==== 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 1COD . 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) . 4591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 41.9 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 . 17 27.4 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 . 1 1.6 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 . 1 1.6 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 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 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 0 118 0, 0.0 2,-0.3 0, 0.0 16,-0.2 0.000 360.0 360.0 360.0 107.2 -12.7 5.6 -7.1 2 2 A E - 0 0 103 14,-0.1 57,-0.9 20,-0.1 2,-0.3 -0.994 360.0-165.9-146.1 137.6 -11.6 2.2 -6.0 3 3 A a E -A 15 0A 4 12,-1.2 12,-2.7 -2,-0.3 2,-0.3 -0.770 21.3-119.5-118.3 166.0 -8.2 0.6 -5.7 4 4 A H E -A 14 0A 66 -2,-0.3 2,-0.4 10,-0.2 10,-0.3 -0.783 20.8-156.7-104.7 149.3 -7.2 -3.0 -5.2 5 5 A N E +A 13 0A 39 8,-2.2 8,-3.5 -2,-0.3 2,-0.3 -0.868 18.4 162.9-120.3 147.3 -5.3 -4.3 -2.3 6 6 A Q E -A 12 0A 48 33,-0.5 2,-0.3 -2,-0.4 3,-0.3 -0.772 33.7-130.1-159.1 115.0 -3.1 -7.3 -2.2 7 7 A Q S S- 0 0 108 4,-0.7 4,-0.2 -2,-0.3 3,-0.2 -0.522 75.5 -37.6 -70.9 121.7 -0.7 -8.1 0.3 8 8 A S S S- 0 0 64 29,-1.1 2,-1.1 -2,-0.3 -1,-0.1 0.933 113.3 -52.8 35.7 89.1 2.5 -9.1 -1.2 9 9 A S S S+ 0 0 73 -3,-0.3 -1,-0.1 28,-0.1 -2,-0.1 0.680 106.6 97.9 30.0 61.0 1.3 -10.9 -4.0 10 10 A Q S S+ 0 0 128 -2,-1.1 -2,-0.1 -3,-0.2 -1,-0.1 0.079 87.0 0.4-129.8-106.2 -1.0 -13.5 -3.0 11 11 A T - 0 0 93 -4,-0.2 -4,-0.7 -2,-0.0 2,-0.3 -0.826 69.7-132.7-104.1 123.1 -4.5 -12.8 -3.2 12 12 A P E -A 6 0A 85 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.567 26.1-173.7 -78.1 130.8 -5.6 -9.5 -4.6 13 13 A T E -A 5 0A 70 -8,-3.5 -8,-2.2 -2,-0.3 2,-0.4 -0.572 19.8-118.6-115.4-178.0 -8.3 -7.8 -2.6 14 14 A T E -A 4 0A 91 -10,-0.3 2,-0.4 -2,-0.2 -10,-0.2 -0.971 25.7-178.0-125.4 137.8 -10.4 -4.7 -3.3 15 15 A T E -A 3 0A 34 -12,-2.7 -12,-1.2 -2,-0.4 2,-0.7 -0.953 12.2-157.6-137.9 122.2 -10.4 -1.6 -1.2 16 16 A G - 0 0 52 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.1 -0.691 14.1-152.2 -95.7 114.2 -12.4 1.4 -1.5 17 17 A b + 0 0 25 -2,-0.7 3,-0.1 -16,-0.2 25,-0.0 -0.604 29.2 143.7 -85.2 130.8 -11.1 4.4 0.1 18 18 A S + 0 0 81 -2,-0.4 -1,-0.1 1,-0.1 4,-0.1 -0.358 27.2 80.8-156.3 74.1 -13.1 6.7 1.0 19 19 A G S S- 0 0 75 2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.870 120.8 -20.8-167.2 12.2 -13.1 8.8 3.5 20 20 A G S S+ 0 0 52 1,-0.4 2,-0.1 -3,-0.1 -1,-0.1 0.175 110.5 95.9 161.5 -39.6 -11.5 10.6 2.8 21 21 A E + 0 0 62 1,-0.1 -1,-0.4 -5,-0.1 -2,-0.3 -0.402 26.6 176.9 -82.1 151.4 -9.3 9.6 0.3 22 22 A T + 0 0 73 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.017 58.0 67.6-141.2 34.8 -9.3 9.8 -3.2 23 23 A N - 0 0 44 -22,-0.1 19,-2.2 34,-0.0 2,-0.3 -0.973 59.0-135.4-150.2 163.2 -6.1 8.3 -4.4 24 24 A a E +BC 41 55B 14 31,-1.1 31,-2.4 -2,-0.3 2,-0.3 -0.873 22.8 174.2-121.2 155.5 -4.3 5.1 -4.6 25 25 A Y E - C 0 54B 26 15,-0.6 2,-0.4 -2,-0.3 29,-0.2 -0.967 20.8-141.6-151.9 168.7 -0.6 4.3 -3.9 26 26 A K E - C 0 53B 76 27,-1.7 27,-1.6 -2,-0.3 2,-0.4 -0.976 18.7-179.6-138.9 124.5 1.8 1.4 -3.7 27 27 A K E +DC 38 52B 54 11,-2.5 11,-2.8 -2,-0.4 2,-0.3 -0.954 5.2 166.2-127.0 145.2 4.6 1.1 -1.2 28 28 A R E +DC 37 51B 95 23,-2.3 23,-2.5 -2,-0.4 2,-0.3 -0.998 1.9 156.9-154.5 150.9 7.2 -1.6 -0.7 29 29 A W E -D 36 0B 84 7,-2.7 7,-2.5 -2,-0.3 2,-0.5 -0.943 32.4-118.8-159.6-179.3 10.4 -2.1 1.2 30 30 A R + 0 0 137 -2,-0.3 2,-0.3 5,-0.3 5,-0.1 -0.880 42.3 141.5-137.8 111.1 12.6 -4.9 2.6 31 31 A D > - 0 0 95 -2,-0.5 2,-3.6 0, 0.0 3,-2.0 -0.882 55.2 -8.4-138.6 171.7 13.3 -5.2 6.0 32 32 A H T 3 S+ 0 0 128 1,-0.4 -2,-0.0 -2,-0.3 4,-0.0 0.221 142.5 14.2 29.2 -36.6 13.6 -8.0 8.2 33 33 A R T 3 S- 0 0 146 -2,-3.6 -1,-0.4 0, 0.0 -3,-0.0 0.833 118.0-121.6-126.6 -50.5 12.9 -10.2 7.0 34 34 A G S < S+ 0 0 18 -3,-2.0 2,-0.2 -5,-0.1 -2,-0.1 -0.105 70.9 62.7 128.5 -3.5 13.0 -8.6 4.2 35 35 A Y + 0 0 153 -4,-0.5 2,-0.4 -5,-0.1 -5,-0.3 -0.776 43.5 164.6-149.6 116.4 10.4 -8.1 1.8 36 36 A R E +D 29 0B 119 -7,-2.5 -7,-2.7 -2,-0.2 2,-0.4 -0.959 5.4 175.9-143.6 123.9 7.3 -6.2 2.5 37 37 A T E +D 28 0B 43 -2,-0.4 -29,-1.1 -9,-0.2 2,-0.3 -0.972 1.6 173.4-129.2 143.4 4.8 -4.8 0.0 38 38 A E E -D 27 0B 83 -11,-2.8 -11,-2.5 -2,-0.4 2,-0.3 -0.997 10.8-177.0-149.0 142.5 1.4 -3.1 0.6 39 39 A R + 0 0 31 -2,-0.3 -33,-0.5 -13,-0.2 -13,-0.1 -0.754 29.0 130.0-142.9 94.9 -1.0 -1.4 -1.6 40 40 A G - 0 0 32 -2,-0.3 -15,-0.6 1,-0.1 2,-0.2 -0.105 64.5 -61.1-122.0-133.7 -4.1 0.2 -0.1 41 41 A b B S+B 24 0B 39 -17,-0.2 2,-0.3 -38,-0.1 -17,-0.3 -0.832 83.6 76.6-112.9 152.4 -5.3 3.7 -0.7 42 42 A G - 0 0 21 -19,-2.2 3,-0.0 -2,-0.2 -25,-0.0 -0.960 48.5-146.3 138.9-158.1 -3.5 6.9 0.0 43 43 A c + 0 0 44 -2,-0.3 -1,-0.1 11,-0.1 11,-0.1 0.126 45.6 127.3 168.5 15.7 -0.7 8.8 -1.6 44 44 A P - 0 0 72 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.592 36.3-132.3 -76.9 179.4 1.4 10.5 0.8 45 45 A S + 0 0 55 -3,-0.0 7,-0.0 7,-0.0 -3,-0.0 -0.723 41.2 94.9-161.5 172.0 4.6 10.5 1.3 46 46 A V + 0 0 90 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.193 32.8 109.2 129.5 133.5 7.4 10.5 2.0 47 47 A K - 0 0 76 3,-0.1 2,-0.2 5,-0.0 5,-0.0 -0.984 35.3-133.5 171.7-169.8 10.3 8.5 2.2 48 48 A N S S+ 0 0 121 -2,-0.2 3,-0.1 3,-0.0 -2,-0.0 -0.755 79.8 17.1-172.3 120.8 13.4 7.8 0.7 49 49 A G S S+ 0 0 82 1,-0.4 -2,-0.0 -2,-0.2 0, 0.0 -0.131 101.7 89.5 105.0 -39.3 15.1 4.6 -0.3 50 50 A I S S- 0 0 54 1,-0.1 2,-0.5 -21,-0.1 -1,-0.4 -0.117 86.1 -97.8 -78.9-176.2 11.9 2.6 -0.2 51 51 A E E +C 28 0B 86 -23,-2.5 -23,-2.3 -3,-0.1 2,-0.3 -0.912 46.8 164.0-110.5 126.3 9.6 2.1 -3.1 52 52 A I E +C 27 0B 72 -2,-0.5 2,-0.3 -25,-0.2 -25,-0.2 -0.988 11.2 179.0-138.8 148.6 6.5 4.2 -3.5 53 53 A N E -C 26 0B 91 -27,-1.6 -27,-1.7 -2,-0.3 2,-0.4 -0.881 8.6-162.8-153.4 118.0 4.1 4.9 -6.3 54 54 A c E +C 25 0B 68 -2,-0.3 2,-0.3 -29,-0.2 -29,-0.3 -0.804 18.9 160.4-102.2 142.9 1.0 7.1 -6.3 55 55 A d E -C 24 0B 40 -31,-2.4 -31,-1.1 -2,-0.4 2,-0.2 -0.974 20.5-173.7-158.3 140.6 -1.6 6.8 -9.1 56 56 A T + 0 0 88 -2,-0.3 -53,-0.0 -33,-0.2 -2,-0.0 -0.583 45.1 110.4-138.8 78.6 -5.3 7.8 -9.4 57 57 A T S S- 0 0 89 -2,-0.2 -1,-0.0 0, 0.0 -34,-0.0 -0.409 90.6 -65.2-141.5 58.8 -6.8 6.6 -12.6 58 58 A D S S- 0 0 126 1,-0.1 -55,-0.1 2,-0.1 -2,-0.1 0.711 117.0 -11.2 54.1 105.7 -9.3 3.9 -12.2 59 59 A R S S+ 0 0 156 -57,-0.9 -56,-0.1 1,-0.1 -1,-0.1 0.961 81.2 157.6 46.9 64.7 -7.7 0.8 -10.9 60 60 A d + 0 0 41 -5,-0.2 2,-1.6 1,-0.1 -1,-0.1 0.496 41.2 97.5 -96.8 -2.6 -4.2 2.1 -11.4 61 61 A N 0 0 20 1,-0.1 -1,-0.1 -6,-0.1 -57,-0.0 -0.491 360.0 360.0 -83.6 85.6 -2.6 -0.3 -8.9 62 62 A N 0 0 138 -2,-1.6 -1,-0.1 -36,-0.0 -2,-0.0 0.273 360.0 360.0-138.2 360.0 -1.5 -2.9 -10.9