==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 29-JUN-07 2JRY . COMPND 2 MOLECULE: I-SUPERFAMILY CONOTOXIN R11A; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS RADIATUS; . AUTHOR O.BUCZEK,D.WEI,J.BABON,X.YANG,B.FIEDLER,P.CHEN,D.YOSHIKAMI, . 46 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 39.1 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 . 4 8.7 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 2.2 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-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 . 9 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 6.5 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 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 . 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 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 G 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.8 14.0 -4.0 15.5 2 2 A X - 0 0 151 1,-0.1 2,-0.1 3,-0.0 0, 0.0 -0.217 360.0-112.4 -72.1 165.6 12.6 -2.7 12.2 3 3 A S - 0 0 106 2,-0.0 2,-1.0 1,-0.0 -1,-0.1 -0.404 31.1 -95.9 -93.9 175.1 8.9 -3.2 11.3 4 4 A F + 0 0 153 -2,-0.1 2,-0.3 12,-0.1 14,-0.2 -0.756 66.5 135.1 -94.6 99.2 7.5 -5.4 8.5 5 5 A a - 0 0 59 -2,-1.0 13,-0.2 12,-0.1 2,-0.1 -0.934 29.0-171.2-147.8 125.0 6.9 -3.1 5.5 6 6 A K - 0 0 132 11,-0.4 13,-1.6 -2,-0.3 -2,-0.0 -0.428 33.3 -94.0-102.5-177.7 7.7 -3.6 1.8 7 7 A A - 0 0 59 1,-0.2 3,-0.2 -2,-0.1 -1,-0.2 -0.097 50.0 -80.6 -84.3-170.1 7.5 -1.0 -1.0 8 8 A D S S+ 0 0 90 1,-0.2 2,-1.3 11,-0.1 20,-0.2 -0.257 107.2 41.5 -86.2 177.3 4.5 -0.4 -3.4 9 9 A E S S+ 0 0 138 18,-3.8 -1,-0.2 1,-0.2 2,-0.2 -0.029 76.7 130.1 74.5 -35.6 3.6 -2.5 -6.5 10 10 A K - 0 0 80 -2,-1.3 -1,-0.2 16,-0.3 2,-0.2 -0.285 57.9-137.7 -52.9 110.7 4.5 -5.6 -4.5 11 11 A X + 0 0 103 15,-0.3 2,-0.3 14,-0.2 -1,-0.1 -0.516 42.3 134.4 -76.2 139.9 1.4 -7.7 -5.2 12 12 A b - 0 0 38 11,-0.4 14,-0.3 -2,-0.2 3,-0.0 -0.977 59.8-102.7-170.5 175.2 -0.1 -9.7 -2.3 13 13 A E S S+ 0 0 163 -2,-0.3 2,-0.3 12,-0.1 -1,-0.1 0.880 97.5 32.6 -83.6 -41.4 -3.3 -10.6 -0.5 14 14 A Y - 0 0 165 1,-0.1 3,-0.1 7,-0.0 9,-0.1 -0.815 60.5-145.6-117.5 159.9 -3.2 -8.2 2.6 15 15 A H S > S+ 0 0 57 -2,-0.3 3,-1.7 1,-0.1 5,-0.3 0.754 81.9 90.3 -92.3 -25.7 -1.8 -4.7 3.2 16 16 A A T 3 S+ 0 0 89 1,-0.3 2,-0.5 6,-0.1 -1,-0.1 0.851 90.5 48.1 -37.9 -45.8 -0.7 -5.3 6.8 17 17 A D T 3 S+ 0 0 89 -3,-0.1 -11,-0.4 -12,-0.1 -1,-0.3 -0.173 109.2 66.0 -92.0 44.1 2.7 -6.5 5.6 18 18 A c S < S- 0 0 9 -3,-1.7 -11,-0.1 -2,-0.5 4,-0.1 -0.951 78.9-128.7-160.7 139.1 3.2 -3.5 3.2 19 19 A a S S+ 0 0 75 -13,-1.6 2,-0.1 -2,-0.3 -11,-0.1 0.231 100.4 28.4 -77.5 23.0 3.6 0.3 3.7 20 20 A N S S- 0 0 20 -5,-0.3 2,-0.4 -13,-0.2 9,-0.3 -0.327 107.2 -65.3-144.6-130.1 0.7 0.8 1.2 21 21 A d E -A 28 0A 0 7,-0.5 7,-3.9 -2,-0.1 2,-1.0 -0.957 30.6-138.1-139.9 122.3 -2.3 -1.2 0.2 22 22 A b E +A 27 0A 7 -2,-0.4 5,-0.3 5,-0.3 -7,-0.1 -0.646 43.0 160.7 -79.0 106.9 -2.3 -4.6 -1.5 23 23 A L E > -A 26 0A 57 3,-2.6 3,-1.2 -2,-1.0 -11,-0.4 -0.283 56.2 -21.8-110.6-160.5 -5.2 -4.3 -4.0 24 24 A S T 3 S- 0 0 128 1,-0.3 3,-0.1 -2,-0.1 -2,-0.1 0.633 133.2 -33.0 -9.7 -61.5 -6.2 -6.2 -7.2 25 25 A G T 3 S+ 0 0 35 1,-0.2 -1,-0.3 -14,-0.0 2,-0.2 -0.065 123.9 57.0-165.8 49.4 -2.6 -7.4 -7.7 26 26 A I E < S-A 23 0A 73 -3,-1.2 -3,-2.6 -14,-0.3 2,-1.0 -0.883 81.0-101.8-178.1 145.2 -0.1 -4.9 -6.4 27 27 A c E +A 22 0A 0 -5,-0.3 -18,-3.8 -2,-0.2 2,-0.4 -0.633 49.5 177.7 -77.6 102.9 0.8 -2.9 -3.2 28 28 A A E -A 21 0A 18 -7,-3.9 -7,-0.5 -2,-1.0 -2,-0.1 -0.920 29.5-158.9-113.5 134.6 -0.7 0.6 -3.9 29 29 A X S S+ 0 0 75 -2,-0.4 2,-3.1 -9,-0.3 11,-0.2 0.760 75.0 91.1 -78.4 -27.3 -0.6 3.5 -1.5 30 30 A S + 0 0 62 1,-0.2 -1,-0.2 -9,-0.1 3,-0.1 -0.302 57.0 105.9 -68.5 67.8 -3.5 5.4 -3.2 31 31 A T + 0 0 1 -2,-3.1 7,-1.2 7,-0.2 6,-0.4 -0.317 50.2 78.4-143.2 57.5 -6.2 3.7 -1.0 32 32 A N S S+ 0 0 60 4,-0.1 -1,-0.1 7,-0.1 -2,-0.1 0.026 94.1 33.5-154.4 36.3 -7.5 6.3 1.5 33 33 A W S S+ 0 0 175 2,-0.4 -2,-0.1 -3,-0.1 -3,-0.0 0.347 130.3 8.7-156.7 -46.6 -10.0 8.6 -0.2 34 34 A I S S+ 0 0 136 1,-0.3 -3,-0.1 -4,-0.1 -4,-0.0 0.624 123.0 52.1-118.7 -26.4 -12.0 6.8 -2.9 35 35 A L S S- 0 0 83 -5,-0.1 -2,-0.4 0, 0.0 -1,-0.3 -0.959 78.7-132.2-119.6 123.3 -11.1 3.1 -2.4 36 36 A P + 0 0 122 0, 0.0 -4,-0.1 0, 0.0 3,-0.0 -0.501 61.1 107.6 -72.1 132.0 -11.4 1.5 1.0 37 37 A G S S- 0 0 35 -6,-0.4 2,-0.3 -2,-0.3 -22,-0.1 0.057 80.1 -5.1-165.3 -70.9 -8.3 -0.5 1.9 38 38 A d - 0 0 29 -7,-1.2 2,-0.9 -9,-0.1 -7,-0.2 -0.879 59.0-133.5-147.7 112.3 -5.9 0.8 4.6 39 39 A S - 0 0 88 -2,-0.3 2,-2.1 1,-0.1 -7,-0.1 -0.481 15.5-159.5 -66.3 105.2 -6.2 4.2 6.3 40 40 A T + 0 0 88 -2,-0.9 2,-0.3 -11,-0.2 -1,-0.1 -0.310 35.7 152.3 -81.9 58.7 -2.7 5.6 6.2 41 41 A S > - 0 0 48 -2,-2.1 2,-3.0 1,-0.1 3,-0.5 -0.642 59.5-109.2 -90.1 147.6 -3.4 8.0 9.1 42 42 A S T 3 S+ 0 0 124 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.335 78.1 123.0 -72.2 67.9 -0.6 9.2 11.4 43 43 A F T 3 + 0 0 163 -2,-3.0 2,-3.0 1,-0.2 -1,-0.2 0.877 50.3 74.4 -95.6 -47.1 -1.9 7.2 14.4 44 44 A X S < S+ 0 0 218 -3,-0.5 -1,-0.2 2,-0.0 2,-0.1 -0.322 73.4 146.4 -65.6 71.0 1.2 5.0 15.2 45 45 A K 0 0 158 -2,-3.0 -2,-0.0 -3,-0.1 -3,-0.0 -0.407 360.0 360.0-101.1-178.3 3.0 8.0 16.8 46 46 A I 0 0 224 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.978 360.0 360.0-134.5 360.0 5.4 8.1 19.8