==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SHORT NEUROTOXIN 11-MAY-94 1COE . COMPND 2 MOLECULE: COBROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA ATRA; . AUTHOR C.YU,R.BHASKARAN,C.C.YANG . 62 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 23 37.1 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 . 15 24.2 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 . 5 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.2 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 . 1 1 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 ANTIPARALLEL 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 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 L 0 0 93 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 102.2 -13.1 5.6 -7.4 2 2 A E + 0 0 117 14,-0.1 57,-2.0 13,-0.1 2,-0.3 -0.932 360.0 166.9-149.9 123.2 -12.0 1.9 -7.5 3 3 A a - 0 0 2 -2,-0.3 12,-1.7 56,-0.1 2,-0.2 -0.978 24.6-134.8-136.1 149.6 -8.7 0.4 -6.3 4 4 A H E -A 14 0A 53 -2,-0.3 2,-0.5 10,-0.3 10,-0.3 -0.620 10.5-142.1 -99.7 162.7 -7.6 -3.3 -5.7 5 5 A N E +A 13 0A 30 8,-1.1 8,-1.0 -2,-0.2 2,-0.8 -0.818 24.0 168.3-128.4 96.4 -5.7 -4.5 -2.7 6 6 A Q > - 0 0 50 -2,-0.5 3,-0.8 33,-0.3 34,-0.1 -0.508 23.0-158.9-103.7 65.6 -3.1 -7.2 -3.4 7 7 A Q T 3 S- 0 0 113 -2,-0.8 4,-0.4 4,-0.3 31,-0.1 -0.197 75.2 -24.5 -46.1 112.7 -1.3 -7.2 0.0 8 8 A S T 3 S- 0 0 44 29,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.938 108.8 -75.7 42.0 76.1 2.1 -8.8 -0.9 9 9 A S S < S+ 0 0 86 -3,-0.8 2,-0.4 1,-0.2 -1,-0.1 -0.114 102.7 117.5 41.1 -95.6 0.9 -10.7 -4.0 10 10 A Q S S- 0 0 161 -2,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.108 92.1 -16.8 41.6 -92.7 -0.8 -13.5 -2.0 11 11 A T - 0 0 100 -4,-0.4 -4,-0.3 -2,-0.4 2,-0.3 -0.974 66.5-131.9-144.9 128.4 -4.3 -12.6 -3.4 12 12 A P + 0 0 83 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.592 31.8 178.4 -78.3 131.6 -5.5 -9.5 -5.2 13 13 A T E -A 5 0A 72 -8,-1.0 -8,-1.1 -2,-0.3 2,-0.4 -0.513 28.1-113.6-120.4-168.7 -8.8 -8.1 -3.8 14 14 A T E +A 4 0A 96 -10,-0.3 2,-0.3 -2,-0.2 -10,-0.3 -0.899 43.9 146.3-135.0 108.2 -11.0 -5.1 -4.6 15 15 A T - 0 0 74 -12,-1.7 -13,-0.1 -2,-0.4 2,-0.1 -0.855 21.4-169.5-144.6 107.2 -11.4 -2.3 -2.0 16 16 A G - 0 0 30 -2,-0.3 2,-0.2 -15,-0.1 -14,-0.1 -0.308 25.9-108.8 -86.7 176.7 -11.8 1.4 -3.0 17 17 A b + 0 0 13 23,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.583 41.7 155.7-102.3 168.9 -11.7 4.3 -0.5 18 18 A S + 0 0 98 -2,-0.2 4,-0.1 1,-0.1 0, 0.0 -0.972 39.9 75.6-171.9-177.5 -14.6 6.5 0.7 19 19 A G S S- 0 0 90 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.867 134.0 -30.2 66.5 32.7 -15.8 8.8 3.5 20 20 A G S S+ 0 0 79 1,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.823 117.3 113.5 94.2 36.5 -13.5 11.6 2.2 21 21 A E + 0 0 114 1,-0.0 -1,-0.3 -4,-0.0 -4,-0.1 -0.975 19.5 148.1-142.9 127.3 -10.7 9.3 0.8 22 22 A T + 0 0 80 -2,-0.4 2,-0.4 -3,-0.1 -20,-0.1 -0.228 38.7 106.0-153.9 56.1 -9.7 8.9 -2.9 23 23 A N - 0 0 67 -22,-0.0 19,-1.2 2,-0.0 2,-0.3 -0.973 46.8-155.3-141.8 127.0 -6.0 8.2 -3.1 24 24 A a E -BC 41 55B 12 31,-2.2 31,-1.9 -2,-0.4 2,-0.3 -0.720 13.0-165.8 -99.6 150.7 -4.3 4.9 -4.0 25 25 A Y E - C 0 54B 8 15,-0.9 2,-0.3 -2,-0.3 29,-0.2 -0.953 16.0-162.1-134.8 156.1 -0.7 4.1 -2.9 26 26 A K E + C 0 53B 19 27,-0.9 27,-0.8 -2,-0.3 2,-0.3 -0.734 26.0 160.2-138.4 87.2 1.9 1.4 -3.8 27 27 A K E +DC 38 52B 42 11,-2.4 11,-2.3 -2,-0.3 2,-0.3 -0.841 3.9 160.6-111.3 149.1 4.7 1.1 -1.2 28 28 A R E +DC 37 51B 139 23,-2.2 23,-2.3 -2,-0.3 2,-0.3 -0.987 6.9 174.1-161.0 152.0 7.1 -1.9 -0.7 29 29 A W E -D 36 0B 63 7,-2.2 7,-1.8 -2,-0.3 2,-0.4 -0.983 15.1-157.2-161.4 149.8 10.4 -2.5 1.0 30 30 A R + 0 0 226 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.942 26.8 152.6-136.4 114.9 12.8 -5.4 1.8 31 31 A D > - 0 0 129 -2,-0.4 3,-1.6 1,-0.0 2,-0.5 -0.794 60.1 -53.8-132.5 177.0 15.3 -5.2 4.6 32 32 A H T 3 S- 0 0 166 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 -0.313 125.0 -22.7 -54.0 104.2 17.1 -7.6 6.9 33 33 A R T 3 S+ 0 0 226 -2,-0.5 -1,-0.3 1,-0.1 -3,-0.0 0.974 127.0 90.6 55.2 55.5 14.1 -9.4 8.4 34 34 A G < + 0 0 26 -3,-1.6 2,-0.6 -5,-0.0 -2,-0.1 0.003 42.6 146.2-172.0 48.2 11.8 -6.5 7.6 35 35 A Y + 0 0 171 -5,-0.2 2,-0.3 -4,-0.1 -5,-0.2 -0.830 18.6 153.3 -98.1 123.5 10.2 -7.0 4.1 36 36 A R E -D 29 0B 155 -7,-1.8 -7,-2.2 -2,-0.6 2,-0.3 -0.936 21.7-165.9-142.3 165.9 6.6 -5.7 3.8 37 37 A T E +D 28 0B 15 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.973 7.1 174.8-155.9 138.9 4.3 -4.3 1.1 38 38 A E E +D 27 0B 96 -11,-2.3 -11,-2.4 -2,-0.3 2,-0.1 -0.988 8.5 174.2-148.1 136.3 1.0 -2.4 1.1 39 39 A R + 0 0 39 -2,-0.3 -33,-0.3 -13,-0.2 -13,-0.1 -0.533 45.7 98.5-142.4 74.1 -1.1 -0.9 -1.8 40 40 A G S S- 0 0 14 1,-0.2 -15,-0.9 -2,-0.1 2,-0.4 0.449 84.9 -19.3-121.3 -95.5 -4.4 0.4 -0.6 41 41 A b B S+B 24 0B 50 -17,-0.3 2,-0.3 -25,-0.1 -17,-0.3 -0.970 87.5 83.1-124.2 135.2 -5.0 4.1 0.2 42 42 A G - 0 0 21 -19,-1.2 3,-0.1 -2,-0.4 -20,-0.0 -0.990 28.1-179.0 167.0-163.3 -2.2 6.7 0.8 43 43 A c + 0 0 52 -2,-0.3 2,-0.8 1,-0.3 11,-0.1 -0.061 62.8 84.3 169.8 -53.3 0.3 9.0 -0.9 44 44 A P + 0 0 118 0, 0.0 -1,-0.3 0, 0.0 -19,-0.0 -0.643 65.2 88.3 -78.0 107.2 2.4 10.9 1.6 45 45 A S + 0 0 53 -2,-0.8 2,-0.3 -3,-0.1 0, 0.0 -0.118 45.3 142.7 161.8 89.4 5.3 8.6 2.6 46 46 A V + 0 0 113 -19,-0.0 2,-0.1 6,-0.0 5,-0.0 -0.936 7.4 152.0-140.4 164.3 8.5 8.6 0.7 47 47 A K - 0 0 157 -2,-0.3 2,-0.3 3,-0.1 5,-0.1 -0.403 50.9 -65.4-156.4-124.1 12.3 8.2 1.3 48 48 A N S S+ 0 0 154 -2,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.862 105.2 9.3-152.5 114.7 15.3 6.9 -0.7 49 49 A G S S+ 0 0 85 1,-0.4 0, 0.0 -2,-0.3 0, 0.0 -0.179 100.2 98.3 111.3 -41.8 15.8 3.3 -1.9 50 50 A I S S- 0 0 51 1,-0.1 2,-0.5 -21,-0.1 -1,-0.4 -0.044 79.5-107.2 -68.3-179.2 12.4 1.9 -0.9 51 51 A E E +C 28 0B 94 -23,-2.3 -23,-2.2 -3,-0.1 2,-0.4 -0.946 44.9 160.2-117.1 124.4 9.6 1.6 -3.6 52 52 A I E +C 27 0B 35 -2,-0.5 2,-0.3 -25,-0.2 -25,-0.2 -0.998 8.7 168.5-143.8 140.5 6.6 4.0 -3.5 53 53 A N E -C 26 0B 95 -27,-0.8 -27,-0.9 -2,-0.4 2,-0.4 -0.872 13.7-161.4-154.1 116.6 4.1 5.0 -6.2 54 54 A c E +C 25 0B 45 -2,-0.3 2,-0.3 -29,-0.2 -29,-0.2 -0.783 18.5 168.2 -99.9 142.4 0.8 7.0 -5.6 55 55 A d E +C 24 0B 28 -31,-1.9 -31,-2.2 -2,-0.4 5,-0.1 -0.984 23.2 174.0-148.8 159.0 -2.0 6.9 -8.2 56 56 A T + 0 0 70 -2,-0.3 -53,-0.0 -33,-0.2 -1,-0.0 -0.026 42.6 118.2-159.7 41.3 -5.6 7.9 -8.5 57 57 A T S S- 0 0 94 -55,-0.0 -1,-0.0 -56,-0.0 0, 0.0 -0.163 91.3 -89.2-105.2 41.1 -6.8 7.4 -12.1 58 58 A D S S+ 0 0 108 2,-0.1 -55,-0.1 -3,-0.0 -2,-0.1 0.862 113.1 14.6 54.5 104.4 -9.5 4.8 -11.3 59 59 A R S S+ 0 0 163 -57,-2.0 -56,-0.1 1,-0.1 3,-0.1 0.999 79.6 143.8 66.6 66.0 -7.9 1.3 -11.3 60 60 A d + 0 0 34 -58,-0.3 -1,-0.1 1,-0.1 -57,-0.1 0.021 38.3 96.3-124.2 28.2 -4.2 2.4 -11.3 61 61 A N 0 0 3 1,-0.2 -1,-0.1 -6,-0.0 -55,-0.1 0.044 360.0 360.0-104.7 27.4 -2.7 -0.4 -9.1 62 62 A N 0 0 156 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.292 360.0 360.0 -99.7 360.0 -1.6 -2.5 -12.0