==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROTOXIN 30-APR-92 1NTX . COMPND 2 MOLECULE: ALPHA-NEUROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DENDROASPIS POLYLEPIS POLYLEPIS; . AUTHOR L.R.BROWN,K.WUTHRICH . 60 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4455.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 48.3 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 . 18 30.0 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 1.7 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 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 5.0 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+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 . 0 0 1 0 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 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 R 0 0 42 0, 0.0 16,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 145.0 -3.3 5.6 10.5 2 2 A I E +A 16 0A 74 14,-0.2 55,-2.4 16,-0.1 2,-0.3 -0.969 360.0 165.2-112.8 130.9 -5.0 7.1 7.5 3 3 A a E -A 15 0A 5 12,-3.0 12,-2.7 -2,-0.4 2,-0.2 -0.972 38.3 -99.2-149.4 154.7 -4.1 5.6 4.1 4 4 A Y E +A 14 0A 33 -2,-0.3 10,-0.3 10,-0.3 19,-0.2 -0.545 28.6 178.4 -76.7 141.3 -5.2 5.4 0.4 5 5 A N + 0 0 64 8,-2.5 2,-0.4 -2,-0.2 9,-0.2 -0.325 40.0 112.1-143.3 50.3 -7.1 2.3 -0.7 6 6 A H - 0 0 21 7,-0.3 3,-0.1 4,-0.1 6,-0.1 -0.979 52.2-147.0-113.7 143.3 -7.9 2.8 -4.4 7 7 A Q > - 0 0 101 -2,-0.4 3,-0.7 1,-0.3 29,-0.3 0.093 49.9 -45.7 -81.2-164.5 -6.3 0.7 -7.1 8 8 A S T 3 S+ 0 0 20 27,-1.9 -1,-0.3 1,-0.2 26,-0.1 -0.299 123.2 4.3 -53.1 155.1 -5.4 1.9 -10.6 9 9 A T T 3 S+ 0 0 153 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.674 102.8 117.0 39.9 41.1 -7.9 4.0 -12.5 10 10 A T S < S- 0 0 62 -3,-0.7 3,-0.1 3,-0.0 -1,-0.1 -0.951 76.8 -79.1-135.4 151.8 -10.5 4.1 -9.6 11 11 A R - 0 0 222 -2,-0.3 2,-0.6 1,-0.2 -4,-0.1 -0.197 59.2 -96.4 -49.4 135.2 -11.9 7.0 -7.6 12 12 A A + 0 0 59 -6,-0.1 2,-0.3 -8,-0.1 -1,-0.2 -0.465 55.3 176.1 -61.9 109.7 -9.5 8.2 -4.9 13 13 A T - 0 0 58 -2,-0.6 -8,-2.5 -3,-0.1 2,-0.3 -0.881 13.8-162.9-113.9 146.8 -10.6 6.4 -1.6 14 14 A T E -A 4 0A 72 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.3 -0.968 5.3-174.9-122.5 149.3 -9.0 6.4 1.8 15 15 A K E -A 3 0A 120 -12,-2.7 -12,-3.0 -2,-0.3 2,-0.3 -0.806 25.1-118.9-119.9 170.7 -9.4 4.0 4.8 16 16 A S E -A 2 0A 61 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.834 32.1-178.5-100.3 150.5 -8.1 4.1 8.3 17 17 A b - 0 0 31 -16,-2.5 23,-0.0 -2,-0.3 5,-0.0 -0.928 33.4-132.6-139.2 164.7 -5.8 1.3 9.6 18 20 A E S S+ 0 0 193 -2,-0.3 -1,-0.1 21,-0.0 -16,-0.1 0.800 75.0 102.2 -85.5 -35.7 -4.1 0.4 12.8 19 21 A E - 0 0 92 1,-0.1 -2,-0.2 -18,-0.1 21,-0.0 -0.011 69.8-138.3 -48.5 154.2 -0.7 -0.4 11.3 20 22 A N S S+ 0 0 114 19,-0.1 2,-0.2 -19,-0.1 -1,-0.1 0.690 86.8 58.7 -82.8 -23.9 2.2 2.0 11.4 21 23 A S - 0 0 17 33,-0.1 19,-2.9 -20,-0.1 2,-0.3 -0.666 60.6-173.0-106.3 161.3 3.0 1.2 7.7 22 24 A a E -BC 39 53B 0 31,-2.1 31,-3.0 17,-0.3 2,-0.3 -0.957 12.6-155.1-149.0 162.5 1.1 1.4 4.4 23 25 A Y E -BC 38 52B 20 15,-3.1 15,-1.8 -2,-0.3 2,-0.4 -0.905 21.6-143.5-142.4 161.5 1.9 0.2 0.9 24 26 A K E -BC 37 51B 67 27,-2.9 27,-1.9 -2,-0.3 2,-0.3 -0.998 19.2-164.3-119.5 116.9 1.6 0.4 -2.9 25 27 A K E -BC 36 50B 38 11,-2.8 11,-2.6 -2,-0.4 2,-0.3 -0.775 16.5-178.6 -85.7 147.1 1.6 -2.9 -4.9 26 28 A Y E +BC 35 49B 92 23,-2.4 23,-2.1 -2,-0.3 2,-0.3 -0.980 14.0 151.2-151.5 140.6 2.2 -2.5 -8.6 27 29 A W E -B 34 0B 72 7,-2.2 7,-2.4 -2,-0.3 2,-0.3 -0.908 21.2-149.9-152.8 174.9 2.5 -4.7 -11.7 28 30 A R E +B 33 0B 175 5,-0.3 5,-0.2 -2,-0.3 3,-0.1 -0.980 27.0 148.7-154.4 151.8 1.8 -4.5 -15.5 29 31 A D + 0 0 121 3,-1.0 4,-0.1 -2,-0.3 -1,-0.1 0.342 69.0 27.0-147.0 -72.3 0.7 -6.9 -18.2 30 32 A H S S- 0 0 171 2,-0.3 2,-1.5 1,-0.1 -1,-0.3 0.137 117.9 -48.4 -87.1-154.6 -1.3 -5.3 -20.9 31 33 A R S S+ 0 0 239 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.107 121.8 43.9 -81.6 41.0 -1.3 -1.6 -22.1 32 34 A G S S- 0 0 43 -2,-1.5 -3,-1.0 2,-0.0 2,-0.3 -0.920 81.0-111.5-174.4 156.4 -1.6 -0.3 -18.5 33 35 A T E -B 28 0B 72 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.3 -0.773 20.6-139.5 -96.6 138.6 -0.2 -0.9 -15.0 34 36 A I E -B 27 0B 68 -7,-2.4 -7,-2.2 -2,-0.3 2,-0.4 -0.914 24.4-176.7 -99.7 109.3 -2.3 -2.3 -12.2 35 37 A I E +B 26 0B 27 -2,-0.7 -27,-1.9 -9,-0.2 2,-0.3 -0.871 3.7 176.3-101.7 138.9 -1.5 -0.4 -9.0 36 38 A E E -B 25 0B 50 -11,-2.6 -11,-2.8 -2,-0.4 2,-0.3 -0.928 5.8-168.0-142.2 158.0 -3.2 -1.5 -5.7 37 39 A R E +B 24 0B 23 -2,-0.3 2,-0.3 -13,-0.3 -13,-0.2 -0.945 14.2 146.4-143.1 164.0 -2.7 -0.3 -2.1 38 40 A G E -B 23 0B 14 -15,-1.8 -15,-3.1 -2,-0.3 2,-0.2 -0.965 44.3 -66.1-178.9-170.3 -3.4 -1.0 1.5 39 41 A b E S+B 22 0B 45 -2,-0.3 -17,-0.3 -17,-0.3 2,-0.1 -0.537 87.9 26.5 -96.8 157.3 -2.2 -0.8 5.1 40 42 A G S S- 0 0 5 -19,-2.9 13,-0.2 -2,-0.2 -2,-0.2 -0.351 83.5 -96.5 82.3-170.6 0.7 -2.6 6.7 41 43 A c + 0 0 61 -20,-0.1 -1,-0.1 11,-0.1 2,-0.1 -0.500 48.7 169.8-147.5 69.6 3.9 -3.8 4.8 42 44 A P - 0 0 73 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.394 37.1-105.9 -78.3 162.4 3.6 -7.5 3.8 43 45 A K - 0 0 167 -2,-0.1 2,-0.2 7,-0.0 -2,-0.0 -0.776 35.1-158.1 -92.8 138.9 6.0 -9.3 1.5 44 46 A V - 0 0 31 -2,-0.4 3,-0.1 4,-0.1 6,-0.1 -0.461 20.2 -98.3-112.1 170.6 4.8 -10.2 -2.0 45 47 A K > - 0 0 148 1,-0.2 3,-1.0 -2,-0.2 -1,-0.1 -0.585 54.6 -72.1-102.3 155.8 5.8 -12.7 -4.6 46 48 A P T 3 S+ 0 0 133 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.003 113.1 24.7 -61.4 153.2 8.1 -12.0 -7.6 47 49 A G T 3 S+ 0 0 79 1,-0.1 2,-0.8 -3,-0.1 -3,-0.0 -0.326 100.2 93.4 90.2 -44.3 7.1 -10.0 -10.6 48 50 A V S < S- 0 0 53 -3,-1.0 -21,-0.2 -2,-0.6 -1,-0.1 -0.691 74.1-148.5 -78.9 106.8 4.5 -8.2 -8.5 49 51 A G E -C 26 0B 19 -23,-2.1 -23,-2.4 -2,-0.8 2,-0.3 -0.289 18.5-177.7 -76.9 165.4 6.3 -5.0 -7.4 50 52 A I E -C 25 0B 40 -25,-0.3 2,-0.3 -6,-0.1 -25,-0.2 -0.977 18.9-172.4-154.1 156.6 5.8 -3.2 -4.1 51 53 A H E -C 24 0B 121 -27,-1.9 -27,-2.9 -2,-0.3 2,-0.3 -0.869 11.6-163.8-149.0 137.4 6.8 -0.2 -2.0 52 54 A c E -C 23 0B 33 -2,-0.3 2,-0.3 -29,-0.3 -29,-0.3 -0.830 7.1-168.4-118.7 156.1 5.8 0.5 1.7 53 55 A d E -C 22 0B 28 -31,-3.0 -31,-2.1 -2,-0.3 2,-0.2 -0.980 23.2-132.6-154.3 152.3 6.0 3.8 3.6 54 56 A Q S S+ 0 0 96 -2,-0.3 2,-0.3 -33,-0.2 -33,-0.1 -0.312 71.7 73.8-115.5 42.7 5.7 5.0 7.1 55 57 A S S > S- 0 0 67 -2,-0.2 3,-1.9 -33,-0.1 4,-0.4 -0.987 85.4 -83.4-157.8 147.2 3.5 8.1 7.1 56 58 A D T 3 S+ 0 0 81 -2,-0.3 -53,-0.2 1,-0.3 -2,-0.1 -0.235 110.7 0.9 -57.7 136.6 -0.3 8.9 6.7 57 59 A K T 3 S+ 0 0 100 -55,-2.4 -1,-0.3 1,-0.1 3,-0.2 0.652 93.6 122.4 55.7 23.0 -1.6 9.1 3.1 58 60 A d < + 0 0 41 -3,-1.9 2,-2.2 1,-0.2 -2,-0.1 0.875 55.8 75.5 -69.4 -38.2 2.0 8.3 1.8 59 61 A N 0 0 3 -4,-0.4 -1,-0.2 -6,-0.1 -36,-0.1 -0.311 360.0 360.0 -82.9 57.3 0.7 5.3 -0.1 60 62 A Y 0 0 125 -2,-2.2 -2,-0.1 -3,-0.2 -3,-0.0 0.019 360.0 360.0 -81.5 360.0 -1.0 7.1 -3.1