==== 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 2W9W . 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) . 3635.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 38.6 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 . 3 6.8 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 164 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.0 18.4 3.9 -2.3 2 2 A M - 0 0 154 4,-0.0 3,-0.5 0, 0.0 4,-0.1 -0.870 360.0-108.9-141.9 174.2 16.0 6.3 -0.6 3 3 A D S S+ 0 0 156 -2,-0.3 10,-0.0 1,-0.2 0, 0.0 -0.116 94.5 90.9 -98.4 35.4 13.6 6.5 2.3 4 4 A a S S- 0 0 13 8,-0.0 -1,-0.2 6,-0.0 3,-0.1 0.746 77.3-146.4 -97.7 -31.4 10.5 6.6 -0.0 5 5 A T - 0 0 56 -3,-0.5 2,-0.3 1,-0.1 -2,-0.1 0.997 16.7-129.2 60.2 75.6 9.9 2.8 -0.2 6 6 A T + 0 0 129 -4,-0.1 -1,-0.1 6,-0.1 5,-0.1 -0.369 53.1 134.2 -58.0 116.4 8.6 2.4 -3.7 7 7 A G B > S-A 10 0A 16 3,-0.6 3,-2.0 -2,-0.3 31,-0.1 -0.982 72.2 -90.5-159.3 166.6 5.4 0.4 -3.5 8 8 A P T 3 S+ 0 0 96 0, 0.0 30,-0.1 0, 0.0 -2,-0.1 0.764 125.8 55.2 -52.6 -26.3 1.8 0.2 -4.7 9 9 A b T 3 S+ 0 0 0 28,-0.9 7,-1.4 1,-0.1 2,-0.3 -0.039 106.9 58.6 -98.2 30.4 0.9 2.4 -1.7 10 10 A c B < -AB 7 15A 11 -3,-2.0 -3,-0.6 5,-0.2 5,-0.2 -0.837 55.1-171.0-162.1 119.2 3.3 5.1 -2.7 11 11 A R S S- 0 0 194 3,-0.7 -1,-0.1 -2,-0.3 4,-0.1 0.989 87.5 -22.9 -72.5 -76.3 3.6 7.2 -5.9 12 12 A Q S S- 0 0 173 2,-0.1 -6,-0.1 -6,-0.1 3,-0.1 0.655 127.5 -44.2-109.6 -27.0 6.9 9.0 -5.6 13 13 A a S S+ 0 0 53 1,-0.3 24,-0.1 -8,-0.1 0, 0.0 0.190 108.9 96.7-172.3 -40.2 7.3 8.9 -1.9 14 14 A K - 0 0 133 1,-0.1 -3,-0.7 -4,-0.0 2,-0.4 -0.272 68.8-123.7 -66.8 154.5 4.1 9.8 -0.1 15 15 A L B -B 10 0A 67 -5,-0.2 -5,-0.2 19,-0.1 3,-0.1 -0.830 27.2-102.5-105.0 140.5 1.8 7.0 1.1 16 16 A K - 0 0 51 -7,-1.4 18,-0.3 -2,-0.4 3,-0.1 -0.134 55.4 -77.5 -55.0 152.1 -1.8 6.5 0.1 17 17 A P > - 0 0 79 0, 0.0 3,-1.0 0, 0.0 2,-0.5 -0.146 58.6 -89.0 -52.7 144.7 -4.5 7.6 2.7 18 18 A A T 3 S+ 0 0 79 1,-0.2 15,-0.2 15,-0.2 13,-0.0 -0.415 117.7 30.6 -60.6 108.4 -5.1 5.2 5.6 19 19 A G T 3 S+ 0 0 51 13,-2.6 2,-0.6 -2,-0.5 -1,-0.2 0.646 82.0 132.4 113.7 25.4 -7.8 2.9 4.3 20 20 A T < - 0 0 51 -3,-1.0 2,-0.5 12,-0.4 -1,-0.2 -0.917 56.2-130.8-113.5 109.6 -7.0 2.8 0.5 21 21 A T - 0 0 42 -2,-0.6 10,-0.3 10,-0.2 3,-0.1 -0.404 25.2-178.2 -59.8 107.6 -6.9 -0.6 -1.1 22 22 A d S S+ 0 0 33 8,-0.6 2,-0.5 -2,-0.5 -1,-0.2 0.898 71.7 39.9 -75.1 -42.8 -3.7 -0.6 -3.0 23 23 A W E -C 30 0B 133 7,-0.8 7,-1.0 2,-0.0 2,-0.4 -0.943 61.8-179.6-114.4 123.8 -4.1 -4.1 -4.5 24 24 A K E +C 29 0B 161 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.707 22.9 152.8-122.5 79.4 -7.6 -5.3 -5.6 25 25 A T - 0 0 54 3,-2.0 -2,-0.0 -2,-0.4 0, 0.0 -0.593 54.5-117.5-103.5 166.8 -7.2 -8.9 -6.9 26 26 A S S S+ 0 0 133 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.818 116.2 51.3 -71.2 -31.5 -9.7 -11.8 -7.0 27 27 A V S S- 0 0 123 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.828 130.7 -47.7 -74.4 -33.0 -7.6 -13.8 -4.7 28 28 A S - 0 0 42 2,-0.0 -3,-2.0 15,-0.0 2,-0.3 -0.957 51.0-122.5-176.9-170.1 -7.4 -11.0 -2.1 29 29 A S E -C 24 0B 17 -2,-0.3 2,-0.2 -5,-0.2 15,-0.2 -0.953 12.5-142.1-160.6 138.4 -6.7 -7.3 -1.6 30 30 A H E -C 23 0B 37 -7,-1.0 -7,-0.8 -2,-0.3 -8,-0.6 -0.675 15.1-154.3-102.0 157.3 -4.3 -5.2 0.5 31 31 A Y - 0 0 85 -10,-0.3 2,-0.5 -2,-0.2 -10,-0.2 -0.758 17.4-112.7-124.6 171.5 -5.0 -1.9 2.3 32 32 A b - 0 0 4 -15,-0.3 -13,-2.6 -2,-0.2 -12,-0.4 -0.927 13.7-169.0-111.6 125.9 -3.0 1.1 3.4 33 33 A T - 0 0 94 -2,-0.5 -15,-0.2 3,-0.3 -1,-0.1 0.099 47.8-114.6 -96.3 21.6 -2.5 1.9 7.1 34 34 A G S S+ 0 0 35 -18,-0.3 -16,-0.1 -17,-0.2 3,-0.1 0.773 98.3 90.7 51.4 27.1 -1.1 5.3 6.4 35 35 A R S S- 0 0 203 1,-0.5 2,-0.3 3,-0.1 -1,-0.1 0.750 89.5 -1.5-112.0 -68.1 2.2 4.0 7.8 36 36 A S - 0 0 41 2,-0.2 -1,-0.5 1,-0.1 -3,-0.3 -0.776 59.8-119.4-124.9 169.6 4.4 2.5 5.1 37 37 A c S S+ 0 0 5 -2,-0.3 -28,-0.9 -33,-0.1 2,-0.9 0.766 84.5 102.7 -79.1 -27.0 4.2 1.8 1.4 38 38 A E S S- 0 0 130 -31,-0.1 -2,-0.2 -30,-0.1 -3,-0.1 -0.433 78.4-132.2 -62.1 101.0 4.6 -1.9 1.9 39 39 A d - 0 0 22 -2,-0.9 -7,-0.1 1,-0.1 -1,-0.1 -0.400 26.0-125.5 -59.2 110.1 1.0 -3.1 1.5 40 40 A P - 0 0 49 0, 0.0 -9,-0.2 0, 0.0 -1,-0.1 0.003 7.3-125.6 -52.6 163.2 0.4 -5.4 4.5 41 41 A S S S+ 0 0 86 -11,-0.1 -11,-0.1 1,-0.1 -2,-0.1 -0.089 79.1 105.9-104.2 32.9 -0.8 -9.0 3.9 42 42 A Y - 0 0 197 -11,-0.1 -11,-0.1 2,-0.0 -1,-0.1 -0.754 55.8-164.1-115.5 83.7 -3.8 -8.7 6.2 43 43 A P 0 0 67 0, 0.0 -13,-0.1 0, 0.0 -2,-0.0 0.222 360.0 360.0 -52.2-176.5 -6.9 -8.4 4.0 44 44 A G 0 0 116 -15,-0.2 -14,-0.1 -14,-0.0 -16,-0.0 0.427 360.0 360.0-154.4 360.0 -10.3 -7.1 5.3