==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 13-MAY-11 3S04 . COMPND 2 MOLECULE: SIGNAL PEPTIDASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.PAETZEL,C.LUO . 444 10 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 34.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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-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 . 44 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 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 . 2 2 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 5 9 2 7 0 5 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 . 3 2 0 0 0 0 2 0 0 0 1 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 80 A F 0 0 109 0, 0.0 2,-0.4 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 131.8 -5.8 -17.5 65.2 2 81 A I - 0 0 124 25,-0.3 25,-2.4 26,-0.1 2,-0.4 -0.812 360.0-155.5 -98.7 137.7 -3.0 -19.0 63.1 3 82 A Y E -A 26 0A 108 -2,-0.4 23,-0.2 23,-0.2 189,-0.0 -0.950 8.8-170.4-122.6 126.9 -0.2 -16.7 61.9 4 83 A E E -A 25 0A 51 21,-2.5 21,-2.5 -2,-0.4 2,-0.2 -0.953 19.2-132.3-117.8 130.0 2.1 -17.1 58.9 5 84 A P E -A 24 0A 33 0, 0.0 445,-0.6 0, 0.0 444,-0.6 -0.544 25.2-176.9 -78.6 145.7 5.3 -15.1 58.2 6 85 A F E -Ab 23 450A 0 17,-2.6 17,-3.7 -2,-0.2 2,-0.3 -0.996 17.8-139.7-139.8 142.2 5.8 -13.6 54.7 7 86 A Q E -Ab 22 451A 63 443,-2.4 445,-1.3 -2,-0.3 15,-0.2 -0.779 16.5-133.2 -98.5 149.6 8.7 -11.6 53.2 8 87 A I + 0 0 4 13,-2.8 12,-2.7 -2,-0.3 13,-0.4 -0.882 30.3 167.0-105.4 102.6 8.1 -8.6 50.9 9 88 A P + 0 0 49 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.663 59.2 55.0 -86.9 -18.6 10.3 -8.9 47.8 10 89 A S S S- 0 0 35 442,-0.5 3,-0.3 8,-0.1 10,-0.1 -0.660 74.2-127.2-117.4 169.4 8.5 -6.2 45.7 11 90 A G S > S+ 0 0 6 -2,-0.2 3,-1.8 1,-0.2 164,-0.1 0.178 71.8 115.7 -97.2 16.2 7.5 -2.5 45.9 12 91 A S T 3 S+ 0 0 7 1,-0.3 160,-2.0 159,-0.1 159,-0.3 0.671 80.6 42.2 -65.1 -18.6 3.9 -3.1 45.0 13 92 A M T >> S+ 0 0 1 4,-0.3 4,-1.7 -3,-0.3 3,-1.2 0.170 92.5 173.9-114.8 15.2 2.7 -1.9 48.5 14 93 A M T <4 + 0 0 5 -3,-1.8 122,-0.5 1,-0.3 159,-0.2 -0.411 58.4 18.5 -62.3 142.5 5.0 1.1 49.0 15 94 A P T 34 S+ 0 0 5 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.981 127.8 50.4 -93.7 5.6 5.0 3.2 51.1 16 95 A T T <4 S+ 0 0 2 -3,-1.2 2,-0.4 1,-0.3 197,-0.3 0.864 125.5 21.5 -71.6 -38.2 3.0 1.0 53.5 17 96 A L S < S- 0 0 0 -4,-1.7 -4,-0.3 -6,-0.1 -1,-0.3 -0.994 78.5-157.6-134.2 125.8 5.3 -2.0 53.0 18 97 A L > - 0 0 11 -2,-0.4 3,-1.8 -3,-0.2 -10,-0.2 -0.653 34.5 -87.1-102.3 157.6 8.8 -1.7 51.7 19 98 A I T 3 S+ 0 0 77 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.442 116.8 35.9 -56.9 126.7 11.1 -4.3 50.0 20 99 A G T 3 S+ 0 0 18 -12,-2.7 181,-3.0 1,-0.4 2,-0.3 0.342 84.3 133.3 105.2 -4.7 12.8 -6.2 52.8 21 100 A D E < - C 0 200A 0 -3,-1.8 -13,-2.8 -13,-0.4 2,-0.5 -0.581 43.8-153.1 -78.2 139.6 9.9 -6.3 55.3 22 101 A F E -AC 7 199A 30 177,-3.5 176,-1.5 -2,-0.3 177,-1.4 -0.979 23.3-171.1-109.2 120.6 9.0 -9.5 57.0 23 102 A I E -AC 6 197A 0 -17,-3.7 -17,-2.6 -2,-0.5 2,-0.4 -0.685 21.7-130.6-111.3 163.0 5.3 -9.5 57.9 24 103 A L E -AC 5 196A 50 172,-2.3 171,-2.4 -2,-0.2 172,-1.1 -0.957 20.7-155.2-108.6 135.3 3.0 -11.6 59.9 25 104 A V E -AC 4 194A 0 -21,-2.5 -21,-2.5 -2,-0.4 2,-0.7 -0.944 7.6-145.0-114.4 128.7 -0.3 -12.7 58.3 26 105 A E E -AC 3 193A 48 167,-3.7 167,-2.8 -2,-0.5 -23,-0.2 -0.829 25.2-133.8 -90.3 112.6 -3.4 -13.6 60.3 27 106 A K E - C 0 192A 89 -25,-2.4 -25,-0.3 -2,-0.7 165,-0.3 -0.375 22.3-111.4 -71.1 144.3 -5.3 -16.4 58.5 28 107 A F 0 0 64 163,-0.8 -26,-0.1 1,-0.1 -1,-0.1 -0.002 360.0 360.0 -69.1 174.2 -9.1 -16.1 58.1 29 108 A A 0 0 149 -28,-0.0 -1,-0.1 163,-0.0 -2,-0.0 0.521 360.0 360.0-131.3 360.0 -11.8 -18.2 59.7 30 ! 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 31 125 A H 0 0 156 0, 0.0 2,-0.3 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 141.6 -13.7 -12.3 55.8 32 126 A P - 0 0 8 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.608 360.0-142.4 -81.1 140.1 -11.7 -9.2 54.8 33 127 A K > - 0 0 158 -2,-0.3 3,-1.8 1,-0.1 21,-0.2 -0.496 41.9 -73.9 -88.9 165.1 -13.1 -5.7 55.3 34 128 A R T 3 S+ 0 0 51 1,-0.2 21,-0.2 -2,-0.2 -1,-0.1 -0.391 121.6 24.1 -61.3 135.0 -12.6 -2.9 52.7 35 129 A G T 3 S+ 0 0 4 19,-3.4 -1,-0.2 1,-0.3 20,-0.1 0.326 87.1 145.1 92.1 -6.9 -9.1 -1.6 52.9 36 130 A D < - 0 0 34 -3,-1.8 18,-3.4 18,-0.4 2,-0.7 -0.376 54.3-126.1 -64.7 137.0 -7.6 -4.8 54.4 37 131 A I E -D 53 0A 15 157,-0.3 157,-2.4 16,-0.2 2,-0.4 -0.809 41.2-170.6 -80.9 116.5 -4.1 -5.7 53.4 38 132 A V E -DE 52 193A 0 14,-2.8 14,-2.1 -2,-0.7 2,-0.4 -0.949 23.0-152.9-123.0 131.6 -4.7 -9.2 52.2 39 133 A V E +DE 51 192A 0 153,-2.9 152,-2.7 -2,-0.4 153,-1.8 -0.846 31.3 163.8 -95.1 138.9 -2.4 -12.0 51.2 40 134 A F E -DE 50 190A 0 10,-2.6 10,-3.2 -2,-0.4 2,-0.5 -0.980 43.9 -90.7-152.6 160.1 -3.9 -14.5 48.7 41 135 A K E -D 49 0A 90 148,-3.3 8,-0.2 -2,-0.3 6,-0.1 -0.650 52.3-110.3 -75.3 123.1 -3.1 -17.3 46.2 42 136 A Y - 0 0 38 6,-3.2 6,-0.3 -2,-0.5 3,-0.2 -0.353 24.1-140.5 -58.7 122.5 -2.5 -15.8 42.7 43 137 A P S S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 142,-0.0 0.903 98.1 45.1 -58.0 -51.1 -5.5 -16.8 40.5 44 138 A E S S+ 0 0 120 1,-0.3 -2,-0.1 138,-0.1 -3,-0.0 0.823 135.2 17.7 -61.0 -34.0 -3.7 -17.5 37.2 45 139 A D > - 0 0 83 -3,-0.2 3,-2.2 3,-0.1 -3,-0.4 -0.735 67.9-173.1-142.1 88.3 -1.0 -19.4 39.2 46 140 A P T 3 S+ 0 0 70 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 0.564 79.1 77.8 -63.5 -9.4 -2.2 -20.5 42.7 47 141 A K T 3 S+ 0 0 68 -6,-0.1 2,-0.4 -5,-0.1 -6,-0.0 0.562 88.8 70.8 -70.2 -10.6 1.4 -21.7 43.5 48 142 A L S < S- 0 0 55 -3,-2.2 -6,-3.2 -6,-0.3 2,-0.4 -0.894 75.8-139.4-113.8 141.1 2.3 -18.0 44.0 49 143 A D E -D 41 0A 37 402,-0.4 404,-2.8 -2,-0.4 2,-0.3 -0.837 17.7-168.6-102.2 132.6 1.3 -15.7 46.8 50 144 A Y E -D 40 0A 27 -10,-3.2 -10,-2.6 -2,-0.4 2,-0.5 -0.886 10.1-153.2-117.1 149.4 0.3 -12.0 46.3 51 145 A I E +D 39 0A 0 402,-2.6 2,-0.2 -2,-0.3 -12,-0.2 -0.952 32.5 138.9-126.1 114.8 -0.2 -9.2 48.7 52 146 A K E -D 38 0A 2 -14,-2.1 -14,-2.8 -2,-0.5 2,-0.5 -0.828 53.2 -88.6-140.0 176.2 -2.6 -6.3 47.9 53 147 A R E -DF 37 169A 9 116,-2.2 116,-2.0 -2,-0.2 2,-1.2 -0.819 35.3-125.6 -95.2 127.1 -5.2 -4.1 49.4 54 148 A A E + F 0 168A 0 -18,-3.4 -19,-3.4 -2,-0.5 -18,-0.4 -0.589 45.7 159.5 -70.7 97.7 -8.8 -5.4 49.3 55 149 A V E + 0 0 0 112,-2.6 2,-0.4 -2,-1.2 -1,-0.2 0.766 57.1 46.7 -97.5 -30.9 -10.3 -2.3 47.6 56 150 A G E - F 0 167A 0 111,-2.0 111,-2.2 -3,-0.2 -1,-0.2 -0.963 67.6-161.0-120.4 131.9 -13.5 -3.9 46.2 57 151 A L > - 0 0 34 -2,-0.4 3,-2.5 109,-0.2 104,-0.2 -0.669 46.3 -66.5-102.9 158.4 -15.9 -6.1 48.1 58 152 A P T 3 S+ 0 0 50 0, 0.0 18,-0.3 0, 0.0 -1,-0.1 -0.188 126.2 20.1 -44.2 123.9 -18.5 -8.6 46.6 59 153 A G T 3 S+ 0 0 7 102,-3.2 18,-2.4 1,-0.3 2,-0.3 0.387 91.3 140.5 93.9 -1.1 -21.1 -6.4 44.9 60 154 A D < - 0 0 3 -3,-2.5 101,-2.6 16,-0.2 2,-0.9 -0.584 48.6-142.7 -81.6 132.7 -19.0 -3.2 44.5 61 155 A K E -HI 74 160B 58 13,-3.0 13,-1.9 -2,-0.3 2,-0.5 -0.833 28.0-166.7 -83.9 106.1 -19.1 -1.0 41.4 62 156 A V E +HI 73 159B 0 97,-3.6 97,-3.0 -2,-0.9 2,-0.4 -0.861 11.0 179.3-102.4 124.3 -15.4 -0.1 41.1 63 157 A T E -HI 72 158B 40 9,-2.5 9,-2.3 -2,-0.5 2,-0.5 -0.992 7.7-165.1-124.3 128.5 -14.3 2.8 38.8 64 158 A Y E -H 71 0B 3 93,-2.2 7,-0.2 -2,-0.4 3,-0.1 -0.952 10.5-152.7-116.1 119.1 -10.7 3.9 38.3 65 159 A D E >> -H 70 0B 75 5,-2.5 4,-1.7 -2,-0.5 5,-1.1 -0.813 7.6-164.2 -86.8 111.1 -9.8 7.2 36.7 66 160 A P T 45S+ 0 0 21 0, 0.0 77,-0.3 0, 0.0 -1,-0.2 0.676 84.7 54.5 -73.4 -18.8 -6.3 6.6 35.2 67 161 A V T 45S+ 0 0 101 1,-0.1 -2,-0.0 75,-0.1 76,-0.0 0.970 121.9 25.5 -76.2 -58.2 -5.7 10.3 34.7 68 162 A S T 45S- 0 0 45 2,-0.1 -1,-0.1 1,-0.0 3,-0.1 0.589 99.3-135.1 -81.0 -12.7 -6.4 11.5 38.3 69 163 A K T <5 + 0 0 18 -4,-1.7 2,-0.4 1,-0.2 104,-0.1 0.903 58.7 135.7 57.8 44.7 -5.5 8.0 39.7 70 164 A E E < -H 65 0B 40 -5,-1.1 -5,-2.5 19,-0.0 2,-0.3 -0.946 47.5-133.5-126.1 145.4 -8.5 8.1 41.9 71 165 A L E -H 64 0B 4 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.668 8.4-161.6 -98.6 151.7 -11.2 5.5 42.7 72 166 A T E -H 63 0B 60 -9,-2.3 -9,-2.5 -2,-0.3 2,-0.4 -0.999 13.5-167.1-127.9 127.9 -15.0 5.7 42.9 73 167 A I E -H 62 0B 1 12,-0.4 12,-3.1 -2,-0.4 -11,-0.2 -0.970 15.1-176.8-124.1 129.1 -16.9 2.9 44.7 74 168 A Q E > -H 61 0B 41 -13,-1.9 -13,-3.0 -2,-0.4 3,-0.6 -0.936 25.7-147.9-120.9 104.2 -20.6 2.2 44.7 75 169 A P T 3 + 0 0 37 0, 0.0 8,-0.5 0, 0.0 7,-0.3 -0.236 66.9 13.6 -76.3 158.4 -21.4 -0.7 47.1 76 170 A G T 3 S+ 0 0 45 -18,-0.3 2,-0.6 1,-0.2 -16,-0.2 0.719 85.9 136.3 55.9 30.5 -24.0 -3.4 46.9 77 171 A a < 0 0 19 -18,-2.4 -1,-0.2 -3,-0.6 4,-0.1 -0.911 360.0 360.0-117.6 107.9 -24.8 -2.7 43.3 78 172 A S 0 0 135 -2,-0.6 -18,-0.0 -3,-0.1 -17,-0.0 -0.936 360.0 360.0-128.1 360.0 -25.3 -5.7 40.9 79 ! 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 80 176 A A 0 0 152 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 51.9 -28.8 2.3 38.0 81 177 A a - 0 0 35 1,-0.1 3,-0.1 -4,-0.1 -4,-0.1 -0.244 360.0-139.6 -68.5 156.5 -26.7 1.9 41.3 82 178 A E - 0 0 150 -7,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.951 66.8 -2.4 -87.1 -54.4 -28.2 2.7 44.7 83 179 A N - 0 0 123 -8,-0.5 2,-0.4 0, 0.0 -1,-0.2 -0.882 56.7-123.0-143.5 171.3 -25.5 4.5 46.7 84 180 A A - 0 0 33 -2,-0.3 -10,-0.2 -10,-0.2 220,-0.0 -0.938 22.7-125.9-119.7 135.3 -21.9 5.8 46.8 85 181 A L - 0 0 18 -12,-3.1 2,-0.5 -2,-0.4 -12,-0.4 -0.615 33.9-109.3 -80.0 130.4 -19.1 5.1 49.2 86 182 A P + 0 0 77 0, 0.0 43,-2.5 0, 0.0 2,-0.4 -0.449 47.5 172.8 -62.1 112.6 -17.4 8.1 50.9 87 183 A V E -J 128 0C 3 -2,-0.5 215,-1.7 41,-0.2 2,-0.3 -0.992 6.7-176.0-127.6 130.6 -13.9 8.3 49.3 88 184 A T E -JK 127 301C 36 39,-1.5 39,-2.6 -2,-0.4 2,-0.4 -0.930 11.2-157.4-129.7 152.3 -11.5 11.2 49.9 89 185 A Y E -JK 126 300C 6 211,-2.6 211,-2.5 -2,-0.3 37,-0.2 -0.988 12.1-142.9-131.1 136.2 -8.0 12.2 48.7 90 186 A S E - K 0 299C 16 35,-1.7 209,-0.2 -2,-0.4 2,-0.1 -0.348 43.0 -67.1 -89.2 171.7 -5.4 14.4 50.3 91 187 A N - 0 0 28 207,-1.2 2,-0.2 -2,-0.1 -1,-0.2 -0.351 53.9-114.1 -58.3 132.9 -3.1 16.9 48.6 92 188 A V + 0 0 75 32,-0.1 32,-0.2 -3,-0.1 -1,-0.1 -0.549 45.7 170.0 -67.9 132.5 -0.4 15.3 46.5 93 189 A E E -L 123 0C 73 30,-2.2 30,-3.0 -2,-0.2 -3,-0.0 -0.975 41.1 -79.7-143.8 154.9 3.1 15.9 48.0 94 190 A P E -L 122 0C 71 0, 0.0 28,-0.2 0, 0.0 2,-0.1 -0.296 46.5-139.5 -58.7 139.4 6.6 14.5 47.3 95 191 A S E - 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