==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-JUN-10 3NNG . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR S.VOROBIEV,M.SU,F.DIMAIO,D.BAKER,J.SEETHARAMAN,J.JANJUA,R.XI . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 34.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 0 0.0 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 . 27 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 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 . 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 0 PARALLEL BRIDGES PER LADDER . 0 3 3 5 1 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 1 186 A T 0 0 113 0, 0.0 116,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 12.7 51.3 2.8 46.8 2 187 A K - 0 0 91 1,-0.1 68,-0.0 114,-0.1 4,-0.0 -0.757 360.0-108.4 -90.1 124.2 51.5 3.8 43.2 3 188 A P > - 0 0 51 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.173 34.3-118.8 -44.9 138.0 48.8 2.7 40.8 4 189 A G T 3 S+ 0 0 77 1,-0.3 -2,-0.1 -3,-0.0 0, 0.0 0.834 106.0 46.7 -57.0 -41.6 50.2 0.0 38.5 5 190 A N T 3 S+ 0 0 80 2,-0.1 147,-2.1 146,-0.0 2,-0.4 0.246 83.2 116.2 -91.7 11.8 49.8 1.7 35.2 6 191 A W E < -A 151 0A 10 -3,-1.6 2,-0.5 145,-0.2 145,-0.2 -0.660 45.8-162.7 -81.4 133.3 51.2 5.2 36.2 7 192 A S E -A 150 0A 28 143,-3.0 143,-2.0 -2,-0.4 2,-0.1 -0.968 20.6-124.0-118.7 121.6 54.3 6.4 34.4 8 193 A A E -A 149 0A 45 -2,-0.5 2,-0.4 141,-0.2 141,-0.2 -0.371 29.2-122.2 -59.2 134.1 56.4 9.2 35.9 9 194 A V - 0 0 5 139,-3.0 139,-0.3 1,-0.1 -1,-0.1 -0.672 27.6-108.1 -82.5 129.5 56.9 12.1 33.3 10 195 A D - 0 0 106 -2,-0.4 3,-0.2 1,-0.1 -1,-0.1 -0.346 33.5-169.4 -56.5 133.1 60.5 13.0 32.5 11 196 A R > + 0 0 37 1,-0.1 3,-2.3 24,-0.1 -1,-0.1 0.483 53.6 103.7-109.4 -7.4 61.2 16.3 34.1 12 197 A S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.648 88.9 41.0 -60.6 -18.9 64.6 17.4 32.7 13 198 A A T 3 S+ 0 0 50 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.329 88.4 120.6-111.3 5.1 63.0 20.0 30.3 14 199 A W < - 0 0 22 -3,-2.3 2,-0.5 46,-0.1 46,-0.2 -0.319 56.4-143.1 -60.2 149.8 60.5 21.3 32.8 15 200 A S E -B 59 0A 46 44,-2.2 44,-2.9 155,-0.1 2,-0.3 -0.959 28.4-171.0-118.9 109.7 60.6 25.0 33.6 16 201 A V E +B 58 0A 28 -2,-0.5 2,-0.3 42,-0.2 42,-0.2 -0.727 15.4 164.4-112.4 152.1 59.7 25.4 37.3 17 202 A S E -B 57 0A 2 40,-2.5 40,-3.2 -2,-0.3 2,-0.3 -0.943 12.0-159.7-152.1 171.0 58.9 28.2 39.7 18 203 A C E -B 56 0A 11 -2,-0.3 38,-0.2 38,-0.2 3,-0.1 -0.936 34.9-102.4-149.9 171.6 57.4 28.9 43.1 19 204 A S S S- 0 0 3 36,-2.2 2,-0.3 -2,-0.3 37,-0.1 0.914 97.7 -16.3 -63.6 -46.0 55.8 31.5 45.3 20 205 A N - 0 0 31 35,-0.3 2,-0.5 26,-0.1 -1,-0.2 -0.971 59.0-127.2-156.4 155.8 58.9 32.2 47.4 21 206 A V > - 0 0 22 -2,-0.3 3,-2.3 -3,-0.1 24,-0.2 -0.971 40.1-107.9-112.0 127.0 62.2 30.5 48.2 22 207 A Y G > S- 0 0 55 22,-2.4 3,-2.3 -2,-0.5 7,-0.2 -0.217 101.3 -0.3 -53.2 135.3 62.9 30.0 51.9 23 208 A A G 3 S- 0 0 59 1,-0.3 -1,-0.3 5,-0.1 3,-0.1 0.709 115.3 -87.3 60.9 18.0 65.6 32.4 53.2 24 209 A D G < S+ 0 0 134 -3,-2.3 2,-0.9 1,-0.2 -1,-0.3 0.841 91.5 143.0 49.3 33.3 65.8 33.7 49.6 25 210 A D X> + 0 0 49 -3,-2.3 4,-2.6 1,-0.2 3,-0.6 -0.757 23.6 173.6-109.3 85.1 68.3 30.8 49.2 26 211 A D H 3> S+ 0 0 94 -2,-0.9 4,-1.7 1,-0.3 -1,-0.2 0.865 76.9 52.6 -62.8 -42.2 67.6 29.5 45.6 27 212 A A H 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.790 119.7 35.1 -62.0 -30.5 70.5 27.1 45.5 28 213 A K H <4 S+ 0 0 120 -3,-0.6 14,-0.6 -6,-0.1 -2,-0.2 0.775 137.4 12.3 -98.3 -30.5 69.4 25.5 48.8 29 214 A Y H < S+ 0 0 27 -4,-2.6 15,-1.6 -7,-0.2 -7,-0.4 0.172 88.6 140.3-136.0 16.0 65.6 25.6 48.7 30 215 A G >< - 0 0 0 -4,-1.7 3,-1.5 -5,-0.2 4,-0.4 -0.127 64.0-106.6 -70.0 163.3 64.7 26.5 45.1 31 216 A A G > S+ 0 0 5 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.823 114.8 62.0 -56.4 -36.8 61.8 25.1 43.0 32 217 A H G > S+ 0 0 83 1,-0.3 3,-1.6 -16,-0.2 -1,-0.3 0.731 88.8 71.2 -67.6 -23.4 64.1 23.0 40.8 33 218 A L G X S+ 0 0 16 -3,-1.5 3,-0.7 1,-0.3 -1,-0.3 0.720 87.4 65.4 -67.1 -18.3 65.2 21.0 43.9 34 219 A A G < S+ 0 0 0 -3,-1.8 112,-2.5 -4,-0.4 -1,-0.3 0.618 108.5 38.3 -74.9 -12.4 61.8 19.4 43.9 35 220 A I G < S+ 0 0 25 -3,-1.6 -1,-0.2 110,-0.2 -2,-0.2 0.028 85.1 97.1-126.8 29.1 62.4 17.7 40.6 36 221 A D S < S- 0 0 72 -3,-0.7 -1,-0.1 108,-0.4 -2,-0.1 0.433 92.0-113.4-101.8 1.8 66.1 16.7 40.7 37 222 A G S S+ 0 0 53 1,-0.2 2,-0.5 107,-0.2 108,-0.1 0.463 79.3 116.5 86.2 3.3 65.5 13.0 41.8 38 223 A E > - 0 0 82 -5,-0.3 3,-1.1 106,-0.3 -2,-0.2 -0.905 52.6-158.2-115.1 125.5 67.1 13.5 45.2 39 224 A I T 3 S+ 0 0 38 -2,-0.5 -1,-0.1 1,-0.2 36,-0.1 0.821 91.9 60.2 -68.9 -25.9 65.3 13.1 48.5 40 225 A N T 3 S+ 0 0 116 34,-0.1 2,-0.4 104,-0.0 -1,-0.2 0.445 94.6 67.8 -89.1 1.3 67.8 15.1 50.4 41 226 A T S < S+ 0 0 43 -3,-1.1 2,-0.4 -8,-0.2 -5,-0.1 -0.954 70.8 179.7-115.0 141.6 67.3 18.3 48.4 42 227 A T - 0 0 6 -14,-0.6 2,-0.4 -2,-0.4 102,-0.3 -0.983 36.2-122.4-145.1 149.2 64.0 20.1 48.8 43 228 A W E +H 143 0B 0 100,-2.2 100,-1.2 -2,-0.4 2,-0.3 -0.738 42.4 175.0 -76.2 136.8 61.9 23.0 47.8 44 229 A F E +H 142 0B 3 -15,-1.6 -22,-2.4 -2,-0.4 2,-0.3 -0.992 4.5 149.4-149.7 142.5 60.9 24.8 51.0 45 230 A T E -H 141 0B 0 96,-2.7 96,-1.7 -2,-0.3 2,-0.2 -0.911 46.9 -65.5-157.2 178.0 59.0 28.0 51.5 46 231 A W E -H 140 0B 68 -2,-0.3 94,-0.3 94,-0.2 93,-0.1 -0.591 52.1-123.8 -72.9 141.3 56.7 30.2 53.6 47 232 A G > - 0 0 0 92,-2.9 4,-1.5 -2,-0.2 3,-0.5 -0.170 32.9 -92.5 -76.3 176.1 53.2 28.9 54.1 48 233 A V H > S+ 0 0 48 86,-0.3 4,-1.2 89,-0.3 91,-0.1 0.766 120.2 62.3 -63.2 -27.6 50.1 30.9 53.1 49 234 A A H 4 S+ 0 0 60 89,-2.2 -1,-0.2 2,-0.2 90,-0.2 0.869 114.5 30.6 -71.2 -36.1 49.6 32.3 56.6 50 235 A N H 4 S+ 0 0 81 88,-0.9 -2,-0.2 -3,-0.5 -1,-0.1 0.960 132.6 26.8 -80.9 -68.2 52.9 34.1 56.6 51 236 A A H < S- 0 0 24 -4,-1.5 -3,-0.2 88,-0.2 -2,-0.2 0.476 99.4-120.9 -83.3 -4.6 53.6 35.1 52.9 52 237 A G S < S+ 0 0 34 -4,-1.2 2,-0.3 -5,-0.4 -4,-0.2 0.054 88.6 41.6 87.1 -28.5 50.0 35.2 51.8 53 238 A E - 0 0 8 -6,-0.3 2,-0.3 192,-0.1 -2,-0.2 -0.982 57.1-170.8-147.5 162.2 50.5 32.5 49.2 54 239 A C + 0 0 3 -2,-0.3 80,-2.1 -35,-0.1 2,-0.3 -0.828 27.9 135.0-158.2 108.4 52.3 29.2 48.8 55 240 A W E - C 0 133A 1 -2,-0.3 -36,-2.2 78,-0.2 2,-0.4 -0.992 36.5-148.1-158.6 158.4 52.7 27.3 45.5 56 241 A W E -BC 18 132A 0 76,-1.6 76,-2.9 -2,-0.3 2,-0.3 -0.991 23.5-170.5-133.2 140.1 55.0 25.4 43.2 57 242 A N E -BC 17 131A 0 -40,-3.2 -40,-2.5 -2,-0.4 2,-0.4 -0.967 10.2-167.0-138.2 143.1 54.5 25.5 39.4 58 243 A T E -BC 16 130A 0 72,-2.7 72,-2.5 -2,-0.3 2,-0.7 -0.997 14.1-152.1-133.7 132.5 55.9 23.7 36.3 59 244 A V E -BC 15 129A 6 -44,-2.9 -44,-2.2 -2,-0.4 70,-0.2 -0.917 28.0-143.2 -90.5 115.3 55.7 24.5 32.6 60 245 A L E - 0 0 0 68,-2.9 -46,-0.1 -2,-0.7 -49,-0.1 -0.588 8.6-151.0 -77.4 141.4 55.9 21.1 30.9 61 246 A D E S+ 0 0 73 1,-0.3 -1,-0.1 -2,-0.2 -47,-0.1 0.849 93.6 36.1 -78.3 -35.4 57.8 20.9 27.7 62 247 A R E S- 0 0 111 -3,-0.1 -1,-0.3 66,-0.0 65,-0.1 -0.952 92.9-131.4-117.1 111.3 55.6 18.0 26.5 63 248 A P E - 0 0 27 0, 0.0 2,-0.3 0, 0.0 65,-0.2 -0.226 28.3-159.9 -58.1 147.0 52.0 18.3 27.6 64 249 A V E - C 0 127A 4 63,-1.5 63,-2.7 60,-0.1 2,-1.2 -0.908 31.1-112.0-130.1 157.1 50.6 15.1 29.1 65 250 A T E - 0 0 66 -2,-0.3 86,-0.5 60,-0.2 2,-0.5 -0.790 50.6-138.4 -81.7 100.4 47.3 13.5 29.9 66 251 A L E + C 0 124A 0 58,-2.8 58,-2.1 -2,-1.2 84,-0.2 -0.509 33.9 172.1 -77.5 117.7 47.7 13.9 33.6 67 252 A T E - 0 0 3 82,-2.8 53,-3.1 -2,-0.5 2,-0.3 0.623 62.8 -55.3 -97.4 -15.9 46.6 10.9 35.7 68 253 A G E -DC 149 119A 0 81,-0.9 81,-2.4 51,-0.3 -1,-0.3 -0.967 48.5-120.3 166.5-175.2 47.9 12.1 39.0 69 254 A F E -DC 148 118A 0 49,-2.3 49,-3.5 -2,-0.3 2,-0.3 -0.923 13.0-146.1-145.6 173.7 50.9 13.4 40.9 70 255 A S E -DC 147 117A 0 77,-2.0 77,-2.2 -2,-0.3 2,-0.3 -0.998 8.2-170.6-145.4 147.6 53.0 12.5 43.9 71 256 A V E -DC 146 116A 0 45,-1.6 45,-2.3 -2,-0.3 75,-0.2 -0.921 7.2-154.2-132.9 156.1 54.9 14.3 46.6 72 257 A T - 0 0 7 73,-1.0 11,-0.4 -2,-0.3 41,-0.1 -0.568 40.3 -71.4-111.5-179.4 57.4 13.3 49.3 73 258 A K - 0 0 60 39,-0.4 71,-2.5 41,-0.2 72,-0.4 -0.257 50.1-114.8 -53.9 160.2 58.4 14.8 52.7 74 259 A Q - 0 0 3 69,-0.3 7,-0.1 68,-0.2 8,-0.1 -0.780 21.4-153.8 -89.4 154.2 60.4 18.0 52.5 75 260 A S S S+ 0 0 34 -2,-0.3 -33,-0.1 -32,-0.1 3,-0.1 0.028 71.4 86.2-121.7 26.8 63.9 17.4 54.0 76 261 A A S S- 0 0 28 1,-0.2 2,-0.2 -33,-0.2 -1,-0.1 0.850 100.4 -5.9 -91.0 -42.8 64.8 20.9 55.1 77 262 A Y S S- 0 0 108 1,-0.2 -1,-0.2 -3,-0.0 4,-0.1 -0.749 99.7 -34.0-142.7-174.0 63.3 20.8 58.6 78 263 A G > - 0 0 47 -2,-0.2 3,-2.2 1,-0.1 -1,-0.2 0.023 57.9-108.3 -53.9 156.9 61.1 18.7 60.9 79 264 A S G > S+ 0 0 95 1,-0.3 3,-1.7 2,-0.2 31,-0.2 0.625 109.2 81.3 -64.9 -17.2 58.2 16.6 59.6 80 265 A G G 3 S+ 0 0 60 1,-0.3 -1,-0.3 61,-0.0 -2,-0.1 0.608 91.3 54.5 -62.5 -11.1 55.7 19.0 61.1 81 266 A Y G < S+ 0 0 81 -3,-2.2 61,-0.6 -4,-0.1 -1,-0.3 0.389 78.8 118.8-103.4 1.3 56.4 21.0 57.9 82 267 A N B < S-i 142 0B 21 -3,-1.7 -9,-0.1 59,-0.2 61,-0.1 -0.349 81.8 -83.6 -60.5 151.7 55.6 18.2 55.5 83 268 A L + 0 0 2 59,-0.6 -1,-0.1 -11,-0.4 3,-0.1 -0.348 48.5 173.7 -63.5 133.6 52.7 19.0 53.1 84 269 A R + 0 0 100 52,-2.7 23,-3.0 1,-0.4 2,-0.3 0.779 63.3 3.9-110.0 -46.9 49.3 18.2 54.6 85 270 A S E +EF 106 136A 16 51,-2.2 50,-2.3 21,-0.2 51,-1.5 -1.000 63.5 172.6-146.5 147.3 46.8 19.6 52.1 86 271 A A E -EF 105 134A 0 19,-2.7 19,-3.0 -2,-0.3 2,-0.3 -0.966 22.4-139.1-149.2 162.7 46.9 21.1 48.7 87 272 A E E - F 0 133A 52 46,-2.6 46,-2.9 -2,-0.3 2,-0.4 -0.951 22.1-143.0-123.7 145.7 44.8 22.3 45.7 88 273 A I E - F 0 132A 0 13,-0.4 13,-2.7 15,-0.4 2,-0.4 -0.899 15.3-178.0-114.3 136.6 45.8 21.8 42.1 89 274 A K E -GF 100 131A 14 42,-2.6 42,-3.3 -2,-0.4 2,-0.3 -0.992 7.7-174.5-125.3 142.2 45.4 24.0 39.0 90 275 A V E -GF 99 130A 2 9,-2.6 9,-3.2 -2,-0.4 2,-0.4 -0.912 15.4-149.1-127.8 159.0 46.4 23.1 35.4 91 276 A R E - F 0 129A 2 38,-2.4 37,-2.9 -2,-0.3 38,-1.9 -0.999 20.6-135.8-125.0 127.1 46.4 24.9 32.1 92 277 A K E > - F 0 127A 62 5,-0.5 3,-2.2 -2,-0.4 35,-0.2 -0.526 37.6 -85.0 -82.2 151.5 45.9 22.9 28.9 93 278 A E T 3 S+ 0 0 84 33,-2.8 -1,-0.1 1,-0.3 3,-0.1 -0.257 115.6 16.8 -55.0 136.5 48.1 23.5 25.9 94 279 A G T 3 S+ 0 0 37 1,-0.3 2,-0.3 109,-0.2 -1,-0.3 0.354 104.1 111.8 80.6 -6.6 46.9 26.4 23.8 95 280 A E < - 0 0 94 -3,-2.2 -1,-0.3 1,-0.1 33,-0.0 -0.755 48.3-168.8-102.8 150.3 44.7 27.8 26.6 96 281 A T S S+ 0 0 64 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.497 70.6 79.8-108.4 -12.8 45.1 31.0 28.5 97 282 A E S S- 0 0 117 -5,-0.1 -5,-0.5 1,-0.0 2,-0.3 -0.770 75.7-133.7 -96.5 144.7 42.6 30.2 31.2 98 283 A W - 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