==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 26-MAY-11 3S7I . COMPND 2 MOLECULE: ALLERGEN ARA H 1, CLONE P41B; . SOURCE 2 ORGANISM_SCIENTIFIC: ARACHIS HYPOGAEA; . AUTHOR M.CHRUSZCZ,S.J.MALEKI,R.SOLBERG,W.MINOR . 732 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 505 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 273 37.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 . 1 0.1 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 . 54 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 2 5 3 2 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 7 11 4 5 5 8 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 2 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 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 R 0 0 67 0, 0.0 2,-0.3 0, 0.0 384,-0.1 0.000 360.0 360.0 360.0-102.7 21.3 16.7 21.0 2 172 A N - 0 0 102 284,-0.0 384,-0.0 0, 0.0 385,-0.0 -0.832 360.0-121.2-136.6 174.2 22.3 19.9 19.2 3 173 A N > - 0 0 9 -2,-0.3 3,-1.0 3,-0.2 283,-0.0 -0.950 15.4-171.8-132.8 108.8 23.6 20.5 15.6 4 174 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.726 89.6 61.6 -74.8 -16.5 26.9 22.1 14.7 5 175 A F T 3 S+ 0 0 0 291,-0.1 292,-2.0 266,-0.1 2,-0.5 0.583 92.9 80.0 -80.8 -8.7 25.9 22.2 11.0 6 176 A Y E < +A 296 0A 40 -3,-1.0 290,-0.2 290,-0.2 -3,-0.2 -0.886 49.5 178.9-114.9 125.0 22.9 24.5 11.7 7 177 A F E -A 295 0A 0 288,-3.6 288,-2.3 -2,-0.5 5,-0.0 -0.894 19.8-150.7-119.4 99.1 23.1 28.3 12.3 8 178 A P > - 0 0 11 0, 0.0 3,-3.7 0, 0.0 4,-0.3 -0.305 32.9-104.9 -70.6 157.1 19.7 29.8 12.9 9 179 A S G > S+ 0 0 13 1,-0.3 3,-1.5 2,-0.2 284,-0.0 0.740 120.0 71.0 -60.5 -17.0 19.3 33.3 11.7 10 180 A R G 3 S+ 0 0 183 1,-0.3 -1,-0.3 3,-0.0 284,-0.0 0.743 86.0 67.6 -63.5 -23.9 19.4 34.3 15.4 11 181 A R G < S+ 0 0 78 -3,-3.7 16,-0.9 2,-0.1 2,-0.3 0.510 82.0 95.2 -75.3 -3.1 23.1 33.4 15.2 12 182 A F E < -G 26 0B 13 -3,-1.5 2,-0.4 -4,-0.3 14,-0.2 -0.662 65.9-152.2 -80.7 147.1 23.6 36.4 12.9 13 183 A S E -G 25 0B 74 12,-1.9 12,-2.6 -2,-0.3 2,-0.2 -0.984 16.5-121.4-120.6 132.1 24.8 39.6 14.6 14 184 A T E -G 24 0B 72 -2,-0.4 10,-0.3 10,-0.3 3,-0.2 -0.513 24.6-178.6 -70.5 134.9 23.9 43.0 13.2 15 185 A R E S+ 0 0 75 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.741 79.2 13.9-104.5 -33.8 27.0 45.1 12.5 16 186 A Y E S+G 23 0B 27 7,-1.3 7,-2.3 2,-0.0 -1,-0.4 -0.986 78.4 169.0-141.7 130.6 25.0 48.1 11.3 17 187 A G E +G 22 0B 30 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.997 6.8 129.9-145.6 151.8 21.3 48.6 11.8 18 188 A N - 0 0 38 3,-2.1 3,-0.2 -2,-0.3 156,-0.1 -0.978 67.4 -66.2-175.5-172.4 18.6 51.2 11.6 19 189 A Q S S+ 0 0 93 -2,-0.3 -1,-0.1 1,-0.2 31,-0.1 0.904 128.2 50.4 -61.0 -38.8 15.1 52.1 10.4 20 190 A N S S- 0 0 6 156,-0.3 30,-2.5 153,-0.2 2,-0.3 0.795 123.7 -57.5 -66.9 -36.0 16.4 51.8 6.8 21 191 A G E - H 0 49B 8 28,-0.2 -3,-2.1 155,-0.2 2,-0.3 -0.987 44.1-117.2 177.1-171.8 18.1 48.4 7.0 22 192 A R E -GH 17 48B 95 26,-2.1 26,-2.0 -2,-0.3 2,-0.6 -0.948 3.8-148.9-160.6 141.1 20.6 46.2 8.6 23 193 A I E -GH 16 47B 4 -7,-2.3 -8,-3.3 -2,-0.3 -7,-1.3 -0.978 23.6-172.6-108.5 111.7 23.7 44.3 7.7 24 194 A R E -GH 14 46B 28 22,-2.4 22,-2.6 -2,-0.6 2,-0.5 -0.903 7.8-156.1-107.4 140.7 24.1 41.1 9.8 25 195 A V E -GH 13 45B 9 -12,-2.6 -12,-1.9 -2,-0.4 20,-0.2 -0.982 16.2-129.1-121.1 128.4 27.2 38.9 9.7 26 196 A L E -G 12 0B 0 18,-3.0 18,-0.2 -2,-0.5 -14,-0.2 -0.496 37.9 -98.9 -72.6 143.5 27.1 35.3 10.6 27 197 A Q - 0 0 41 -16,-0.9 17,-0.2 -2,-0.2 -1,-0.1 -0.121 50.0 -78.3 -62.2 164.0 29.8 34.2 13.2 28 198 A R >> - 0 0 45 1,-0.1 3,-1.8 15,-0.1 4,-0.8 -0.371 38.6-135.4 -67.0 133.5 33.0 32.6 12.2 29 199 A F H 3> S+ 0 0 1 13,-0.4 4,-1.2 10,-0.3 -1,-0.1 0.744 101.8 54.1 -67.6 -26.0 32.3 28.9 11.4 30 200 A D H 34 S+ 0 0 30 2,-0.2 -1,-0.3 1,-0.2 7,-0.1 0.355 92.2 70.0 -89.4 2.2 35.4 27.7 13.3 31 201 A Q H <4 S+ 0 0 138 -3,-1.8 -1,-0.2 5,-0.1 -2,-0.2 0.805 104.8 48.1 -77.8 -29.7 34.4 29.5 16.5 32 202 A R H < S- 0 0 63 -4,-0.8 2,-0.3 1,-0.2 -2,-0.2 0.999 128.0 -17.3 -60.7 -68.8 31.7 26.9 16.4 33 203 A S >< - 0 0 28 -4,-1.2 3,-1.5 -29,-0.1 -1,-0.2 -0.935 50.1-120.7-154.9 145.7 33.6 23.7 15.8 34 204 A R G > S+ 0 0 89 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 0.711 105.9 78.0 -74.5 -16.8 37.1 22.4 14.5 35 205 A Q G 3 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.583 91.7 53.6 -55.9 -17.4 35.1 20.6 11.9 36 206 A F G X + 0 0 4 -3,-1.5 3,-0.8 1,-0.2 -1,-0.3 0.094 66.9 113.7-115.9 25.7 34.8 23.9 10.1 37 207 A Q G X S+ 0 0 89 -3,-1.5 3,-2.1 1,-0.2 4,-0.3 0.935 77.9 55.8 -58.5 -40.8 38.4 24.9 9.9 38 208 A N G 3 S+ 0 0 129 1,-0.3 -1,-0.2 -3,-0.2 3,-0.2 0.718 109.2 48.3 -70.3 -13.6 38.2 24.5 6.1 39 209 A L G X S+ 0 0 2 -3,-0.8 3,-1.5 1,-0.1 -10,-0.3 0.337 79.5 103.9-102.9 10.9 35.4 26.9 6.1 40 210 A Q T < S+ 0 0 46 -3,-2.1 -1,-0.1 1,-0.3 -2,-0.1 0.757 74.1 58.6 -67.3 -29.4 37.0 29.6 8.3 41 211 A N T 3 S+ 0 0 46 -4,-0.3 2,-0.5 -3,-0.2 -1,-0.3 0.272 92.4 81.4 -85.5 18.4 37.8 32.0 5.6 42 212 A H < + 0 0 20 -3,-1.5 -13,-0.4 78,-0.2 2,-0.4 -0.980 55.2 179.4-128.8 117.0 34.1 32.3 4.5 43 213 A R E - I 0 119B 24 76,-2.6 76,-3.2 -2,-0.5 2,-0.5 -0.941 19.8-138.9-116.5 139.3 31.7 34.6 6.3 44 214 A I E - I 0 118B 0 -2,-0.4 -18,-3.0 -17,-0.2 2,-0.4 -0.878 17.5-171.2-102.0 135.1 28.1 35.0 5.4 45 215 A V E -HI 25 117B 5 72,-2.5 72,-3.2 -2,-0.5 2,-0.4 -0.945 5.3-164.0-120.0 137.3 26.5 38.4 5.4 46 216 A Q E -HI 24 116B 6 -22,-2.6 -22,-2.4 -2,-0.4 2,-0.4 -0.991 6.3-167.0-122.0 128.8 22.7 39.2 4.9 47 217 A I E -HI 23 115B 3 68,-2.8 68,-2.4 -2,-0.4 2,-0.4 -0.905 4.6-171.4-112.7 132.8 21.6 42.7 4.1 48 218 A E E +HI 22 114B 61 -26,-2.0 -26,-2.1 -2,-0.4 2,-0.4 -0.997 10.5 177.9-122.9 123.0 17.9 43.8 4.3 49 219 A A E -HI 21 113B 2 64,-2.9 64,-3.4 -2,-0.4 -28,-0.2 -0.998 22.4-129.6-123.9 139.4 17.1 47.3 3.0 50 220 A K > - 0 0 100 -30,-2.5 3,-0.6 -2,-0.4 56,-0.2 -0.147 48.5 -66.8 -74.9 169.0 13.7 49.0 2.7 51 221 A P T 3 S+ 0 0 32 0, 0.0 58,-0.2 0, 0.0 -1,-0.2 -0.171 118.2 15.7 -52.1 155.5 12.3 50.6 -0.4 52 222 A N T 3 S+ 0 0 30 56,-1.4 127,-2.8 54,-0.7 2,-0.3 0.814 98.4 127.2 47.1 45.7 14.1 53.7 -1.7 53 223 A T E < -M 178 0C 2 -3,-0.6 53,-2.2 53,-0.3 2,-0.4 -0.912 44.1-153.1-127.6 156.6 17.2 53.2 0.4 54 224 A L E -MN 177 105C 20 123,-2.4 123,-2.4 -2,-0.3 2,-0.5 -0.996 14.7-139.4-131.6 131.2 20.9 53.0 -0.4 55 225 A V E -MN 176 104C 0 49,-2.7 49,-1.1 -2,-0.4 121,-0.2 -0.750 43.8-117.7 -80.9 126.0 23.7 51.2 1.4 56 226 A L E - 0 0 34 119,-3.3 46,-0.1 -2,-0.5 -1,-0.1 -0.207 36.5 -73.7 -75.0 164.2 26.5 53.7 1.2 57 227 A P E + 0 0 39 0, 0.0 77,-0.3 0, 0.0 2,-0.3 -0.169 64.7 147.0 -56.8 133.3 29.8 53.3 -0.6 58 228 A K E - N 0 102C 6 44,-1.7 44,-3.3 74,-0.2 2,-0.3 -0.961 31.7-150.4-155.5 158.5 32.3 51.0 1.1 59 229 A H E -R 131 0D 43 72,-2.2 72,-3.6 -2,-0.3 2,-0.3 -0.938 14.4-152.7-123.7 163.0 35.1 48.6 0.3 60 230 A A E -R 130 0D 6 40,-0.3 39,-2.3 -2,-0.3 2,-0.6 -0.887 26.2-122.8-129.1 156.4 36.2 45.7 2.3 61 231 A D S S+ 0 0 28 68,-1.4 61,-2.2 -2,-0.3 62,-0.7 -0.304 90.1 81.4 -90.8 49.5 39.4 43.8 2.7 62 232 A A E S-J 121 0B 1 -2,-0.6 2,-0.4 59,-0.3 -2,-0.3 -0.990 83.5-114.2-149.2 150.0 37.6 40.7 1.6 63 233 A D E -J 120 0B 21 57,-3.4 57,-2.6 -2,-0.3 2,-0.4 -0.760 42.4-160.4 -88.6 135.1 36.6 39.2 -1.8 64 234 A N E -JK 119 96B 7 32,-2.1 32,-3.6 -2,-0.4 2,-0.4 -0.894 27.4-168.4-123.5 143.6 32.9 39.1 -2.1 65 235 A I E -JK 118 95B 5 53,-1.9 53,-2.8 -2,-0.4 2,-0.4 -0.999 22.5-161.4-119.3 129.1 30.2 37.4 -4.1 66 236 A L E -JK 117 94B 0 28,-3.4 28,-2.2 -2,-0.4 2,-0.4 -0.868 6.1-169.4-112.2 136.5 26.8 38.9 -3.6 67 237 A V E -JK 116 93B 2 49,-3.7 49,-3.2 -2,-0.4 2,-0.8 -0.982 23.1-127.9-127.8 138.5 23.4 37.4 -4.4 68 238 A I E +J 115 0B 2 24,-2.1 23,-2.4 -2,-0.4 47,-0.2 -0.682 26.0 175.9 -82.2 114.0 19.9 38.8 -4.5 69 239 A Q E - 0 0 13 45,-1.4 2,-0.3 -2,-0.8 46,-0.2 0.818 69.8 -0.0 -84.5 -36.4 17.7 36.7 -2.4 70 240 A Q E S+J 114 0B 54 44,-1.6 44,-2.1 41,-0.0 -1,-0.3 -0.941 106.6 4.5-154.6 133.0 14.6 38.8 -2.8 71 241 A G S S- 0 0 2 -2,-0.3 19,-0.6 42,-0.2 2,-0.4 -0.517 82.0 -53.7 100.9-166.9 13.6 42.0 -4.7 72 242 A Q E +O 89 0C 58 17,-0.2 35,-1.2 39,-0.2 36,-0.8 -0.980 49.4 173.7-123.9 131.6 15.3 44.4 -7.1 73 243 A A E -OP 88 106C 0 15,-3.0 15,-2.7 -2,-0.4 2,-0.5 -0.881 28.0-145.7-128.9 161.2 18.7 46.2 -6.7 74 244 A T E -OP 87 105C 3 31,-2.1 31,-2.8 -2,-0.3 2,-0.5 -0.991 26.6-168.4-119.2 118.4 21.0 48.4 -8.6 75 245 A V E -OP 86 104C 0 11,-3.1 11,-3.3 -2,-0.5 2,-0.4 -0.928 3.6-162.8-113.2 133.6 24.5 47.6 -7.5 76 246 A T E -OP 85 103C 3 27,-2.3 27,-1.8 -2,-0.5 2,-0.4 -0.963 2.4-167.5-117.8 133.9 27.5 49.7 -8.5 77 247 A V E -OP 84 102C 2 7,-2.8 7,-1.8 -2,-0.4 2,-0.4 -0.974 9.1-174.4-120.6 131.9 31.1 48.6 -8.3 78 248 A A E +OP 83 101C 22 23,-3.0 23,-1.6 -2,-0.4 5,-0.2 -0.978 12.3 175.3-131.6 141.8 34.0 51.0 -8.6 79 249 A N - 0 0 43 3,-2.4 3,-0.1 -2,-0.4 21,-0.1 -0.455 57.6 -71.8-115.8-164.9 37.8 50.8 -8.9 80 250 A G S S+ 0 0 76 1,-0.2 3,-0.1 -2,-0.2 20,-0.0 0.757 127.9 18.9 -61.7 -35.7 40.3 53.5 -9.4 81 251 A N S S+ 0 0 162 1,-0.1 2,-0.3 115,-0.1 -1,-0.2 0.401 120.5 41.9-117.5 0.7 39.5 54.1 -13.0 82 252 A N - 0 0 65 -3,-0.1 -3,-2.4 114,-0.1 2,-0.3 -0.972 47.2-163.1-154.0 161.4 36.1 52.7 -13.7 83 253 A R E -O 78 0C 138 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.992 5.6-176.3-143.7 143.3 32.5 52.2 -12.6 84 254 A K E -O 77 0C 47 -7,-1.8 -7,-2.8 -2,-0.3 2,-0.4 -0.978 8.0-160.7-145.8 135.4 29.7 49.8 -13.6 85 255 A S E -O 76 0C 11 -2,-0.4 107,-1.9 105,-0.3 2,-0.4 -0.973 10.4-169.6-118.3 133.4 26.2 49.8 -12.3 86 256 A F E -Oq 75 192C 3 -11,-3.3 -11,-3.1 -2,-0.4 2,-0.6 -0.964 22.6-136.4-128.5 130.1 24.0 46.7 -12.6 87 257 A N E -O 74 0C 33 105,-2.4 2,-0.4 -2,-0.4 -13,-0.3 -0.762 32.8-164.1 -77.8 118.0 20.3 46.2 -12.1 88 258 A L E -O 73 0C 1 -15,-2.7 -15,-3.0 -2,-0.6 2,-0.2 -0.950 9.7-168.3-110.7 135.1 20.1 42.9 -10.2 89 259 A D E > -O 72 0C 63 -2,-0.4 3,-2.0 -17,-0.2 -21,-0.3 -0.621 47.3 -63.8-109.2 171.8 17.0 40.8 -9.8 90 260 A E T 3 S+ 0 0 93 -19,-0.6 -21,-0.2 1,-0.3 -1,-0.1 -0.257 124.1 27.6 -64.2 133.5 16.6 37.8 -7.5 91 261 A G T 3 S+ 0 0 4 -23,-2.4 113,-2.5 1,-0.4 2,-0.4 0.435 92.3 118.7 98.6 -4.7 18.9 34.9 -8.4 92 262 A H E < - 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