==== 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 05-APR-93 1NOR . COMPND 2 MOLECULE: NEUROTOXIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA OXIANA; . AUTHOR A.P.GOLOVANOV,Y.N.UTKIN,A.L.LOMIZE,V.I.TSETLIN,A.S.ARSENIEV . 61 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 50.8 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 29.5 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 1.6 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-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 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 4.9 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 L 0 0 47 0, 0.0 16,-2.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 121.7 -12.6 3.3 4.2 2 2 A E E +A 16 0A 74 14,-0.2 56,-1.5 12,-0.1 2,-0.3 -0.851 360.0 160.3 -98.5 119.0 -12.0 0.0 2.3 3 3 A a E -A 15 0A 2 12,-2.5 12,-2.1 -2,-0.6 54,-0.1 -0.834 42.3 -85.7-131.1 168.1 -8.5 -0.5 1.0 4 4 A H E -A 14 0A 13 -2,-0.3 10,-0.3 56,-0.3 -1,-0.1 -0.245 30.4-178.6 -70.7 162.5 -6.4 -3.4 -0.1 5 5 A N + 0 0 77 8,-2.1 33,-0.5 6,-0.2 9,-0.1 0.557 45.4 108.8-130.1 -38.7 -4.4 -5.4 2.3 6 6 A Q - 0 0 28 7,-0.7 32,-0.4 5,-0.3 2,-0.3 0.049 52.9-155.4 -41.7 154.1 -2.7 -8.0 0.2 7 7 A Q > - 0 0 73 30,-0.2 2,-1.4 -3,-0.0 3,-1.4 -0.952 53.9 -5.3-138.2 156.3 1.1 -7.5 -0.2 8 8 A S T 3 S- 0 0 45 28,-1.2 29,-0.1 -2,-0.3 -2,-0.0 -0.480 136.9 -22.5 66.0 -93.1 3.7 -8.5 -2.7 9 9 A S T 3 S+ 0 0 116 -2,-1.4 -1,-0.3 27,-0.1 -3,-0.1 -0.114 98.3 141.2-141.1 35.9 1.6 -10.7 -5.0 10 10 A Q < - 0 0 98 -3,-1.4 -2,-0.0 1,-0.2 -4,-0.0 -0.088 56.6 -80.2 -72.7 177.2 -1.2 -11.7 -2.7 11 11 A P - 0 0 76 0, 0.0 2,-1.9 0, 0.0 -5,-0.3 -0.191 57.2 -79.8 -75.0 170.8 -4.9 -12.0 -3.7 12 12 A P + 0 0 104 0, 0.0 2,-0.4 0, 0.0 49,-0.0 -0.539 69.0 161.2 -75.0 84.1 -7.3 -9.1 -4.0 13 13 A T - 0 0 51 -2,-1.9 -8,-2.1 2,-0.0 -7,-0.7 -0.873 15.2-175.3-110.2 140.8 -8.1 -8.6 -0.4 14 14 A T E -A 4 0A 21 -2,-0.4 2,-0.3 -10,-0.3 -10,-0.2 -0.780 4.8-174.3-127.4 171.1 -9.6 -5.5 1.2 15 15 A K E -A 3 0A 121 -12,-2.1 -12,-2.5 -2,-0.3 2,-0.4 -0.969 27.2-110.9-164.1 152.3 -10.5 -4.2 4.6 16 16 A T E -A 2 0A 95 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.765 28.8-149.3 -93.5 133.0 -12.2 -1.3 6.3 17 17 A b - 0 0 34 -16,-2.7 2,-0.5 -2,-0.4 -2,-0.0 -0.704 7.1-138.2 -99.8 152.4 -10.1 1.1 8.3 18 18 A S S S- 0 0 121 -2,-0.3 2,-1.7 1,-0.1 3,-0.1 -0.943 77.9 -10.3-115.3 131.2 -11.3 3.1 11.3 19 19 A G S S+ 0 0 88 -2,-0.5 2,-0.5 1,-0.1 -1,-0.1 -0.268 113.3 93.9 81.6 -50.1 -10.5 6.7 11.9 20 20 A E - 0 0 78 -2,-1.7 -3,-0.2 1,-0.1 -1,-0.1 -0.654 49.1-179.3 -80.0 123.6 -8.0 6.6 9.1 21 21 A T + 0 0 77 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.1 -0.211 58.0 74.1-114.6 39.4 -9.4 7.8 5.8 22 22 A N - 0 0 21 -21,-0.1 19,-2.5 2,-0.0 2,-0.3 -0.975 54.1-167.6-148.4 157.1 -6.3 7.3 3.8 23 23 A a E -BC 40 54B 0 31,-2.4 31,-2.3 17,-0.3 2,-0.3 -0.982 3.6-167.2-146.6 152.6 -4.3 4.5 2.3 24 24 A Y E -BC 39 53B 40 15,-2.5 15,-1.9 -2,-0.3 2,-0.4 -0.943 10.1-144.8-140.4 160.3 -0.8 4.2 0.7 25 25 A K E -BC 38 52B 35 27,-2.6 27,-2.4 -2,-0.3 2,-0.4 -0.992 13.2-173.7-130.7 136.1 1.1 1.6 -1.3 26 26 A K E +BC 37 51B 56 11,-3.3 11,-2.8 -2,-0.4 2,-0.3 -0.987 9.7 163.2-131.4 139.9 4.9 0.9 -1.1 27 27 A W E -BC 36 50B 72 23,-1.8 23,-2.2 -2,-0.4 2,-0.3 -0.972 9.7-177.6-150.6 158.3 7.0 -1.4 -3.3 28 28 A W E -B 35 0B 98 7,-2.4 7,-2.8 -2,-0.3 2,-0.2 -0.927 23.0-127.2-162.1 134.9 10.6 -1.9 -4.1 29 29 A S E -B 34 0B 85 -2,-0.3 5,-0.3 5,-0.2 2,-0.1 -0.575 26.1-168.5 -85.8 148.6 12.5 -4.2 -6.4 30 30 A D - 0 0 74 3,-2.8 3,-0.5 -2,-0.2 -1,-0.1 -0.345 47.2 -59.4-117.5-161.6 15.3 -6.4 -5.2 31 31 A H S S- 0 0 200 1,-0.2 -2,-0.0 -2,-0.1 3,-0.0 0.956 127.6 -11.5 -46.1 -69.9 18.0 -8.6 -6.8 32 32 A R S S+ 0 0 246 -3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.419 129.8 45.8-133.7 57.2 15.6 -10.8 -8.7 33 33 A G - 0 0 31 -3,-0.5 -3,-2.8 2,-0.0 2,-0.3 -0.964 67.6-118.7-174.2-178.4 12.2 -10.0 -7.2 34 34 A T E -B 29 0B 70 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.2 -0.941 15.6-152.5-147.5 120.4 9.8 -7.2 -6.1 35 35 A I E -B 28 0B 44 -7,-2.8 -7,-2.4 -2,-0.3 2,-0.4 -0.789 17.3-176.6 -95.4 132.8 8.4 -6.6 -2.7 36 36 A I E +B 27 0B 31 -2,-0.4 -28,-1.2 -9,-0.2 2,-0.3 -0.966 7.1 168.7-130.4 145.9 5.0 -4.9 -2.4 37 37 A E E -B 26 0B 55 -11,-2.8 -11,-3.3 -2,-0.4 2,-0.3 -0.961 6.4-175.2-158.2 138.0 3.0 -3.8 0.6 38 38 A R E +B 25 0B 28 -33,-0.5 2,-0.3 -32,-0.4 -13,-0.2 -0.833 14.0 141.5-130.4 168.0 -0.0 -1.7 1.2 39 39 A G E -B 24 0B 11 -15,-1.9 -15,-2.5 -2,-0.3 2,-0.2 -0.969 47.1 -66.5 178.4-175.4 -2.0 -0.3 4.2 40 40 A b E S+B 23 0B 37 -2,-0.3 -17,-0.3 -17,-0.3 2,-0.2 -0.600 87.8 33.6 -94.7 157.6 -3.9 2.6 5.6 41 41 A G S S- 0 0 11 -19,-2.5 13,-0.3 -2,-0.2 -2,-0.1 -0.631 85.2 -88.9 100.6-159.9 -2.4 6.0 6.5 42 42 A c - 0 0 81 -2,-0.2 -1,-0.1 11,-0.1 3,-0.1 -0.654 39.1-167.8-160.4 94.5 0.4 7.8 4.8 43 43 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.063 39.3 -75.6 -75.0-179.2 4.0 7.2 5.9 44 44 A K - 0 0 192 1,-0.1 2,-0.7 0, 0.0 -2,-0.0 -0.643 44.6-120.0 -83.1 135.4 7.1 9.3 5.0 45 45 A V - 0 0 98 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.1 -0.667 33.8-164.6 -78.9 112.9 8.4 8.8 1.5 46 46 A K > - 0 0 131 -2,-0.7 3,-0.9 3,-0.1 2,-0.2 -0.706 24.5-103.0 -99.6 151.4 12.0 7.5 1.8 47 47 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.532 104.7 26.7 -75.0 135.2 14.6 7.5 -1.0 48 48 A G T 3 S+ 0 0 76 -2,-0.2 2,-0.4 1,-0.2 0, 0.0 -0.006 108.3 83.7 104.1 -26.3 15.2 4.1 -2.6 49 49 A V S < S- 0 0 35 -3,-0.9 2,-0.4 -21,-0.1 -1,-0.2 -0.897 76.9-127.7-113.2 140.9 11.7 2.8 -1.7 50 50 A N E +C 27 0B 61 -23,-2.2 -23,-1.8 -2,-0.4 2,-0.3 -0.716 35.3 165.6 -88.8 134.1 8.6 3.4 -3.8 51 51 A L E -C 26 0B 32 -2,-0.4 2,-0.4 -25,-0.3 -25,-0.2 -0.993 15.4-171.8-149.9 142.6 5.6 4.8 -1.9 52 52 A N E -C 25 0B 72 -27,-2.4 -27,-2.6 -2,-0.3 2,-0.4 -0.996 7.7-157.2-140.2 131.3 2.3 6.4 -3.0 53 53 A c E +C 24 0B 47 -2,-0.4 2,-0.3 -29,-0.2 -29,-0.2 -0.857 21.6 158.0-109.3 143.5 -0.3 8.1 -0.8 54 54 A d E -C 23 0B 28 -31,-2.3 -31,-2.4 -2,-0.4 -13,-0.2 -0.965 40.5-142.1-156.4 163.8 -3.9 8.5 -1.9 55 55 A R + 0 0 195 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.1 0.042 67.8 110.1-118.9 21.8 -7.3 9.0 -0.3 56 56 A T S > S- 0 0 86 -33,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.745 78.4 -96.8-101.2 148.2 -9.2 6.7 -2.7 57 57 A D T 3 S- 0 0 98 -2,-0.3 -54,-0.2 1,-0.3 -1,-0.1 -0.351 108.1 -2.6 -62.1 137.8 -10.8 3.4 -1.8 58 58 A R T 3 S+ 0 0 124 -56,-1.5 -1,-0.3 -43,-0.2 -55,-0.2 0.787 92.0 137.4 47.9 30.1 -8.5 0.5 -2.7 59 59 A d < + 0 0 25 -3,-1.9 2,-1.2 1,-0.2 -1,-0.2 0.685 55.2 73.6 -76.1 -19.0 -6.2 3.1 -4.1 60 60 A N 0 0 0 -4,-0.3 -56,-0.3 -36,-0.1 -1,-0.2 -0.687 360.0 360.0 -98.0 79.7 -3.4 1.2 -2.5 61 61 A N 0 0 104 -2,-1.2 -24,-0.1 -36,-0.1 -2,-0.1 -0.155 360.0 360.0-131.1 360.0 -3.2 -1.8 -4.8