==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 02-MAR-04 1UYJ . COMPND 2 MOLECULE: EPSILON-TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR A.R.COLE,M.GIBERT,M.POPPOFF,D.S.MOSS,R.W.TITBALL,A.K.BASAK . 819 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 561 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 313 38.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 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-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 . 6 0.7 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 . 96 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 6.6 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 3 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 6 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 . 4 0 0 7 3 6 5 0 2 0 0 4 0 1 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 6 0 0 0 0 1 1 1 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 16 A S 0 0 95 0, 0.0 214,-0.1 0, 0.0 213,-0.1 0.000 360.0 360.0 360.0 110.4 86.5 11.4 120.2 2 17 A Y + 0 0 70 212,-0.2 2,-0.2 1,-0.1 221,-0.1 0.511 360.0 147.6 113.8 121.4 89.5 10.0 118.1 3 18 A D - 0 0 40 1,-0.1 221,-1.4 218,-0.1 3,-0.1 -0.852 12.8-175.4-176.0 142.8 91.6 10.5 114.7 4 19 A N + 0 0 90 219,-0.2 2,-0.4 -2,-0.2 3,-0.1 0.632 66.2 50.3-127.1 -17.5 95.2 10.0 113.4 5 20 A V > - 0 0 44 1,-0.1 4,-1.7 220,-0.1 3,-0.4 -0.809 43.0-178.5-127.4 95.4 96.0 11.1 109.8 6 21 A D H > S+ 0 0 7 100,-1.9 4,-1.8 -2,-0.4 101,-0.2 0.902 88.3 61.5 -45.2 -41.5 94.8 14.6 108.8 7 22 A T H > S+ 0 0 45 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.871 102.3 46.8 -61.1 -41.9 96.3 13.7 105.4 8 23 A L H >4 S+ 0 0 88 -3,-0.4 3,-0.6 1,-0.2 -1,-0.2 0.868 112.7 51.8 -66.2 -35.6 93.8 10.7 104.8 9 24 A I H >< S+ 0 0 23 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.772 97.9 63.9 -72.1 -29.6 90.9 12.9 105.9 10 25 A E H 3< S+ 0 0 7 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.698 79.0 86.6 -69.7 -18.2 91.9 15.7 103.5 11 26 A K T X< + 0 0 79 -3,-0.6 3,-0.6 -4,-0.6 -1,-0.3 0.131 53.6 104.8 -69.4 20.9 91.1 13.2 100.7 12 27 A G T <> + 0 0 6 -3,-0.8 4,-0.6 1,-0.2 -1,-0.3 -0.106 57.4 83.5 -79.8 24.1 87.6 14.5 101.2 13 28 A R H 3> S+ 0 0 93 -3,-0.2 4,-2.6 2,-0.2 5,-0.3 0.722 80.1 63.8 -77.8 -42.6 88.6 16.2 97.9 14 29 A Y H <> S+ 0 0 131 -3,-0.6 4,-1.4 1,-0.2 -2,-0.2 0.834 98.5 53.6 -43.8 -38.2 87.4 12.8 96.8 15 30 A N H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.948 109.2 45.9 -65.8 -47.8 84.0 13.8 98.1 16 31 A T H X S+ 0 0 28 -4,-0.6 4,-1.1 1,-0.2 -2,-0.2 0.895 115.6 46.0 -63.0 -41.0 83.9 17.1 96.0 17 32 A K H X S+ 0 0 7 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.751 116.1 46.4 -74.1 -24.0 85.1 15.4 92.8 18 33 A Y H X S+ 0 0 98 -4,-1.4 4,-2.0 -5,-0.3 3,-0.3 0.974 112.1 45.4 -83.1 -63.5 82.6 12.5 93.2 19 34 A N H X S+ 0 0 91 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.779 111.4 59.7 -44.0 -33.0 79.5 14.3 94.1 20 35 A Y H >X S+ 0 0 13 -4,-1.1 4,-1.4 -5,-0.3 3,-0.6 0.966 107.9 40.6 -62.4 -57.7 80.5 16.7 91.2 21 36 A L H 3X S+ 0 0 0 -4,-1.4 4,-0.8 -3,-0.3 -2,-0.2 0.741 106.8 67.3 -62.4 -24.4 80.4 13.9 88.6 22 37 A K H 3< S+ 0 0 48 -4,-2.0 3,-0.4 2,-0.2 4,-0.4 0.888 101.2 46.6 -65.7 -40.3 77.3 12.5 90.2 23 38 A R H XX S+ 0 0 153 -4,-1.4 3,-1.4 -3,-0.6 4,-0.7 0.918 109.7 54.8 -62.6 -43.1 75.3 15.7 89.1 24 39 A M H 3X S+ 0 0 2 -4,-1.4 4,-2.5 1,-0.3 -1,-0.2 0.653 86.8 81.6 -66.9 -17.4 76.8 15.3 85.6 25 40 A E H 3< S+ 0 0 83 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.809 91.3 51.6 -59.1 -31.2 75.5 11.7 85.5 26 41 A K H <4 S+ 0 0 88 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.964 112.6 43.3 -65.6 -52.7 72.1 13.1 84.4 27 42 A Y H < S+ 0 0 144 -4,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.795 136.1 10.2 -66.7 -31.9 73.6 15.2 81.6 28 43 A Y >< - 0 0 89 -4,-2.5 3,-0.8 1,-0.1 -1,-0.2 -0.950 67.3-146.3-148.8 130.9 75.9 12.3 80.5 29 44 A P T 3 S+ 0 0 121 0, 0.0 3,-0.4 0, 0.0 -4,-0.1 0.752 93.9 60.7 -74.8 -25.8 75.6 8.7 81.7 30 45 A N T 3 + 0 0 85 1,-0.2 4,-0.3 2,-0.1 3,-0.2 -0.067 69.2 121.4 -89.5 32.4 79.4 7.9 81.5 31 46 A A X + 0 0 0 -3,-0.8 3,-2.1 1,-0.2 -1,-0.2 0.913 64.3 56.0 -66.2 -49.3 80.3 10.6 84.1 32 47 A M G > S+ 0 0 50 -3,-0.4 3,-1.4 1,-0.3 -1,-0.2 0.847 97.2 66.6 -54.8 -35.8 82.0 8.5 86.8 33 48 A A G 3 S+ 0 0 89 1,-0.3 3,-0.3 -3,-0.2 -1,-0.3 0.609 90.6 63.5 -61.9 -15.2 84.5 7.1 84.1 34 49 A Y G X> + 0 0 85 -3,-2.1 4,-1.4 -4,-0.3 3,-0.7 0.133 68.1 124.5 -91.6 20.7 86.1 10.6 83.7 35 50 A F T <4 S+ 0 0 47 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.786 79.2 29.1 -58.2 -36.2 87.2 10.5 87.3 36 51 A D T 34 S+ 0 0 152 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.491 107.8 68.6-106.6 -8.8 90.9 11.1 86.6 37 52 A K T <4 S+ 0 0 112 -3,-0.7 2,-0.6 -4,-0.1 -2,-0.2 0.716 92.0 76.1 -75.8 -22.0 90.6 13.2 83.4 38 53 A V S < S- 0 0 14 -4,-1.4 2,-0.2 156,-0.1 -1,-0.1 -0.828 77.1-153.4 -93.4 117.5 89.1 15.8 85.7 39 54 A T - 0 0 77 -2,-0.6 2,-0.5 153,-0.1 -2,-0.1 -0.574 3.3-152.0 -89.5 148.8 91.8 17.7 87.8 40 55 A I - 0 0 46 -2,-0.2 151,-0.2 151,-0.2 -23,-0.0 -0.965 11.0-160.1-127.7 113.5 91.0 19.3 91.1 41 56 A N E -A 190 0A 71 149,-2.7 149,-0.7 -2,-0.5 -2,-0.0 -0.828 4.3-151.5-105.8 100.0 93.3 22.2 92.0 42 57 A P E +A 189 0A 54 0, 0.0 147,-0.3 0, 0.0 3,-0.1 -0.329 15.0 178.5 -55.7 148.3 93.6 23.3 95.6 43 58 A Q E - 0 0 125 145,-2.0 2,-0.3 1,-0.4 146,-0.2 0.392 53.5 -26.6-137.0 -4.2 94.3 27.0 96.1 44 59 A G E -A 188 0A 20 144,-0.9 144,-1.6 2,-0.0 -1,-0.4 -0.972 44.8-160.3 174.1 173.0 94.5 27.5 99.9 45 60 A N E -A 187 0A 83 -2,-0.3 142,-0.2 142,-0.2 140,-0.1 -0.967 24.4-148.4-163.6 163.1 93.5 26.7 103.5 46 61 A D + 0 0 88 140,-1.9 2,-0.1 -2,-0.3 141,-0.1 -0.270 45.3 156.9-120.7 42.5 93.3 27.9 107.1 47 62 A F + 0 0 15 139,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.449 14.0 167.7 -64.5 141.7 93.9 24.4 108.5 48 63 A Y E -C 184 0B 149 136,-1.5 136,-2.7 -2,-0.1 2,-0.6 -0.953 35.7-136.5-162.3 134.1 95.3 24.7 112.0 49 64 A I E -C 183 0B 6 62,-0.4 2,-0.3 -2,-0.3 134,-0.2 -0.865 30.3-146.9 -95.4 120.6 96.0 22.4 115.0 50 65 A N E -C 182 0B 41 132,-2.0 132,-1.9 -2,-0.6 -2,-0.0 -0.621 67.3 -0.9 -92.7 146.5 94.8 24.1 118.2 51 66 A N E S- 0 0 123 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.920 76.9-160.1 43.2 62.1 96.5 23.7 121.6 52 67 A P E + 0 0 45 0, 0.0 2,-0.4 0, 0.0 129,-0.2 -0.612 18.8 171.5 -69.9 124.2 99.2 21.3 120.5 53 68 A K E -C 180 0B 42 127,-1.8 127,-2.2 -2,-0.4 2,-0.4 -0.995 27.8-141.6-135.6 140.6 100.5 19.5 123.6 54 69 A V E +C 179 0B 20 61,-0.6 2,-0.3 -2,-0.4 125,-0.2 -0.834 29.4 176.2 -99.7 145.4 102.8 16.5 124.1 55 70 A E E -C 178 0B 87 123,-1.5 123,-2.7 -2,-0.4 2,-0.7 -0.981 35.6 -82.8-153.2 163.0 101.9 14.1 126.8 56 71 A L E -C 177 0B 68 -2,-0.3 2,-1.4 121,-0.2 121,-0.3 -0.506 26.9-166.2 -83.6 107.3 103.1 10.8 128.4 57 72 A D S S- 0 0 69 119,-2.2 119,-0.4 -2,-0.7 2,-0.2 -0.696 76.4 -14.5 -86.1 86.6 101.8 7.7 126.6 58 73 A G S S- 0 0 48 -2,-1.4 0, 0.0 117,-0.1 0, 0.0 -0.387 99.5 -63.8 104.6 168.7 102.7 5.3 129.4 59 74 A E - 0 0 164 -2,-0.2 117,-0.2 1,-0.1 2,-0.1 -0.637 59.4-101.9 -83.7 150.1 104.9 5.8 132.4 60 75 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 115,-0.2 -0.447 27.9-135.6 -63.7 145.5 108.6 6.5 131.9 61 76 A S E -D 174 0B 56 113,-2.7 113,-2.0 -2,-0.1 2,-0.5 -0.882 19.4-161.1-103.2 137.8 111.2 3.7 132.4 62 77 A M E -D 173 0B 101 -2,-0.4 2,-0.4 111,-0.2 111,-0.2 -0.969 10.6-177.4-127.6 129.5 114.4 4.5 134.3 63 78 A N E -D 172 0B 73 109,-1.4 109,-3.0 -2,-0.5 2,-0.7 -0.957 30.4-128.1-118.0 139.7 117.7 2.7 134.3 64 79 A Y E -D 171 0B 159 -2,-0.4 107,-0.2 107,-0.2 3,-0.1 -0.858 37.2-178.1 -83.1 117.1 120.7 3.7 136.4 65 80 A L E - 0 0 99 105,-1.4 2,-0.3 -2,-0.7 -1,-0.2 0.965 44.5 -25.3 -91.5 -62.7 123.1 3.7 133.6 66 81 A E E - 0 0 95 104,-0.3 104,-2.3 102,-0.1 2,-0.4 -0.923 52.9-119.5-147.5 165.6 126.6 4.5 134.8 67 82 A D E -D 169 0B 82 -2,-0.3 2,-0.6 102,-0.2 102,-0.2 -0.954 22.6-141.7-112.4 136.8 128.3 6.3 137.6 68 83 A V E -D 168 0B 31 100,-2.8 100,-2.5 -2,-0.4 2,-0.1 -0.895 18.7-127.8 -93.5 120.3 130.6 9.2 136.8 69 84 A Y E +D 167 0B 133 -2,-0.6 98,-0.2 98,-0.2 3,-0.1 -0.480 33.5 171.4 -57.3 136.6 133.7 9.3 139.0 70 85 A V E - 0 0 18 96,-2.4 2,-0.3 1,-0.4 21,-0.2 0.613 53.2 -25.1-122.6 -33.2 133.9 12.8 140.5 71 86 A G E -D 166 0B 5 95,-1.5 95,-2.0 19,-0.1 -1,-0.4 -0.987 43.5-142.7-177.9 163.2 136.8 12.6 143.0 72 87 A K E +D 165 0B 107 -2,-0.3 2,-0.3 93,-0.2 93,-0.2 -0.950 17.3 174.4-137.6 157.6 139.0 10.7 145.4 73 88 A A E -D 164 0B 8 91,-1.4 91,-3.6 -2,-0.3 2,-0.4 -0.885 21.8-152.3-165.3 130.7 140.6 11.3 148.7 74 89 A L E -D 163 0B 107 -2,-0.3 2,-0.4 89,-0.2 89,-0.2 -0.873 18.9-167.1 -94.5 140.3 142.6 9.6 151.4 75 90 A L E -D 162 0B 19 87,-2.0 87,-1.9 -2,-0.4 2,-0.5 -0.994 7.1-155.9-131.8 126.6 142.0 11.1 154.9 76 91 A T E -D 161 0B 72 -2,-0.4 2,-0.6 85,-0.2 85,-0.2 -0.905 15.9-173.7-121.0 122.8 144.4 10.1 157.6 77 92 A N E +D 160 0B 2 83,-1.9 82,-0.9 -2,-0.5 83,-0.9 -0.806 12.9 165.8-117.0 81.9 143.8 10.0 161.4 78 93 A D + 0 0 126 -2,-0.6 2,-0.3 81,-0.2 80,-0.1 -0.521 47.9 104.3 -91.5 58.6 147.1 9.2 163.1 79 94 A T S S- 0 0 54 -2,-0.8 80,-1.3 2,-0.2 81,-0.1 -0.799 81.3-118.7-126.3 168.3 145.8 10.3 166.5 80 95 A Q S S+ 0 0 152 -2,-0.3 2,-0.3 78,-0.2 78,-0.2 0.253 95.3 47.2 -91.4 10.0 144.6 8.3 169.5 81 96 A Q S S- 0 0 129 76,-0.1 2,-0.3 75,-0.1 -2,-0.2 -0.883 98.4 -78.0-142.9 175.3 141.1 9.7 169.2 82 97 A E - 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