==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 10-JUL-01 1IQ9 . COMPND 2 MOLECULE: ALPHA-NEUROTOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA NIGRICOLLIS; . AUTHOR R.MENEZ,M.H.LE DU,A.MENEZ . 61 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 44.3 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 . 19 31.1 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 . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.2 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 . 0 0 1 0 1 0 0 1 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,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.4 13.7 24.2 -9.2 2 2 A E E -A 16 0A 73 14,-0.2 56,-2.7 12,-0.0 57,-0.4 -0.884 360.0-175.3-101.2 134.9 15.2 22.9 -5.9 3 3 A a E -A 15 0A 0 12,-2.4 12,-2.1 -2,-0.4 37,-0.1 -0.973 29.3-112.0-131.5 146.0 13.1 23.6 -2.8 4 4 A H E +A 14 0A 18 -2,-0.4 10,-0.3 10,-0.2 20,-0.2 -0.450 31.1 178.7 -68.8 150.6 13.6 23.0 0.9 5 5 A N + 0 0 63 8,-1.1 33,-0.3 -2,-0.1 9,-0.1 0.294 32.8 122.3-138.5 5.2 11.2 20.4 2.2 6 6 A Q - 0 0 10 7,-0.6 2,-0.3 31,-0.1 32,-0.1 -0.419 59.2-118.8 -76.1 151.4 12.0 20.0 5.9 7 7 A Q > - 0 0 105 30,-0.1 3,-2.4 4,-0.1 30,-0.2 -0.671 58.8 -45.4 -90.9 140.0 9.4 20.5 8.6 8 8 A S T 3 S- 0 0 31 28,-2.9 27,-0.1 -2,-0.3 -2,-0.1 -0.027 122.6 -10.0 45.5-115.9 9.6 23.2 11.3 9 9 A S T 3 S+ 0 0 123 2,-0.0 -1,-0.3 3,-0.0 26,-0.0 0.288 97.9 128.8 -99.0 9.8 13.0 23.4 13.0 10 10 A Q S < S- 0 0 128 -3,-2.4 -4,-0.1 1,-0.2 3,-0.1 -0.096 75.9 -78.3 -61.1 158.4 14.4 20.1 11.4 11 11 A P - 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.395 63.0 -95.7 -59.1 136.4 17.8 20.2 9.7 12 12 A P + 0 0 77 0, 0.0 2,-0.3 0, 0.0 49,-0.0 -0.293 51.4 171.4 -59.7 136.1 17.4 21.7 6.2 13 13 A T - 0 0 69 -3,-0.1 -8,-1.1 2,-0.0 -7,-0.6 -0.877 16.4-143.0-135.7 167.6 16.9 19.3 3.4 14 14 A T E -A 4 0A 71 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.942 11.3-173.4-136.4 158.1 16.0 19.8 -0.4 15 15 A K E -A 3 0A 94 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.3 -0.920 32.6-110.0-139.9 159.2 14.0 18.0 -3.1 16 16 A T E -A 2 0A 85 -2,-0.3 -14,-0.2 -14,-0.2 24,-0.1 -0.725 22.9-150.4 -90.3 154.5 13.8 18.8 -6.8 17 17 A b > - 0 0 2 -16,-2.9 3,-1.6 -2,-0.3 24,-0.1 -0.722 11.0-154.8-127.5 79.5 10.5 20.2 -8.0 18 18 A P T 3 S+ 0 0 112 0, 0.0 3,-0.1 0, 0.0 22,-0.0 -0.278 78.5 6.7 -56.4 132.9 9.9 19.2 -11.6 19 19 A G T 3 S+ 0 0 87 1,-0.2 2,-0.4 2,-0.0 0, 0.0 0.692 101.9 121.6 68.1 21.9 7.6 21.6 -13.5 20 20 A E < - 0 0 88 -3,-1.6 -1,-0.2 1,-0.1 -3,-0.1 -0.907 41.1-176.2-118.9 147.4 7.4 24.1 -10.6 21 21 A T S S+ 0 0 94 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.462 71.7 58.2-113.2 -10.0 8.3 27.7 -10.7 22 22 A N - 0 0 44 -21,-0.1 19,-2.8 -5,-0.1 2,-0.3 -0.843 56.5-159.8-125.6 158.5 7.6 28.2 -7.0 23 23 A a E -BC 40 54B 0 31,-2.1 31,-2.4 -2,-0.3 2,-0.3 -0.936 24.2-148.9-124.9 150.2 8.7 26.9 -3.5 24 24 A Y E -BC 39 53B 30 15,-2.5 15,-1.6 -2,-0.3 2,-0.4 -0.900 19.6-166.8-129.8 158.4 6.5 27.5 -0.5 25 25 A K E -BC 38 52B 43 27,-2.1 27,-2.4 -2,-0.3 2,-0.5 -0.985 15.1-171.2-137.8 118.1 6.7 28.0 3.2 26 26 A K E -BC 37 51B 44 11,-3.0 11,-2.4 -2,-0.4 2,-0.4 -0.976 1.3-171.3-115.5 128.2 3.5 27.6 5.2 27 27 A V E +BC 36 50B 35 23,-2.9 23,-2.6 -2,-0.5 2,-0.3 -0.951 17.1 145.9-123.2 132.0 3.3 28.5 8.9 28 28 A W E -B 35 0B 49 7,-2.3 7,-3.5 -2,-0.4 2,-0.4 -0.970 36.1-123.4-154.2 170.2 0.4 27.9 11.2 29 29 A R E +B 34 0B 160 -2,-0.3 2,-0.3 19,-0.3 5,-0.2 -0.948 32.6 154.1-122.2 135.0 -0.4 27.0 14.8 30 30 A D E > -B 33 0B 41 3,-2.6 3,-1.4 -2,-0.4 -2,-0.0 -0.813 64.4 -69.2-140.7-174.2 -2.4 24.1 16.1 31 31 A H T 3 S+ 0 0 170 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.827 131.1 57.1 -48.9 -34.6 -2.7 22.1 19.3 32 32 A R T 3 S- 0 0 145 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.827 118.0-111.6 -68.0 -29.0 0.8 20.7 18.5 33 33 A G E < -B 30 0B 13 -3,-1.4 -3,-2.6 2,-0.0 2,-0.4 -0.960 65.1 -10.4 131.8-153.0 2.2 24.2 18.4 34 34 A T E -B 29 0B 87 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.698 64.8-164.6 -85.5 128.5 3.6 26.2 15.5 35 35 A I E -B 28 0B 13 -7,-3.5 -7,-2.3 -2,-0.4 2,-0.4 -0.906 8.5-165.9-114.5 141.1 4.1 24.1 12.3 36 36 A I E -B 27 0B 32 -2,-0.4 -28,-2.9 -9,-0.2 2,-0.4 -0.994 6.8-173.3-127.4 121.6 6.2 25.1 9.3 37 37 A E E -B 26 0B 63 -11,-2.4 -11,-3.0 -2,-0.4 2,-0.3 -0.921 4.1-176.0-113.5 141.5 5.7 23.0 6.1 38 38 A R E +B 25 0B 21 -2,-0.4 2,-0.3 -33,-0.3 -13,-0.2 -0.987 21.5 110.9-136.7 149.7 8.0 23.6 3.1 39 39 A G E -B 24 0B 4 -15,-1.6 -15,-2.5 -2,-0.3 2,-0.2 -0.960 56.9 -31.0 176.9-161.1 7.9 22.1 -0.4 40 40 A b E S+B 23 0B 30 -2,-0.3 -17,-0.3 -17,-0.2 2,-0.0 -0.488 92.4 2.4 -84.7 147.8 7.3 22.5 -4.1 41 41 A G S S- 0 0 4 -19,-2.8 13,-0.2 -2,-0.2 -2,-0.2 -0.294 82.0 -83.9 79.7-164.6 4.8 24.9 -5.7 42 42 A c - 0 0 64 11,-0.1 2,-0.1 -20,-0.1 -1,-0.1 -0.904 32.0-154.3-154.4 113.3 2.5 27.4 -4.1 43 43 A P - 0 0 52 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.351 38.9 -82.1 -79.3 169.4 -0.9 26.7 -2.7 44 44 A T - 0 0 131 1,-0.1 2,-0.2 -2,-0.1 0, 0.0 -0.357 50.0 -96.7 -76.0 153.3 -3.6 29.3 -2.4 45 45 A V - 0 0 126 -3,-0.1 -1,-0.1 -2,-0.1 5,-0.1 -0.475 42.8-173.7 -68.9 134.8 -3.7 31.8 0.4 46 46 A K > - 0 0 121 3,-0.3 3,-1.7 -2,-0.2 5,-0.0 -0.996 31.3-102.4-131.9 138.8 -6.0 30.8 3.4 47 47 A P T 3 S+ 0 0 125 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.314 107.7 25.6 -61.5 140.0 -6.9 33.0 6.5 48 48 A G T 3 S+ 0 0 79 1,-0.2 2,-0.4 -20,-0.0 -19,-0.3 0.029 104.5 92.6 96.9 -28.6 -5.0 31.9 9.6 49 49 A I < - 0 0 40 -3,-1.7 2,-0.6 -21,-0.1 -3,-0.3 -0.848 68.2-143.8-102.0 130.7 -2.1 30.4 7.6 50 50 A K E -C 27 0B 129 -23,-2.6 -23,-2.9 -2,-0.4 2,-0.4 -0.866 25.2-170.1 -93.8 123.3 0.9 32.6 6.8 51 51 A L E -C 26 0B 32 -2,-0.6 2,-0.4 -25,-0.2 -25,-0.2 -0.922 15.8-176.7-120.5 137.0 2.2 31.7 3.3 52 52 A N E -C 25 0B 73 -27,-2.4 -27,-2.1 -2,-0.4 2,-0.4 -0.999 5.5-173.8-128.9 126.8 5.4 32.6 1.5 53 53 A c E -C 24 0B 47 -2,-0.4 2,-0.3 -29,-0.2 -29,-0.2 -0.989 8.9-179.6-121.3 132.4 6.0 31.6 -2.1 54 54 A d E -C 23 0B 34 -31,-2.4 -31,-2.1 -2,-0.4 -13,-0.1 -0.884 27.3-140.5-132.1 164.6 9.3 32.2 -3.8 55 55 A T + 0 0 93 -2,-0.3 2,-0.3 -33,-0.2 3,-0.0 0.372 68.6 76.1-105.8 1.3 10.9 31.6 -7.2 56 56 A T S > S- 0 0 91 1,-0.1 3,-1.8 -33,-0.1 4,-0.2 -0.791 89.2 -74.7-116.3 162.8 14.6 30.7 -6.6 57 57 A D T 3 S- 0 0 91 -2,-0.3 -54,-0.2 1,-0.3 -1,-0.1 -0.204 111.8 -7.9 -53.6 132.8 16.4 27.5 -5.5 58 58 A K T 3 S+ 0 0 119 -56,-2.7 3,-0.4 1,-0.1 -1,-0.3 0.735 89.4 138.5 50.4 32.1 16.2 26.8 -1.8 59 59 A d < + 0 0 42 -3,-1.8 2,-0.4 -57,-0.4 -1,-0.1 0.693 51.7 74.2 -77.3 -19.6 14.5 30.2 -1.2 60 60 A N 0 0 3 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 -0.114 360.0 360.0 -90.7 38.8 11.9 28.8 1.3 61 61 A N 0 0 94 -3,-0.4 -1,-0.2 -2,-0.4 -2,-0.1 0.940 360.0 360.0 -76.8 360.0 14.0 28.2 4.4