==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-OCT-09 3K6Y . COMPND 2 MOLECULE: POSSIBLE MEMBRANE-ASSOCIATED SERINE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR T.BISWAS,J.SMALL,O.VANDAL,S.EHRT,O.V.TSODIKOV . 227 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 33.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 17 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 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 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 2 2 4 1 0 1 1 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 . 0 0 0 0 0 1 1 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 1 171 A A 0 0 150 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 121.5 2.5 -58.6 0.5 2 172 A V - 0 0 114 2,-0.0 2,-0.1 1,-0.0 0, 0.0 -0.841 360.0-123.4 -88.3 128.0 2.2 -54.9 -0.5 3 173 A L - 0 0 149 -2,-0.5 -1,-0.0 1,-0.1 0, 0.0 -0.439 17.0-143.4 -72.4 148.4 5.7 -53.6 -1.4 4 174 A E + 0 0 160 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.178 47.6 126.0-118.0 46.9 6.9 -50.6 0.6 5 175 A P - 0 0 106 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.429 56.5-122.8 -79.8 172.0 8.9 -48.1 -1.5 6 176 A F - 0 0 181 -2,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.946 32.5-176.0-110.6 134.7 7.7 -44.5 -1.6 7 177 A S + 0 0 104 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.974 10.2 176.4-130.0 153.7 7.0 -43.0 -4.9 8 178 A R - 0 0 195 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.979 39.2 -96.4-143.0 159.8 6.0 -39.6 -6.2 9 179 A T - 0 0 129 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.546 48.0-114.1 -71.1 138.2 5.4 -38.0 -9.6 10 180 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.232 39.3 -85.1 -64.3 159.2 8.5 -36.2 -10.8 11 181 A V - 0 0 48 1,-0.1 153,-0.0 153,-0.0 187,-0.0 -0.430 64.3 -87.6 -59.4 144.5 8.5 -32.4 -11.3 12 182 A I - 0 0 53 -3,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.408 44.5-124.8 -62.0 124.0 7.0 -31.8 -14.8 13 183 A P + 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.505 39.7 169.4 -67.9 135.7 9.8 -31.9 -17.3 14 184 A V - 0 0 21 -2,-0.2 126,-0.1 124,-0.1 124,-0.0 -0.953 37.8 -82.3-140.9 163.3 10.0 -28.7 -19.4 15 185 A A - 0 0 66 -2,-0.3 150,-0.1 1,-0.1 3,-0.1 -0.183 58.7 -83.7 -62.2 156.0 12.5 -27.2 -21.9 16 186 A S - 0 0 71 1,-0.1 -1,-0.1 121,-0.0 121,-0.1 -0.261 57.8 -94.4 -55.6 144.3 15.5 -25.3 -20.7 17 187 A P - 0 0 20 0, 0.0 121,-0.1 0, 0.0 -1,-0.1 -0.311 43.3-100.1 -61.6 148.6 14.8 -21.6 -19.9 18 188 A D > - 0 0 63 119,-0.3 3,-2.0 1,-0.2 4,-0.2 -0.596 28.2-153.8 -72.8 112.7 15.4 -19.1 -22.7 19 189 A P G > S+ 0 0 100 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.734 88.6 71.9 -61.9 -21.0 18.8 -17.6 -21.9 20 190 A A G > S+ 0 0 57 1,-0.3 3,-2.0 2,-0.1 4,-0.3 0.651 72.6 86.8 -69.1 -14.1 17.8 -14.4 -23.9 21 191 A L G X S+ 0 0 3 -3,-2.0 3,-1.4 1,-0.3 -1,-0.3 0.776 73.3 71.6 -58.6 -26.1 15.4 -13.5 -21.1 22 192 A V G < S+ 0 0 59 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.801 104.9 40.3 -57.7 -28.2 18.2 -11.7 -19.3 23 193 A N G < S+ 0 0 139 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.319 83.3 128.0-104.5 4.9 18.0 -9.1 -22.0 24 194 A N X> - 0 0 44 -3,-1.4 3,-2.2 -4,-0.3 4,-0.7 -0.391 69.2-122.7 -61.2 135.4 14.2 -8.9 -22.2 25 195 A P H 3> S+ 0 0 106 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.739 107.7 70.5 -53.9 -22.1 13.1 -5.3 -21.9 26 196 A V H 3> S+ 0 0 14 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.799 90.0 62.1 -63.9 -27.1 10.9 -6.3 -18.9 27 197 A V H X> S+ 0 0 14 -3,-2.2 4,-2.5 -6,-0.2 3,-0.5 0.979 106.2 40.9 -66.6 -52.8 14.0 -6.8 -16.8 28 198 A A H 3< S+ 0 0 69 -4,-0.7 -1,-0.2 1,-0.3 -2,-0.2 0.834 115.3 52.8 -65.1 -33.5 15.3 -3.2 -16.9 29 199 A A H 3< S+ 0 0 78 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.793 115.6 39.3 -72.1 -28.3 11.8 -1.9 -16.5 30 200 A T H X< S+ 0 0 6 -4,-1.6 3,-1.9 -3,-0.5 4,-0.3 0.775 93.8 85.4 -92.0 -30.4 11.1 -4.0 -13.4 31 201 A E G >< S+ 0 0 80 -4,-2.5 3,-2.1 1,-0.3 -1,-0.1 0.787 79.9 61.4 -42.4 -44.7 14.5 -3.7 -11.7 32 202 A P G 3 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.806 105.4 49.0 -59.6 -27.5 13.9 -0.4 -9.9 33 203 A S G < S+ 0 0 4 -3,-1.9 21,-2.3 -4,-0.1 2,-0.6 0.367 93.5 85.7 -91.7 2.2 11.1 -2.0 -7.9 34 204 A V E < -A 53 0A 2 -3,-2.1 2,-0.3 -4,-0.3 19,-0.2 -0.943 67.6-168.5-107.0 118.8 13.1 -5.1 -6.9 35 205 A V E -A 52 0A 0 17,-2.2 17,-2.3 -2,-0.6 2,-0.4 -0.734 21.9-121.3-115.7 156.6 15.1 -4.3 -3.8 36 206 A K E -AB 51 76A 35 40,-1.9 40,-2.9 -2,-0.3 2,-0.5 -0.767 24.8-154.4 -94.1 139.9 17.9 -5.8 -1.8 37 207 A I E -AB 50 75A 0 13,-2.5 13,-2.2 -2,-0.4 2,-0.4 -0.962 10.7-175.1-116.6 130.6 17.2 -6.6 1.8 38 208 A R E -AB 49 74A 87 36,-2.5 36,-2.7 -2,-0.5 2,-0.5 -0.989 5.8-172.5-124.9 124.8 20.0 -6.8 4.5 39 209 A S E -AB 48 73A 0 9,-3.1 9,-2.9 -2,-0.4 2,-0.5 -0.961 17.9-142.0-123.6 121.8 19.1 -8.0 8.0 40 210 A L E +AB 47 72A 69 32,-2.2 31,-2.8 -2,-0.5 32,-1.0 -0.721 22.3 178.7 -80.9 126.8 21.4 -7.9 11.0 41 211 A A E > > +A 46 0A 0 5,-2.2 5,-1.8 -2,-0.5 3,-1.7 -0.541 15.4 161.8-132.5 68.4 20.7 -11.0 13.0 42 212 A P G > 5S+ 0 0 81 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.824 77.6 63.1 -58.8 -28.7 23.1 -11.1 16.0 43 213 A R G 3 5S+ 0 0 151 26,-0.5 182,-0.1 1,-0.3 27,-0.1 0.814 112.5 37.1 -62.6 -26.9 20.8 -13.6 17.7 44 214 A a G < 5S- 0 0 24 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.339 110.2-122.6-103.9 0.5 21.6 -15.9 14.9 45 215 A Q T < 5S+ 0 0 189 -3,-1.1 2,-0.3 -4,-0.4 -2,-0.1 0.878 78.3 102.7 53.9 43.5 25.3 -14.8 14.5 46 216 A K E < -A 41 0A 109 -5,-1.8 -5,-2.2 2,-0.0 2,-0.5 -0.971 69.2-136.9-146.4 155.7 24.5 -13.9 10.9 47 217 A V E -A 40 0A 74 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.995 32.8-150.9-107.7 126.6 23.8 -11.1 8.5 48 218 A L E -A 39 0A 36 -9,-2.9 -9,-3.1 -2,-0.5 2,-0.4 -0.823 13.1-172.2 -98.8 137.0 20.9 -12.3 6.2 49 219 A E E +A 38 0A 60 -2,-0.4 2,-0.2 -11,-0.2 -11,-0.2 -0.995 20.4 129.7-129.9 136.4 20.6 -11.0 2.6 50 220 A G E -A 37 0A 1 -13,-2.2 -13,-2.5 -2,-0.4 2,-0.3 -0.758 45.4 -87.7-154.1-154.6 17.8 -11.5 0.2 51 221 A T E +A 36 0A 0 122,-2.9 12,-0.4 -15,-0.2 2,-0.3 -0.862 30.3 173.5-127.5 157.0 15.4 -9.7 -2.1 52 222 A G E -A 35 0A 0 -17,-2.3 -17,-2.2 -2,-0.3 2,-0.3 -0.911 16.1-140.6-146.5-177.7 12.1 -8.0 -1.9 53 223 A F E -AC 34 61A 1 8,-2.0 8,-2.7 -2,-0.3 2,-0.4 -0.996 26.9 -99.0-150.1 153.8 9.8 -6.0 -4.2 54 224 A V E + C 0 60A 0 -21,-2.3 54,-2.7 -2,-0.3 6,-0.3 -0.558 35.5 171.5 -75.1 124.0 7.5 -3.0 -3.9 55 225 A I E S- 0 0 19 4,-2.4 5,-0.2 1,-0.4 -1,-0.2 0.604 72.1 -8.6-105.4 -18.0 3.9 -4.0 -3.5 56 226 A S E > S- C 0 59A 47 3,-1.2 3,-2.4 50,-0.1 -1,-0.4 -0.928 104.6 -56.7-167.0 160.3 2.4 -0.6 -2.8 57 227 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 43,-0.1 -0.220 126.6 1.4 -50.8 131.7 4.1 2.8 -2.1 58 228 A D T 3 S+ 0 0 49 45,-0.4 42,-2.5 47,-0.3 2,-0.4 0.687 112.1 107.6 63.7 22.8 6.4 2.5 0.9 59 229 A R E < -CD 56 99A 39 -3,-2.4 -4,-2.4 40,-0.2 -3,-1.2 -0.994 45.5-173.7-136.8 128.0 5.6 -1.3 1.2 60 230 A V E -CD 54 98A 0 38,-2.3 38,-3.0 -2,-0.4 2,-0.4 -0.962 11.2-150.0-122.4 134.1 7.9 -4.1 0.3 61 231 A M E +CD 53 97A 0 -8,-2.7 -8,-2.0 -2,-0.4 2,-0.3 -0.849 29.4 147.1-100.0 143.1 7.1 -7.9 0.3 62 232 A T E - D 0 96A 0 34,-2.3 34,-2.5 -2,-0.4 2,-0.3 -0.851 51.2 -74.4-150.4-177.3 9.8 -10.5 1.0 63 233 A N > - 0 0 0 -12,-0.4 3,-1.1 32,-0.3 4,-0.5 -0.644 34.1-125.8 -81.5 151.7 10.0 -14.0 2.6 64 234 A A G >> S+ 0 0 0 26,-0.3 3,-1.7 -2,-0.3 4,-1.2 0.898 110.7 60.7 -58.7 -38.9 9.7 -14.3 6.4 65 235 A H G 34 S+ 0 0 43 1,-0.3 -1,-0.2 2,-0.2 161,-0.2 0.677 91.5 67.3 -70.0 -11.5 13.0 -16.3 6.3 66 236 A V G <4 S+ 0 0 4 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.767 118.2 22.7 -74.2 -22.3 14.8 -13.3 4.8 67 237 A V T X4 S+ 0 0 0 -3,-1.7 3,-2.2 -4,-0.5 -2,-0.2 0.400 88.9 136.8-120.7 -0.2 14.3 -11.4 8.1 68 238 A A T 3< S+ 0 0 2 -4,-1.2 158,-0.3 1,-0.3 155,-0.2 -0.234 79.9 3.3 -57.8 128.3 13.8 -14.2 10.6 69 239 A G T 3 S+ 0 0 1 153,-2.3 -26,-0.5 1,-0.2 -1,-0.3 0.392 101.5 131.1 81.5 -3.0 15.7 -13.7 13.9 70 240 A S < - 0 0 6 -3,-2.2 -29,-0.3 152,-0.2 152,-0.3 -0.335 44.8-165.0 -81.9 164.4 16.9 -10.3 12.8 71 241 A N S S+ 0 0 117 -31,-2.8 2,-0.3 1,-0.3 -30,-0.1 0.355 77.6 38.5-127.2 6.8 16.8 -7.0 14.8 72 242 A N E -B 40 0A 76 -32,-1.0 -32,-2.2 -5,-0.1 2,-0.4 -0.935 62.1-170.7-155.5 130.5 17.6 -4.5 12.0 73 243 A V E -B 39 0A 10 11,-0.5 11,-1.4 -2,-0.3 2,-0.4 -0.991 2.4-173.0-128.4 127.7 16.4 -4.6 8.4 74 244 A T E -BE 38 83A 25 -36,-2.7 -36,-2.5 -2,-0.4 2,-0.4 -0.967 10.2-152.9-119.4 138.3 17.6 -2.3 5.6 75 245 A V E -BE 37 82A 0 7,-2.6 7,-2.4 -2,-0.4 2,-0.5 -0.922 9.2-154.7-107.1 133.6 16.2 -2.0 2.1 76 246 A Y E +BE 36 81A 67 -40,-2.9 -40,-1.9 -2,-0.4 2,-0.4 -0.946 19.2 166.5-112.4 125.3 18.4 -0.9 -0.7 77 247 A A E > S- E 0 80A 10 3,-2.2 3,-1.1 -2,-0.5 -42,-0.1 -0.998 72.7 -1.5-134.3 134.7 17.0 0.7 -3.8 78 248 A G T 3 S- 0 0 82 -2,-0.4 -1,-0.1 1,-0.2 -43,-0.0 0.870 129.8 -60.3 53.6 39.3 19.1 2.6 -6.4 79 249 A D T 3 S+ 0 0 106 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.1 0.745 114.7 113.7 60.8 30.2 22.2 1.9 -4.3 80 250 A K E < -E 77 0A 50 -3,-1.1 -3,-2.2 2,-0.0 2,-0.3 -0.989 64.3-123.5-130.5 137.1 20.8 3.8 -1.3 81 251 A P E -E 76 0A 80 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.584 22.5-170.3 -83.0 144.3 19.7 2.4 2.1 82 252 A F E -E 75 0A 34 -7,-2.4 -7,-2.6 -2,-0.3 2,-0.1 -0.999 25.2-119.8-131.1 132.4 16.3 2.9 3.5 83 253 A E E -E 74 0A 174 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.443 35.4-165.0 -66.0 142.5 15.2 2.0 7.1 84 254 A A - 0 0 17 -11,-1.4 -11,-0.5 16,-0.2 2,-0.4 -0.943 15.7-152.9-132.1 153.3 12.5 -0.6 7.2 85 255 A T E -F 99 0A 52 14,-2.0 14,-2.8 -2,-0.3 2,-0.8 -0.989 22.7-128.2-122.3 135.4 10.1 -1.9 9.9 86 256 A V E +F 98 0A 12 -2,-0.4 134,-2.4 12,-0.2 12,-0.2 -0.739 37.1 165.4 -83.0 110.2 8.7 -5.4 9.8 87 257 A V E + 0 0 0 10,-2.2 2,-0.3 -2,-0.8 11,-0.2 0.593 65.4 28.5-106.3 -12.5 4.9 -4.8 10.0 88 258 A S E +F 97 0A 6 9,-1.5 9,-2.2 132,-0.1 2,-0.3 -0.980 63.5 174.3-146.1 139.4 3.6 -8.2 9.0 89 259 A Y E +F 96 0A 34 -2,-0.3 7,-0.2 7,-0.2 132,-0.1 -0.941 3.5 174.6-150.7 118.5 5.5 -11.5 9.5 90 260 A D E >> -F 95 0A 40 5,-2.6 4,-2.1 -2,-0.3 5,-1.8 -0.916 8.4-177.6-134.0 102.4 4.0 -15.0 8.7 91 261 A P T 45S+ 0 0 27 0, 0.0 59,-1.6 0, 0.0 60,-0.2 0.541 82.5 58.7 -79.9 -6.3 6.4 -17.9 9.1 92 262 A S T 45S+ 0 0 50 57,-0.2 65,-0.1 3,-0.1 -2,-0.0 0.912 119.0 26.5 -85.1 -55.5 3.7 -20.4 8.0 93 263 A V T 45S- 0 0 21 2,-0.1 -1,-0.1 56,-0.1 113,-0.0 0.845 109.9-128.7 -71.5 -31.0 3.1 -18.9 4.5 94 264 A D T <5 + 0 0 4 -4,-2.1 2,-0.4 1,-0.3 -29,-0.1 0.915 60.4 129.2 79.6 54.9 6.7 -17.5 4.7 95 265 A V E < - 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