==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-DEC-01 1KN9 . COMPND 2 MOLECULE: SIGNAL PEPTIDASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR M.PAETZEL,R.E.DALBEY,N.C.J.STRYNADKA . 904 15 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42346.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 574 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 312 34.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 111 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 4 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 . 5 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 . 7 7 17 6 12 3 8 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 . 4 4 2 0 3 5 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 76 A V 0 0 99 0, 0.0 35,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 52.1 68.9 23.2 120.0 2 77 A R E -A 35 0A 58 33,-0.2 2,-0.4 41,-0.0 33,-0.2 -0.974 360.0-169.5-130.9 144.7 68.2 23.2 116.3 3 78 A S E -A 34 0A 35 31,-2.3 31,-1.9 -2,-0.4 2,-0.4 -0.992 7.0-153.5-136.6 143.5 70.2 22.1 113.3 4 79 A F - 0 0 99 -2,-0.4 2,-0.5 29,-0.2 29,-0.1 -0.909 12.5-137.1-117.8 143.0 69.8 22.4 109.5 5 80 A I - 0 0 98 27,-0.4 25,-2.6 -2,-0.4 2,-0.4 -0.836 20.3-165.7 -99.5 131.5 71.1 20.2 106.7 6 81 A Y E -C 29 0B 37 -2,-0.5 23,-0.2 23,-0.2 21,-0.0 -0.930 6.9-177.9-119.0 140.7 72.7 21.7 103.7 7 82 A E E -C 28 0B 63 21,-2.1 21,-1.2 -2,-0.4 19,-0.0 -0.994 25.6-120.1-141.5 134.3 73.5 20.2 100.3 8 83 A P E -C 27 0B 72 0, 0.0 2,-0.3 0, 0.0 19,-0.2 -0.269 28.1-163.7 -65.0 155.2 75.2 21.5 97.1 9 84 A F E -C 26 0B 26 17,-2.0 17,-3.1 2,-0.0 2,-0.3 -0.958 13.0-139.7-149.7 126.6 73.3 21.5 93.9 10 85 A Q E -C 25 0B 83 -2,-0.3 15,-0.2 15,-0.2 14,-0.1 -0.658 19.8-131.4 -84.5 135.3 74.4 21.9 90.3 11 86 A I + 0 0 3 13,-3.0 12,-1.9 -2,-0.3 13,-0.2 -0.793 30.2 173.5 -90.2 108.6 72.2 24.0 88.0 12 87 A P + 0 0 88 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.825 55.0 40.4 -85.0 -35.5 71.7 21.9 84.8 13 88 A S - 0 0 53 8,-0.1 3,-0.4 9,-0.0 10,-0.1 -0.640 69.7-125.7-116.3 173.6 69.2 24.0 82.9 14 89 A G S > S+ 0 0 4 -2,-0.2 3,-1.6 1,-0.2 184,-0.1 0.186 76.1 111.1 -98.9 16.5 68.4 27.6 82.0 15 90 A S T 3 S+ 0 0 7 1,-0.3 180,-2.3 179,-0.1 -1,-0.2 0.673 79.8 48.8 -65.0 -15.6 64.8 27.4 83.2 16 91 A M T >> S+ 0 0 1 -3,-0.4 4,-2.2 178,-0.2 3,-0.8 0.249 92.0 168.6-108.9 13.7 65.7 29.8 86.1 17 92 A M T <4 + 0 0 6 -3,-1.6 142,-0.6 1,-0.3 179,-0.1 -0.336 55.4 19.6 -64.3 150.4 67.5 32.5 84.1 18 93 A P T 34 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 218,-0.1 -0.985 128.8 48.6 -89.5 -0.5 68.5 35.2 84.7 19 94 A T T <4 S+ 0 0 0 -3,-0.8 2,-0.4 138,-0.3 217,-0.4 0.920 125.6 19.6 -61.4 -48.9 68.3 34.4 88.4 20 95 A L S < S- 0 0 0 -4,-2.2 2,-0.3 215,-0.1 -4,-0.2 -0.977 78.2-157.5-125.5 138.7 70.2 31.1 88.2 21 96 A L > - 0 0 9 -2,-0.4 3,-2.5 -4,-0.1 -10,-0.2 -0.808 32.2 -90.0-117.9 159.2 72.4 30.1 85.2 22 97 A I T 3 S+ 0 0 84 -2,-0.3 3,-0.1 1,-0.3 -8,-0.1 -0.444 118.5 35.3 -60.8 129.8 73.6 26.9 83.7 23 98 A G T 3 S+ 0 0 12 -12,-1.9 201,-2.1 1,-0.4 -1,-0.3 0.177 86.6 130.5 107.4 -18.9 76.9 26.3 85.5 24 99 A D E < - D 0 223B 0 -3,-2.5 -13,-3.0 199,-0.3 2,-0.5 -0.464 43.4-156.5 -71.4 141.2 75.8 27.7 88.9 25 100 A F E -CD 10 222B 85 197,-4.1 196,-2.3 -15,-0.2 197,-1.8 -0.976 20.8-170.4-118.8 114.8 76.4 25.6 92.0 26 101 A I E -CD 9 220B 0 -17,-3.1 -17,-2.0 -2,-0.5 2,-0.4 -0.647 24.3-121.9-111.4 165.7 74.0 26.5 94.8 27 102 A L E -CD 8 219B 2 192,-2.5 191,-2.7 -2,-0.2 192,-1.0 -0.839 27.2-161.7 -99.5 135.9 73.5 25.8 98.5 28 103 A V E -CD 7 217B 1 -21,-1.2 -21,-2.1 -2,-0.4 2,-0.6 -0.982 8.2-149.8-123.8 131.9 70.2 24.2 99.4 29 104 A E E -CD 6 216B 32 187,-3.3 187,-2.9 -2,-0.4 -23,-0.2 -0.893 23.4-127.9-100.8 121.5 68.8 24.2 102.9 30 105 A K E - D 0 215B 57 -25,-2.6 185,-0.3 -2,-0.6 -25,-0.2 -0.359 4.5-139.1 -66.2 145.7 66.5 21.2 103.6 31 106 A F S S+ 0 0 18 183,-1.5 17,-2.2 17,-0.1 2,-0.7 0.866 88.1 78.9 -72.6 -36.6 63.1 22.0 105.0 32 107 A A E + B 0 47A 50 182,-0.4 -27,-0.4 15,-0.3 2,-0.3 -0.639 66.8 171.1 -77.6 113.2 63.4 19.0 107.4 33 108 A Y E - B 0 46A 78 13,-2.9 13,-2.0 -2,-0.7 2,-0.3 -0.862 31.7-107.1-124.1 158.8 65.6 20.1 110.3 34 109 A G E -AB 3 45A 33 -31,-1.9 -31,-2.3 -2,-0.3 2,-0.5 -0.620 19.5-163.1 -89.1 142.0 66.5 18.6 113.7 35 110 A I E -AB 2 44A 38 9,-2.9 9,-3.0 -2,-0.3 2,-1.0 -0.854 3.4-166.0-124.6 93.4 65.2 19.9 117.0 36 111 A K - 0 0 29 -35,-2.2 7,-0.2 -2,-0.5 6,-0.1 -0.710 21.3-144.0 -81.4 103.4 67.3 18.7 120.0 37 112 A D - 0 0 45 -2,-1.0 -1,-0.1 5,-0.3 0, 0.0 0.245 9.2-119.2 -53.7-174.1 65.0 19.4 123.0 38 113 A P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.890 100.7 38.2 -95.7 -73.4 66.4 20.6 126.4 39 114 A I S S+ 0 0 84 2,-0.1 2,-0.2 0, 0.0 -2,-0.0 0.915 126.9 36.7 -45.0 -53.4 65.6 18.2 129.2 40 115 A Y S S- 0 0 48 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.642 80.0-134.3 -98.9 160.7 66.1 15.3 126.9 41 116 A Q + 0 0 81 -2,-0.2 -2,-0.1 -5,-0.1 -1,-0.1 0.142 58.7 135.8 -99.9 19.6 68.8 15.1 124.2 42 117 A K - 0 0 50 1,-0.1 2,-0.4 -6,-0.1 -5,-0.3 0.044 55.2-127.5 -59.8 172.9 66.5 13.8 121.6 43 118 A T - 0 0 66 -7,-0.2 -7,-0.3 -9,-0.1 -1,-0.1 -0.767 21.9-158.8-128.5 86.2 66.3 15.0 118.0 44 119 A L E -B 35 0A 38 -9,-3.0 -9,-2.9 -2,-0.4 2,-0.8 -0.363 15.5-131.6 -63.9 141.9 62.8 16.0 117.0 45 120 A I E +B 34 0A 100 -11,-0.2 2,-0.3 -2,-0.0 -11,-0.2 -0.829 32.7 173.0-102.2 100.9 62.2 16.0 113.3 46 121 A E E -B 33 0A 31 -13,-2.0 -13,-2.9 -2,-0.8 2,-0.5 -0.834 19.0-145.6-107.1 144.1 60.4 19.2 112.3 47 122 A T E -B 32 0A 76 -2,-0.3 -15,-0.3 -15,-0.2 2,-0.1 -0.924 6.8-150.7-115.2 130.3 59.7 20.3 108.7 48 123 A G - 0 0 21 -17,-2.2 -17,-0.1 -2,-0.5 -16,-0.0 -0.358 14.7-132.2 -87.0 173.0 59.7 23.9 107.4 49 124 A H - 0 0 109 -2,-0.1 2,-0.0 -18,-0.1 -1,-0.0 -0.979 18.7-105.5-132.7 143.4 57.6 25.1 104.5 50 125 A P - 0 0 7 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.334 30.4-139.9 -64.1 140.6 58.4 27.2 101.4 51 126 A K > - 0 0 153 1,-0.1 3,-2.0 24,-0.0 21,-0.2 -0.557 41.5 -77.7 -92.4 164.2 57.2 30.8 101.4 52 127 A R T 3 S+ 0 0 55 1,-0.3 21,-0.2 -2,-0.2 -1,-0.1 -0.428 121.3 23.0 -65.2 133.6 55.8 32.3 98.2 53 128 A G T 3 S+ 0 0 3 19,-3.9 -1,-0.3 1,-0.3 20,-0.1 0.300 87.0 142.5 94.8 -10.2 58.6 33.2 95.9 54 129 A D < - 0 0 32 -3,-2.0 18,-3.6 18,-0.4 2,-0.7 -0.356 54.6-124.1 -65.7 144.2 61.1 30.8 97.3 55 130 A I E -E 71 0B 12 162,-0.3 162,-2.6 16,-0.3 2,-0.4 -0.817 40.2-165.5 -89.4 119.1 63.4 29.1 94.9 56 131 A V E -EF 70 216B 0 14,-3.0 14,-1.9 -2,-0.7 2,-0.5 -0.901 25.5-150.0-121.5 136.5 62.9 25.4 95.6 57 132 A V E +EF 69 215B 0 158,-2.6 157,-2.8 -2,-0.4 158,-1.1 -0.820 36.8 159.5 -94.3 133.2 64.6 22.1 94.8 58 133 A F E -EF 68 213B 0 10,-2.5 10,-2.9 -2,-0.5 2,-0.6 -0.958 44.1 -95.3-150.1 167.0 62.1 19.2 94.5 59 134 A K E -E 67 0B 86 153,-2.9 8,-0.2 -2,-0.3 6,-0.1 -0.775 45.7-111.2 -91.5 124.8 61.6 15.8 93.1 60 135 A Y - 0 0 37 6,-2.2 3,-0.4 -2,-0.6 6,-0.2 -0.350 25.5-143.2 -53.5 113.2 59.8 15.7 89.8 61 136 A P S S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 147,-0.1 0.883 98.7 47.5 -48.6 -48.3 56.4 14.1 90.7 62 137 A E S S+ 0 0 125 1,-0.3 -2,-0.1 143,-0.1 -3,-0.0 0.849 135.3 13.6 -64.8 -33.7 56.1 12.1 87.4 63 138 A D > - 0 0 57 -3,-0.4 3,-1.8 3,-0.1 -3,-0.4 -0.685 67.1-176.7-145.1 84.6 59.7 10.9 87.9 64 139 A P T 3 S+ 0 0 58 0, 0.0 -2,-0.1 0, 0.0 -4,-0.1 0.479 72.1 85.8 -62.5 -2.3 61.1 11.5 91.4 65 140 A K T 3 S+ 0 0 150 -5,-0.1 2,-0.4 -6,-0.1 -6,-0.0 0.645 87.3 61.3 -72.8 -14.5 64.5 10.1 90.3 66 141 A L S < S- 0 0 85 -3,-1.8 -6,-2.2 -6,-0.2 2,-0.5 -0.920 77.1-139.7-117.4 141.2 65.3 13.6 89.0 67 142 A D E -E 59 0B 64 -2,-0.4 2,-0.3 -8,-0.2 -8,-0.2 -0.844 19.6-171.6-101.3 131.6 65.6 16.8 90.9 68 143 A Y E -E 58 0B 76 -10,-2.9 -10,-2.5 -2,-0.5 2,-0.4 -0.730 12.9-145.3-114.5 166.4 64.3 20.1 89.5 69 144 A I E +E 57 0B 6 -2,-0.3 2,-0.2 -12,-0.2 -12,-0.2 -0.990 32.6 143.0-136.5 123.3 64.6 23.7 90.7 70 145 A K E -E 56 0B 5 -14,-1.9 -14,-3.0 -2,-0.4 2,-0.5 -0.805 50.9 -91.5-143.2-177.9 61.8 26.2 90.2 71 146 A R E -EG 55 192B 9 121,-2.4 121,-2.3 -16,-0.3 2,-1.2 -0.905 34.8-125.0-105.9 131.6 60.3 29.2 92.1 72 147 A A E + G 0 191B 0 -18,-3.6 -19,-3.9 -2,-0.5 -18,-0.4 -0.666 45.1 158.3 -78.4 102.3 57.3 28.4 94.4 73 148 A V E + 0 0 0 117,-1.8 2,-0.4 -2,-1.2 -1,-0.2 0.727 58.1 49.8 -96.9 -29.5 54.8 30.8 93.0 74 149 A G E - G 0 190B 0 116,-2.0 116,-2.1 -3,-0.2 -1,-0.2 -0.961 65.7-165.1-120.7 130.4 51.6 29.1 94.2 75 150 A L > - 0 0 34 -2,-0.4 3,-2.7 114,-0.2 109,-0.3 -0.655 46.3 -66.0-105.0 162.0 50.9 27.9 97.8 76 151 A P T 3 S+ 0 0 50 0, 0.0 18,-0.4 0, 0.0 -1,-0.2 -0.165 125.8 18.0 -47.9 134.9 48.2 25.6 99.0 77 152 A G T 3 S+ 0 0 10 107,-3.4 18,-3.0 1,-0.3 20,-0.1 0.113 92.4 135.4 88.9 -24.2 44.8 27.2 98.5 78 153 A D < - 0 0 2 -3,-2.7 106,-2.9 16,-0.2 2,-0.7 -0.298 51.5-141.4 -60.3 137.7 46.1 29.8 96.0 79 154 A K E -IJ 92 183C 62 13,-2.2 13,-2.8 104,-0.2 2,-0.5 -0.925 25.9-163.9 -99.6 115.9 44.1 30.3 92.9 80 155 A V E +IJ 91 182C 0 102,-3.7 102,-2.9 -2,-0.7 2,-0.4 -0.905 12.7 178.8-109.3 125.2 46.7 30.7 90.2 81 156 A T E -IJ 90 181C 37 9,-2.7 9,-2.2 -2,-0.5 2,-0.5 -0.985 9.1-162.7-127.2 133.5 45.9 32.2 86.8 82 157 A Y E -I 89 0C 2 98,-2.6 7,-0.2 -2,-0.4 3,-0.1 -0.963 9.0-153.1-118.3 125.2 48.4 32.7 84.0 83 158 A D E >> -I 88 0C 70 5,-2.5 4,-1.8 -2,-0.5 5,-1.1 -0.858 6.4-165.1 -94.8 111.3 47.7 35.0 81.1 84 159 A P T 45S+ 0 0 20 0, 0.0 82,-0.3 0, 0.0 -1,-0.1 0.680 85.6 53.5 -70.3 -19.6 49.8 33.6 78.2 85 160 A V T 45S+ 0 0 65 1,-0.1 -2,-0.0 80,-0.1 -3,-0.0 0.948 122.4 25.7 -79.7 -55.4 49.4 36.8 76.1 86 161 A S T 45S- 0 0 31 2,-0.1 -1,-0.1 277,-0.0 3,-0.1 0.682 99.5-137.2 -80.5 -17.9 50.6 39.3 78.8 87 162 A K T <5 + 0 0 7 -4,-1.8 2,-0.3 1,-0.2 109,-0.1 0.937 57.3 135.7 58.5 48.3 52.7 36.5 80.4 88 163 A E E < -I 83 0C 68 -5,-1.1 -5,-2.5 17,-0.0 2,-0.3 -0.926 48.9-129.8-127.8 152.1 51.6 37.7 83.8 89 164 A L E -I 82 0C 1 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.750 9.8-163.9-104.3 149.1 50.4 35.9 86.9 90 165 A T E -I 81 0C 67 -9,-2.2 -9,-2.7 -2,-0.3 2,-0.5 -1.000 12.5-169.8-129.3 125.4 47.3 36.5 89.1 91 166 A I E -I 80 0C 1 10,-0.4 10,-2.3 -2,-0.4 -11,-0.2 -0.959 9.7-175.8-126.0 118.2 47.3 34.9 92.5 92 167 A Q E -I 79 0C 60 -13,-2.8 -13,-2.2 -2,-0.5 3,-0.4 -0.891 20.6-143.6-114.6 103.6 44.3 34.7 94.8 93 168 A P S S+ 0 0 45 0, 0.0 -15,-0.2 0, 0.0 -16,-0.1 -0.203 75.0 18.1 -62.6 153.1 45.1 33.2 98.3 94 169 A G S S+ 0 0 71 -18,-0.4 -16,-0.2 1,-0.1 3,-0.1 0.883 77.4 127.8 54.2 50.1 42.6 30.9 100.1 95 170 A C + 0 0 41 -18,-3.0 -1,-0.1 -3,-0.4 -18,-0.1 -0.100 14.6 142.2-123.4 34.7 40.3 30.0 97.2 96 171 A S 0 0 88 1,-0.3 -1,-0.1 -20,-0.1 -19,-0.1 0.641 360.0 360.0 -50.7 -17.6 40.4 26.2 97.6 97 172 A S 0 0 148 -3,-0.1 -1,-0.3 -20,-0.1 -2,-0.1 0.462 360.0 360.0-116.1 360.0 36.8 26.1 96.6 98 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 99 178 A N 0 0 92 0, 0.0 -4,-0.0 0, 0.0 -8,-0.0 0.000 360.0 360.0 360.0 118.8 41.6 38.5 98.2 100 179 A A - 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