==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 20-JAN-13 3ZJX . COMPND 2 MOLECULE: EPSILON-TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS D; . AUTHOR M.BOKORI-BROWN,M.C.KOKKINIDOU,C.G.SAVVA,S.P.FERNANDES DA COS . 1101 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 761 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 426 38.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 4 0.4 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 . 124 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 7 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 . 3 3 0 8 8 4 4 0 0 0 0 4 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 8 0 0 0 0 1 1 0 0 0 0 0 0 0 0 1 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 13 A A 0 0 56 0, 0.0 216,-0.1 0, 0.0 218,-0.1 0.000 360.0 360.0 360.0 167.3 -20.6 94.4 122.3 2 14 A M + 0 0 110 214,-0.3 215,-0.1 216,-0.1 2,-0.0 0.806 360.0 90.1 -82.9 -32.2 -22.3 97.7 122.8 3 15 A A - 0 0 30 213,-0.2 222,-0.4 215,-0.0 2,-0.3 -0.309 50.4-176.4 -77.5 151.9 -23.9 98.1 119.4 4 16 A S - 0 0 57 220,-0.1 2,-0.3 -2,-0.0 222,-0.3 -0.994 13.5-143.5-148.9 138.4 -27.4 96.9 118.5 5 17 A Y B -a 226 0A 54 220,-2.6 222,-2.0 -2,-0.3 3,-0.1 -0.809 7.4-162.6-111.6 147.0 -29.2 97.0 115.2 6 18 A D S S+ 0 0 106 -2,-0.3 2,-0.3 220,-0.2 -1,-0.1 0.385 78.4 51.5-107.4 0.6 -32.9 97.6 114.6 7 19 A N >> + 0 0 56 1,-0.1 4,-1.0 103,-0.1 3,-0.8 -0.754 48.1 178.9-147.7 97.4 -33.2 96.2 111.1 8 20 A V H 3> S+ 0 0 0 101,-2.7 4,-2.3 -2,-0.3 3,-0.3 0.823 85.3 63.3 -61.8 -33.7 -32.0 92.7 110.1 9 21 A D H 3> S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.783 97.3 57.5 -63.3 -30.7 -33.2 93.2 106.5 10 22 A T H <> S+ 0 0 76 -3,-0.8 4,-1.0 2,-0.2 -1,-0.2 0.878 108.6 45.4 -67.1 -39.4 -30.8 96.1 106.1 11 23 A L H >X S+ 0 0 10 -4,-1.0 4,-2.5 -3,-0.3 3,-0.5 0.927 111.1 51.8 -69.6 -47.6 -27.9 93.8 106.9 12 24 A I H 3X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.920 110.7 50.0 -53.4 -45.0 -29.1 91.0 104.7 13 25 A E H 3X S+ 0 0 109 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.747 108.3 52.4 -66.8 -26.2 -29.3 93.6 101.8 14 26 A K H < S+ 0 0 165 -4,-1.7 3,-0.6 1,-0.2 4,-0.3 0.895 110.1 43.7 -60.5 -42.3 -13.0 91.9 90.3 27 39 A M H >X S+ 0 0 29 -4,-0.7 4,-2.8 -3,-0.4 3,-1.4 0.664 89.7 91.0 -76.6 -18.2 -13.9 92.3 86.6 28 40 A E T 3< S+ 0 0 55 -4,-1.3 -1,-0.2 1,-0.3 6,-0.2 0.783 80.1 58.6 -51.9 -35.1 -13.3 96.1 86.8 29 41 A K T <4 S+ 0 0 38 -3,-0.6 511,-0.4 -4,-0.5 -1,-0.3 0.875 115.9 35.0 -62.9 -37.4 -9.6 95.7 85.8 30 42 A Y T <4 S+ 0 0 83 -3,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.901 131.3 30.4 -83.0 -47.2 -10.7 94.0 82.5 31 43 A Y S >< S- 0 0 76 -4,-2.8 3,-1.7 1,-0.1 -1,-0.3 -0.920 70.7-165.3-115.4 101.7 -13.9 96.0 81.9 32 44 A P T 3 S+ 0 0 113 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.690 89.3 50.7 -64.2 -19.7 -13.4 99.5 83.3 33 45 A N T > S+ 0 0 91 1,-0.2 3,-0.6 2,-0.1 4,-0.2 0.013 76.3 114.0-100.9 25.4 -17.2 100.3 83.1 34 46 A A G X + 0 0 8 -3,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.858 67.4 59.8 -67.3 -38.0 -18.2 97.0 84.9 35 47 A M G > S+ 0 0 43 -3,-0.3 3,-1.8 1,-0.3 -1,-0.2 0.785 91.1 70.5 -63.0 -28.5 -19.6 98.8 88.0 36 48 A A G < S+ 0 0 89 -3,-0.6 3,-0.3 1,-0.3 -1,-0.3 0.593 91.4 61.2 -64.0 -12.3 -22.2 100.6 85.7 37 49 A Y G X> + 0 0 128 -3,-1.7 4,-1.5 -4,-0.2 3,-1.1 0.256 67.2 115.5 -98.0 12.4 -23.9 97.2 85.3 38 50 A F T <4 S+ 0 0 39 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.802 75.8 50.2 -51.2 -36.5 -24.6 96.8 89.0 39 51 A D T 34 S+ 0 0 151 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.765 106.9 53.9 -76.0 -28.0 -28.4 96.9 88.4 40 52 A K T <4 S+ 0 0 118 -3,-1.1 2,-0.3 -4,-0.1 -2,-0.2 0.791 84.9 97.4 -77.6 -30.3 -28.4 94.3 85.6 41 53 A V < - 0 0 24 -4,-1.5 2,-0.2 1,-0.1 -21,-0.1 -0.464 67.6-142.2 -68.9 126.8 -26.6 91.6 87.7 42 54 A T - 0 0 70 -2,-0.3 2,-0.4 153,-0.2 -2,-0.1 -0.544 12.8-165.9 -85.4 145.4 -29.0 89.1 89.2 43 55 A I - 0 0 32 -2,-0.2 151,-0.2 151,-0.2 -27,-0.0 -0.995 4.1-163.9-131.4 130.9 -28.5 87.6 92.7 44 56 A N E -R 193 0B 70 149,-3.2 149,-1.7 -2,-0.4 2,-0.1 -0.874 6.8-153.6-120.8 95.3 -30.6 84.5 93.6 45 57 A P E +R 192 0B 61 0, 0.0 147,-0.3 0, 0.0 3,-0.1 -0.436 15.2 177.7 -65.4 140.5 -30.8 83.6 97.3 46 58 A Q E - 0 0 82 145,-3.1 2,-0.3 1,-0.4 146,-0.2 0.686 55.6 -20.6-116.9 -36.1 -31.5 79.9 97.8 47 59 A G E -R 191 0B 21 144,-2.0 144,-2.5 2,-0.0 -1,-0.4 -0.971 49.6-167.2-160.7 177.9 -31.4 79.4 101.5 48 60 A N E -R 190 0B 82 -2,-0.3 142,-0.2 142,-0.3 140,-0.1 -0.972 22.4-151.5-161.1 164.4 -30.4 80.6 104.9 49 61 A D + 0 0 83 140,-2.1 2,-0.2 -2,-0.3 141,-0.1 -0.201 38.0 160.1-131.0 39.5 -30.1 79.6 108.5 50 62 A F + 0 0 17 139,-0.2 2,-0.3 138,-0.2 138,-0.2 -0.471 16.8 179.2 -61.7 129.8 -30.6 83.1 110.0 51 63 A Y E -B 187 0A 147 136,-2.3 136,-2.3 -2,-0.2 2,-0.8 -0.990 31.5-137.4-141.0 142.9 -31.6 82.6 113.7 52 64 A I E -B 186 0A 5 62,-0.4 2,-0.3 -2,-0.3 134,-0.2 -0.886 29.2-151.2-103.1 105.0 -32.5 84.9 116.6 53 65 A N E -B 185 0A 44 132,-3.3 132,-2.4 -2,-0.8 -2,-0.0 -0.564 66.7 -4.2 -81.3 136.4 -30.8 83.4 119.7 54 66 A N E S- 0 0 108 -2,-0.3 -1,-0.2 130,-0.2 2,-0.2 0.910 77.0-163.7 52.9 54.4 -32.3 84.0 123.2 55 67 A P E + 0 0 45 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.509 18.4 167.8 -66.7 132.1 -35.2 86.3 122.2 56 68 A K E -B 183 0A 117 127,-2.5 127,-2.4 -2,-0.2 2,-0.4 -0.979 35.1-124.6-144.8 159.5 -36.5 88.0 125.3 57 69 A V E -B 182 0A 23 61,-0.5 2,-0.4 -2,-0.3 125,-0.2 -0.879 28.2-171.1-101.6 134.6 -38.8 90.9 126.3 58 70 A E E -B 181 0A 95 123,-2.7 123,-3.1 -2,-0.4 2,-0.1 -0.987 28.4-109.9-128.8 139.0 -37.3 93.5 128.5 59 71 A L E -B 180 0A 86 -2,-0.4 2,-0.5 121,-0.2 121,-0.3 -0.411 24.9-156.7 -62.2 138.6 -39.1 96.4 130.3 60 72 A D E -B 179 0A 78 119,-2.5 119,-0.5 1,-0.2 2,-0.1 -0.829 68.9 -16.8-122.7 87.7 -38.2 99.7 128.8 61 73 A G E S- 0 0 54 -2,-0.5 -1,-0.2 117,-0.1 118,-0.1 -0.162 101.8 -57.7 93.1 162.5 -38.8 102.2 131.5 62 74 A E E - 0 0 165 -3,-0.1 117,-0.1 1,-0.1 2,-0.1 -0.497 60.4-103.2 -75.0 143.9 -40.9 101.6 134.6 63 75 A P E - 0 0 11 0, 0.0 2,-0.4 0, 0.0 115,-0.2 -0.408 30.6-131.4 -60.8 142.2 -44.5 100.6 134.2 64 76 A S E -B 177 0A 59 113,-3.1 113,-2.6 -2,-0.1 2,-0.5 -0.830 23.1-159.8 -93.7 138.7 -47.0 103.4 134.8 65 77 A M E +B 176 0A 86 -2,-0.4 2,-0.4 111,-0.2 111,-0.2 -0.980 14.0 173.3-130.2 121.7 -49.9 102.3 137.2 66 78 A N E -B 175 0A 92 109,-2.2 109,-3.4 -2,-0.5 2,-0.3 -0.978 32.1-121.7-128.6 138.6 -53.2 104.0 137.5 67 79 A Y E -B 174 0A 149 -2,-0.4 107,-0.3 107,-0.2 2,-0.2 -0.601 32.5-146.2 -71.0 136.7 -56.3 103.0 139.4 68 80 A L E -B 173 0A 64 105,-3.5 105,-0.5 -2,-0.3 3,-0.1 -0.481 39.4 -61.7 -95.3 174.5 -59.2 102.6 137.1 69 81 A E E - 0 0 179 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.322 65.3-107.9 -56.0 130.3 -62.9 103.3 137.8 70 82 A D E - 0 0 67 102,-0.1 2,-0.7 -3,-0.1 102,-0.2 -0.371 24.8-123.1 -61.5 141.9 -64.1 101.1 140.8 71 83 A V E -B 171 0A 54 100,-2.8 100,-2.5 -3,-0.1 2,-0.5 -0.817 21.6-137.2 -89.9 118.3 -66.5 98.3 140.0 72 84 A Y E +B 170 0A 139 -2,-0.7 98,-0.2 98,-0.2 3,-0.1 -0.678 27.8 173.7 -75.2 119.9 -69.6 98.6 142.1 73 85 A V E - 0 0 43 96,-2.1 2,-0.3 -2,-0.5 97,-0.2 0.842 49.1 -53.0 -98.6 -44.4 -70.6 95.2 143.4 74 86 A G E -B 169 0A 23 95,-1.6 95,-2.8 2,-0.0 2,-0.3 -0.973 35.1-119.6 174.0 174.7 -73.5 95.8 145.7 75 87 A K E +B 168 0A 107 -2,-0.3 2,-0.3 93,-0.2 93,-0.2 -0.939 25.9 171.8-130.9 144.2 -75.2 97.5 148.6 76 88 A A E -B 167 0A 20 91,-2.5 91,-3.5 -2,-0.3 2,-0.3 -0.987 20.2-139.3-152.3 160.2 -76.8 96.2 151.8 77 89 A L E -B 166 0A 105 -2,-0.3 2,-0.4 89,-0.2 89,-0.2 -0.895 7.3-166.2-116.6 147.4 -78.3 97.4 155.1 78 90 A L E -B 165 0A 19 87,-2.2 87,-2.7 -2,-0.3 2,-0.5 -0.966 15.1-157.2-133.0 121.1 -77.8 96.0 158.6 79 91 A T E -B 164 0A 64 -2,-0.4 2,-0.7 85,-0.2 85,-0.3 -0.869 14.4-170.0-113.1 125.4 -80.2 97.2 161.2 80 92 A N E +B 163 0A 3 83,-2.6 83,-1.5 -2,-0.5 2,-0.8 -0.810 13.4 167.3-111.1 88.2 -79.8 97.2 165.0 81 93 A D + 0 0 131 -2,-0.7 2,-0.3 81,-0.2 80,-0.1 -0.461 49.5 104.7 -91.8 58.8 -83.2 98.1 166.6 82 94 A T S S- 0 0 53 -2,-0.8 80,-1.5 2,-0.2 81,-0.1 -0.856 80.4-118.4-138.1 160.6 -81.7 97.1 170.0 83 95 A Q S S+ 0 0 164 -2,-0.3 2,-0.3 78,-0.2 78,-0.2 0.472 95.4 41.8 -86.7 -6.7 -80.6 99.1 173.1 84 96 A Q S S- 0 0 138 76,-0.1 78,-0.2 1,-0.0 -2,-0.2 -0.863 99.8 -76.3-132.8 170.5 -77.0 97.8 172.9 85 97 A E - 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