==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 12-JUL-12 4B1Q . COMPND 2 MOLECULE: CONOTOXIN CCTX; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS CONSORS; . AUTHOR H.G.HOCKING,G.J.GERWIG,P.FAVREAU,R.STOCKLIN,J.P.KAMERLING,R. . 30 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2935.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 43.3 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 . 0 0.0 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 . 1 3.3 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 . 4 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 6.7 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 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P A 0 0 142 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.1 -2.2 -3.9 -2.0 2 2 P X - 0 0 156 1,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.500 360.0-155.7 -69.0 123.6 0.8 -3.9 -4.5 3 3 P W - 0 0 199 -2,-0.3 2,-1.2 1,-0.0 -1,-0.0 -0.809 15.7-129.1-100.6 137.3 2.2 -7.4 -5.1 4 4 P L - 0 0 163 -2,-0.4 -2,-0.0 0, 0.0 -1,-0.0 -0.768 31.5-160.5 -88.1 98.4 5.7 -7.8 -6.3 5 5 P V - 0 0 112 -2,-1.2 0, 0.0 1,-0.1 0, 0.0 -0.415 19.7-102.8 -76.8 156.0 5.3 -10.1 -9.2 6 6 P P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 12,-0.0 -0.076 33.1-112.8 -68.5 175.5 8.2 -12.1 -10.7 7 7 P S S S- 0 0 96 1,-0.1 2,-2.6 3,-0.1 0, 0.0 0.116 70.9 -41.0 -89.0-153.6 10.2 -11.2 -13.8 8 8 P Q S S+ 0 0 202 2,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.448 99.0 130.4 -76.4 71.5 10.1 -13.2 -17.0 9 9 P I - 0 0 81 -2,-2.6 2,-0.3 11,-0.0 9,-0.1 -0.865 56.2-122.0-121.9 151.7 10.2 -16.4 -15.0 10 10 P T - 0 0 82 -2,-0.3 2,-0.2 7,-0.1 -3,-0.1 -0.743 18.5-134.6 -97.6 147.9 8.0 -19.4 -15.4 11 11 P T - 0 0 50 -2,-0.3 2,-1.9 9,-0.1 10,-0.9 -0.544 36.9 -94.7 -89.3 160.4 5.9 -20.8 -12.6 12 12 P a S > S- 0 0 14 7,-1.0 3,-1.5 4,-0.8 8,-0.1 -0.669 92.8 -49.3 -76.4 83.7 5.8 -24.5 -12.0 13 13 P b T 3 S- 0 0 57 -2,-1.9 -1,-0.2 8,-0.5 7,-0.1 0.529 121.0 -37.4 68.0 11.1 2.7 -25.1 -14.0 14 14 P G T 3 S+ 0 0 60 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.446 114.3 119.2 113.5 7.0 0.9 -22.2 -12.2 15 15 P Y S < S- 0 0 162 -3,-1.5 -1,-0.1 1,-0.2 -2,-0.1 0.004 76.3 -36.0 -84.3-163.1 2.4 -22.8 -8.8 16 16 P N > - 0 0 124 1,-0.1 3,-1.8 -5,-0.1 -4,-0.8 -0.254 56.9-121.7 -57.9 146.3 4.6 -20.4 -6.8 17 17 P X T 3 S+ 0 0 53 1,-0.3 -1,-0.1 -6,-0.2 -7,-0.1 0.627 109.3 66.2 -68.7 -14.4 7.0 -18.2 -8.9 18 18 P G T 3 S+ 0 0 75 -9,-0.1 2,-0.4 -6,-0.1 -1,-0.3 0.632 96.1 67.0 -80.5 -12.9 10.0 -19.6 -6.9 19 19 P T S < S- 0 0 66 -3,-1.8 -7,-1.0 -7,-0.0 2,-0.4 -0.899 71.5-165.0-109.1 137.6 9.3 -23.0 -8.4 20 20 P M + 0 0 113 -2,-0.4 2,-0.3 -9,-0.2 -8,-0.3 -0.944 9.6 176.6-126.4 145.6 9.7 -23.6 -12.1 21 21 P a - 0 0 34 -10,-0.9 -8,-0.5 -2,-0.4 2,-0.1 -0.997 27.2-118.2-147.7 140.7 8.6 -26.3 -14.3 22 22 P X >> - 0 0 105 -2,-0.3 3,-2.3 1,-0.1 4,-0.6 -0.448 33.7-108.3 -75.7 157.9 8.8 -27.0 -18.0 23 23 P S H >>>S+ 0 0 76 1,-0.3 4,-3.3 2,-0.2 3,-1.1 0.818 117.7 65.1 -54.9 -34.5 5.7 -27.3 -20.2 24 24 P c H 345S+ 0 0 42 4,-0.3 -1,-0.3 1,-0.3 6,-0.2 0.740 107.9 41.0 -62.9 -22.6 6.3 -31.1 -20.5 25 25 P M H <45S+ 0 0 136 -3,-2.3 -1,-0.3 4,-0.1 -2,-0.2 0.478 122.0 42.2-102.9 -5.8 5.7 -31.3 -16.8 26 26 P b H <<5S+ 0 0 45 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.2 0.831 138.8 4.3-107.4 -50.9 2.8 -28.9 -16.9 27 27 P T T <5S- 0 0 98 -4,-3.3 -3,-0.2 2,-0.2 3,-0.1 0.238 95.5-120.4-119.4 6.8 0.7 -29.7 -19.9 28 28 P N < + 0 0 126 -5,-1.0 2,-0.8 -6,-0.2 -4,-0.3 0.500 66.1 144.2 63.5 9.9 2.9 -32.8 -20.8 29 29 P T 0 0 89 -6,-0.9 -1,-0.2 -7,-0.0 -2,-0.2 -0.667 360.0 360.0 -84.8 106.6 3.6 -31.1 -24.1 30 30 P c 0 0 126 -2,-0.8 -8,-0.0 -6,-0.2 0, 0.0 -0.973 360.0 360.0-155.3 360.0 7.1 -31.9 -25.1