5.4 -3.6 -2.2 22 22 A d S S- 0 0 10 8,-1.1 8,-0.2 -2,-0.3 3,-0.1 -0.648 74.6 -48.1-102.7 75.5 -2.3 -4.2 0.0 23 23 A W S S- 0 0 196 -2,-0.9 5,-0.2 1,-0.1 -1,-0.2 0.992 71.2-130.9 60.9 80.0 -1.5 -7.9 -0.7 24 24 A R + 0 0 181 -3,-0.1 2,-0.3 5,-0.1 -1,-0.1 -0.397 53.7 115.8 -63.4 130.6 -4.9 -9.6 -0.3 25 25 A T S S- 0 0 33 -2,-0.1 3,-0.3 -3,-0.1 -3,-0.1 -0.974 75.5 -90.4-176.6 179.2 -4.7 -12.6 2.0 26 26 A S S S+ 0 0 123 -2,-0.3 -2,-0.1 1,-0.2 3,-0.0 -0.049 108.9 72.1 -98.8 30.8 -5.8 -14.2 5.2 27 27 A V S S- 0 0 109 1,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.686 117.6 -14.7-112.1 -33.3 -2.9 -12.8 7.2 28 28 A S - 0 0 54 -3,-0.3 2,-0.5 -5,-0.2 -2,-0.1 -0.470 61.5-144.9-176.7 96.7 -3.8 -9.1 7.4 29 29 A S + 0 0 79 -2,-0.1 2,-0.2 -5,-0.1 -5,-0.1 -0.549 39.7 148.7 -71.4 119.8 -6.5 -7.4 5.3 30 30 A H - 0 0 31 -2,-0.5 -8,-1.1 -8,-0.2 2,-0.3 -0.799 29.5-144.8-140.5-178.4 -5.4 -3.9 4.4 31 31 A Y B -B 21 0B 111 -2,-0.2 -10,-0.2 -10,-0.2 2,-0.2 -0.907 22.6 -98.9-146.0 172.2 -5.7 -1.2 1.8 32 32 A b - 0 0 1 -12,-2.4 -13,-0.1 -2,-0.3 5,-0.1 -0.529 17.5-143.3 -94.1 162.8 -3.7 1.6 0.1 33 33 A T - 0 0 53 5,-0.3 -1,-0.1 3,-0.3 4,-0.1 0.940 34.8-116.8 -87.5 -68.6 -3.9 5.4 0.9 34 34 A G S S+ 0 0 10 2,-0.3 -16,-0.3 -16,-0.2 -2,-0.0 0.083 99.6 42.4 152.7 -28.5 -3.5 7.1 -2.5 35 35 A R S S+ 0 0 212 -18,-0.1 2,-0.3 -20,-0.0 -20,-0.0 -0.117 109.2 49.6-135.0 36.3 -0.3 9.2 -2.3 36 36 A S - 0 0 45 -20,-0.2 -20,-0.4 -27,-0.1 -2,-0.3 -0.966 64.9-132.9-161.9 172.4 2.0 6.8 -0.6 37 37 A c + 0 0 3 -2,-0.3 2,-0.3 -22,-0.1 -27,-0.1 -0.072 66.1 115.2-126.0 31.6 3.4 3.2 -0.6 38 38 A E - 0 0 123 -29,-0.1 -5,-0.3 -31,-0.1 -31,-0.1 -0.819 52.8-150.1-106.2 144.3 3.1 2.4 3.1 39 39 A d - 0 0 41 -2,-0.3 -7,-0.1 -7,-0.1 -30,-0.0 -0.777 20.3-159.2-114.8 86.4 0.9 -0.3 4.6 40 40 A P - 0 0 45 0, 0.0 -9,-0.1 0, 0.0 5,-0.0 0.157 27.8-111.1 -52.2 177.4 -0.2 0.8 8.1 41 41 A S S S+ 0 0 112 -11,-0.1 -2,-0.0 3,-0.0 -11,-0.0 -0.072 74.5 124.6-105.7 31.6 -1.5 -1.7 10.7 42 42 A Y - 0 0 152 -11,-0.1 -11,-0.2 1,-0.1 3,-0.1 -0.637 65.2-132.1 -92.8 150.5 -5.0 -0.4 10.6 43 43 A P S S+ 0 0 125 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.777 92.9 31.9 -70.0 -27.1 -8.1 -2.6 10.0 44 44 A G + 0 0 50 -14,-0.0 2,-0.3 -13,-0.0 -14,-0.0 -0.989 64.1 161.0-136.2 144.0 -9.4 -0.1 7.5 45 45 A N 0 0 44 -2,-0.4 -13,-0.2 1,-0.4 -12,-0.0 -0.953 360.0 360.0-160.9 138.7 -7.9 2.4 5.0 46 46 A G 0 0 116 -2,-0.3 -1,-0.4 -15,-0.1 -14,-0.1 0.888 360.0 360.0 63.5 360.0 -9.0 4.3 1.9