==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 12-MAR-07 2P4L . COMPND 2 MOLECULE: I-SUPERFAMILY CONOTOXIN R11A; . SOURCE 2 ORGANISM_SCIENTIFIC: CONUS RADIATUS; . AUTHOR O.BUCZEK,D.X.WEI,J.J.BABON,X.D.YANG,B.FIEDLER,D.YOSHIKAMI, . 46 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 6.5 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 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 . 4 8.7 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+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 . 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 PARALLEL BRIDGES PER LADDER . 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 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 0 124 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 92.5 -18.5 4.5 -5.7 2 2 A X - 0 0 138 1,-0.1 2,-0.5 0, 0.0 0, 0.0 -0.313 360.0 -85.7 -72.6 157.5 -17.3 3.8 -2.1 3 3 A S - 0 0 121 -2,-0.0 2,-0.4 1,-0.0 -1,-0.1 -0.488 51.6-167.8 -66.0 116.4 -13.5 3.6 -1.4 4 4 A F + 0 0 186 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.0 -0.890 26.5 115.4-110.4 137.0 -12.5 -0.1 -2.1 5 5 A a - 0 0 53 -2,-0.4 13,-0.3 14,-0.0 12,-0.1 -0.974 60.0 -79.5 179.9 171.3 -9.2 -1.6 -1.0 6 6 A K B -a 18 0A 113 11,-4.2 13,-2.8 -2,-0.3 14,-0.2 -0.349 46.5-116.2 -82.8 169.1 -7.4 -4.2 1.2 7 7 A A - 0 0 49 11,-0.2 3,-0.2 1,-0.2 -1,-0.1 -0.427 35.3 -81.9 -99.9 178.3 -6.8 -3.6 5.0 8 8 A D S S+ 0 0 47 1,-0.2 2,-3.3 -2,-0.1 20,-0.2 0.030 107.5 39.5 -67.7-176.9 -3.5 -3.3 7.0 9 9 A E S S+ 0 0 153 18,-2.7 2,-1.0 1,-0.1 18,-0.4 -0.187 98.7 85.7 68.9 -53.4 -1.6 -6.4 8.2 10 10 A K S S- 0 0 104 -2,-3.3 16,-0.1 16,-0.2 -1,-0.1 -0.677 73.7-156.4 -83.0 101.7 -2.3 -8.2 4.9 11 11 A X - 0 0 70 -2,-1.0 2,-0.2 13,-0.2 12,-0.2 0.055 6.0-149.0 -66.6-178.1 0.4 -7.0 2.5 12 12 A b - 0 0 15 10,-1.0 -1,-0.1 2,-0.3 14,-0.1 -0.840 25.3-106.9-143.9-178.1 0.1 -7.0 -1.4 13 13 A E S S+ 0 0 164 -2,-0.2 11,-0.2 10,-0.1 -1,-0.1 0.928 106.1 19.0 -81.4 -48.7 2.2 -7.4 -4.6 14 14 A Y S S- 0 0 179 9,-0.1 -2,-0.3 -3,-0.1 8,-0.2 0.409 94.4-103.7 -92.7-128.5 2.1 -3.7 -5.6 15 15 A H S S+ 0 0 47 6,-0.1 7,-0.2 -4,-0.1 3,-0.2 0.471 103.3 61.9-141.9 -12.6 1.3 -0.8 -3.2 16 16 A A S S+ 0 0 86 1,-0.1 -10,-0.2 5,-0.1 5,-0.1 0.557 75.0 91.0 -96.8 -7.3 -2.3 0.4 -3.9 17 17 A D S S+ 0 0 57 -12,-0.1 -11,-4.2 5,-0.1 -1,-0.1 0.931 84.4 61.2 -52.7 -43.6 -4.1 -3.0 -3.0 18 18 A c B S-a 6 0A 4 -13,-0.3 -11,-0.2 -3,-0.2 4,-0.1 -0.485 100.7-110.8 -81.5 155.4 -4.4 -1.7 0.6 19 19 A a S S+ 0 0 66 -13,-2.8 -1,-0.1 -2,-0.1 -12,-0.1 0.652 112.0 2.6 -60.2 -8.8 -6.4 1.5 1.4 20 20 A N S S- 0 0 47 -14,-0.2 2,-0.3 1,-0.2 9,-0.2 0.360 127.7 -22.3-139.1 -79.5 -2.9 2.9 2.3 21 21 A d E -B 28 0B 15 7,-2.2 7,-3.0 -4,-0.1 2,-0.2 -0.996 41.8-173.4-143.8 148.5 0.3 0.9 1.7 22 22 A b E +B 27 0B 0 -2,-0.3 -10,-1.0 5,-0.3 5,-0.3 -0.587 11.9 179.2-144.9 82.5 1.1 -2.9 1.5 23 23 A L - 0 0 90 3,-1.3 3,-0.4 -2,-0.2 -11,-0.1 -0.403 48.4 -98.6 -79.9 160.8 4.8 -3.8 1.3 24 24 A S S S+ 0 0 112 1,-0.2 -13,-0.2 -11,-0.2 3,-0.1 0.883 125.1 58.2 -45.4 -42.3 5.9 -7.5 1.1 25 25 A G S S- 0 0 61 1,-0.2 2,-0.3 -15,-0.1 -1,-0.2 0.967 127.6 -55.8 -54.8 -55.0 6.5 -7.4 4.9 26 26 A I - 0 0 103 -3,-0.4 -3,-1.3 -16,-0.1 2,-0.3 -0.973 57.4 -81.3-176.4 167.8 2.8 -6.4 5.6 27 27 A c E -B 22 0B 3 -18,-0.4 -18,-2.7 -5,-0.3 2,-0.3 -0.633 44.7-172.6 -85.7 143.3 0.1 -3.8 4.9 28 28 A A E -B 21 0B 37 -7,-3.0 -7,-2.2 -2,-0.3 -8,-0.1 -0.978 23.4-110.2-137.2 150.4 0.2 -0.5 6.8 29 29 A X - 0 0 74 -2,-0.3 -9,-0.1 -9,-0.2 -22,-0.0 -0.107 29.6-115.7 -69.3 170.3 -2.1 2.6 7.1 30 30 A S S S+ 0 0 80 1,-0.1 2,-1.9 -11,-0.1 -1,-0.1 0.613 90.3 98.5 -86.6 -10.3 -1.2 6.0 5.6 31 31 A T + 0 0 121 2,-0.0 2,-0.2 0, 0.0 -2,-0.1 -0.535 56.7 130.8 -78.9 84.9 -1.0 7.7 9.0 32 32 A N - 0 0 77 -2,-1.9 -2,-0.0 1,-0.1 -4,-0.0 -0.661 38.7-167.7-125.4-177.4 2.8 7.5 9.4 33 33 A W S S+ 0 0 203 -2,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.441 79.6 5.2-138.3 -72.9 5.6 10.0 10.4 34 34 A I S S+ 0 0 119 2,-0.1 -2,-0.0 1,-0.0 0, 0.0 0.324 99.8 103.4-104.7 9.4 9.3 9.1 9.9 35 35 A L - 0 0 100 2,-0.0 2,-0.1 0, 0.0 -3,-0.0 -0.809 56.3-162.0 -97.0 107.9 8.7 5.7 8.1 36 36 A P + 0 0 126 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.396 43.6 108.9 -81.5 161.8 9.3 6.0 4.4 37 37 A G + 0 0 39 -2,-0.1 2,-0.8 1,-0.1 -2,-0.0 -0.007 60.3 71.2 163.3 -45.7 8.0 3.5 1.8 38 38 A d + 0 0 60 1,-0.1 2,-0.2 -17,-0.0 -1,-0.1 -0.837 44.5 155.8-103.0 108.1 5.1 4.9 -0.3 39 39 A S + 0 0 117 -2,-0.8 2,-0.5 -3,-0.1 -1,-0.1 -0.563 13.2 163.1-127.4 68.8 6.3 7.6 -2.8 40 40 A T + 0 0 124 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.758 4.5 162.4 -92.3 129.3 3.6 7.6 -5.6 41 41 A S - 0 0 110 -2,-0.5 2,-0.4 0, 0.0 3,-0.0 -0.999 38.4-116.8-144.8 139.6 3.6 10.7 -7.9 42 42 A S - 0 0 110 -2,-0.3 4,-0.1 1,-0.2 3,-0.0 -0.609 12.7-152.3 -78.5 130.6 2.0 11.2 -11.4 43 43 A F S S- 0 0 211 -2,-0.4 2,-0.2 2,-0.1 -1,-0.2 0.806 80.6 -3.8 -71.7 -25.8 4.6 11.9 -14.1 44 44 A F S S- 0 0 177 1,-0.2 -2,-0.0 -3,-0.0 0, 0.0 -0.734 90.7 -76.4-145.4-165.2 1.9 13.9 -16.1 45 45 A K 0 0 176 -2,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.019 360.0 360.0 -86.0-160.2 -1.8 14.8 -15.8 46 46 A I 0 0 217 -4,-0.1 -1,-0.0 0, 0.0 -2,-0.0 0.898 360.0 360.0 -85.1 360.0 -4.8 12.5 -16.6