==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 22-AUG-03 1Q9B . COMPND 2 MOLECULE: HEVEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HEVEA BRASILIENSIS; . AUTHOR A.RODRIGUEZ-ROMERO,A.HERNANDEZ-SANTOYO . 43 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 16.3 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 . 1 2.3 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 . 1 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 4.7 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A E 0 0 129 0, 0.0 22,-0.2 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 178.5 16.4 20.6 12.1 2 2 A Q + 0 0 91 20,-3.2 2,-0.3 1,-0.3 21,-0.2 0.612 360.0 0.3-119.5 -24.3 17.8 19.8 8.7 3 3 A a S > S+ 0 0 0 19,-1.5 3,-0.7 16,-0.1 -1,-0.3 -0.963 87.2 32.6-158.8 170.9 15.0 19.2 6.2 4 4 A G B > >S-A 10 0A 5 6,-2.5 5,-3.2 -2,-0.3 3,-2.2 -0.211 108.1 -22.7 75.4-160.4 11.4 18.9 5.5 5 5 A R G > 5S+ 0 0 188 1,-0.3 3,-0.6 3,-0.2 -1,-0.2 0.738 135.0 58.5 -66.0 -19.5 8.6 20.8 7.0 6 6 A Q G < 5S+ 0 0 54 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.464 114.8 37.7 -82.4 -4.6 10.6 21.6 10.1 7 7 A A G X 5S- 0 0 20 -3,-2.2 3,-1.5 3,-0.1 -3,-0.3 -0.262 126.2 -82.9-144.9 47.3 13.3 23.3 7.8 8 8 A G T < 5S- 0 0 82 -3,-0.6 -3,-0.2 1,-0.3 -4,-0.1 0.712 82.9 -63.6 63.2 22.8 11.5 25.2 5.1 9 9 A G T 3 - 0 0 9 4,-0.5 3,-0.7 -2,-0.2 -1,-0.1 -0.512 34.9-109.2 -74.5 149.1 18.9 16.7 2.5 13 13 A P G > S+ 0 0 99 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.277 97.0 24.5 -71.7 164.4 22.3 16.8 0.9 14 14 A N G 3 S- 0 0 147 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.762 126.4 -72.5 50.9 34.5 23.7 13.7 -0.7 15 15 A N G < S+ 0 0 133 -3,-0.7 -1,-0.3 1,-0.2 2,-0.1 0.702 84.1 160.2 60.0 21.6 20.4 12.1 -1.4 16 16 A L < - 0 0 47 -3,-1.9 -4,-0.5 1,-0.1 2,-0.2 -0.402 43.9-104.9 -71.5 154.1 19.7 11.3 2.2 17 17 A c E -B 25 0B 5 8,-2.1 8,-2.3 -2,-0.1 2,-0.7 -0.580 24.4-134.2 -77.2 141.1 16.2 10.6 3.4 18 18 A a E -BC 24 39B 0 21,-2.3 20,-3.2 -2,-0.2 21,-0.9 -0.889 24.7-138.9 -98.2 115.4 14.4 13.3 5.4 19 19 A S > - 0 0 5 4,-3.1 3,-1.8 -2,-0.7 11,-0.2 -0.167 27.4 -99.4 -67.1 167.3 12.7 11.7 8.4 20 20 A Q T 3 S+ 0 0 47 15,-0.6 -1,-0.1 9,-0.5 -15,-0.1 0.664 124.2 51.1 -59.7 -18.5 9.3 12.6 9.7 21 21 A W T 3 S- 0 0 155 2,-0.2 -1,-0.3 -16,-0.0 -18,-0.1 0.374 123.9 -97.8-102.9 2.6 11.0 14.9 12.3 22 22 A G S < S+ 0 0 0 -3,-1.8 -20,-3.2 1,-0.3 -19,-1.5 0.765 79.7 124.8 91.8 26.3 13.2 16.8 10.0 23 23 A W - 0 0 111 -21,-0.2 -4,-3.1 -22,-0.2 2,-0.4 -0.914 55.5-122.9-120.7 147.1 16.6 15.0 10.2 24 24 A b E +B 18 0B 21 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.756 47.9 126.9 -94.3 131.5 18.7 13.5 7.4 25 25 A G E -B 17 0B 11 -8,-2.3 -8,-2.1 -2,-0.4 -13,-0.1 -0.917 52.8-124.7-165.6-174.3 19.7 9.8 7.5 26 26 A S S S+ 0 0 65 -2,-0.3 2,-0.2 -10,-0.2 -8,-0.1 0.317 72.6 88.7-131.9 4.9 19.7 6.5 5.6 27 27 A T S >> S- 0 0 80 -10,-0.1 4,-2.5 5,-0.0 3,-2.1 -0.467 91.5 -87.5-102.0 174.0 18.1 3.9 7.8 28 28 A D H 3> S+ 0 0 115 1,-0.3 4,-2.3 2,-0.2 7,-0.3 0.840 122.1 60.3 -51.2 -41.8 14.4 2.9 8.2 29 29 A E H 34 S+ 0 0 116 1,-0.2 -9,-0.5 2,-0.2 -1,-0.3 0.717 118.4 32.1 -64.5 -18.6 13.5 5.5 10.7 30 30 A Y H <4 S+ 0 0 57 -3,-2.1 8,-0.3 -11,-0.2 -2,-0.2 0.725 129.1 33.3 -99.8 -33.0 14.5 8.1 8.2 31 31 A c H < S+ 0 0 1 -4,-2.5 11,-2.3 -14,-0.1 -3,-0.2 0.605 88.2 98.5-105.2 -16.6 13.6 6.5 4.9 32 32 A S ><> - 0 0 17 -4,-2.3 5,-1.6 -5,-0.3 3,-1.4 -0.579 61.9-142.2 -84.1 138.0 10.6 4.3 5.3 33 33 A P G > 5S+ 0 0 70 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.803 104.9 65.2 -60.7 -25.2 7.1 5.3 4.4 34 34 A D G 3 5S+ 0 0 142 1,-0.3 -5,-0.1 2,-0.1 -6,-0.0 0.776 103.8 46.6 -67.5 -24.6 6.0 3.4 7.5 35 35 A H G < 5S- 0 0 81 -3,-1.4 -15,-0.6 -7,-0.3 -1,-0.3 0.113 122.3-107.8-102.9 19.5 7.9 6.0 9.5 36 36 A N T < 5 - 0 0 105 -3,-1.7 -2,-0.1 1,-0.1 -7,-0.0 0.864 43.9-164.7 58.8 41.1 6.4 8.9 7.5 37 37 A d < - 0 0 19 -5,-1.6 -18,-0.2 1,-0.1 -1,-0.1 -0.262 7.3-155.0 -53.5 138.4 9.6 9.8 5.6 38 38 A Q - 0 0 64 -20,-3.2 2,-0.3 -8,-0.3 -19,-0.1 0.790 61.3 -2.9 -91.0 -34.5 9.2 13.2 4.0 39 39 A S B S+C 18 0B 25 -21,-0.9 -21,-2.3 1,-0.1 -1,-0.3 -0.994 116.2 25.0-160.9 158.1 11.6 13.1 1.1 40 40 A N S S+ 0 0 65 -2,-0.3 -1,-0.1 -23,-0.2 -2,-0.1 0.854 85.1 174.9 53.5 40.3 14.2 11.0 -0.8 41 41 A d - 0 0 53 -4,-0.1 -9,-0.2 1,-0.1 -1,-0.1 -0.278 27.5-146.2 -78.9 162.2 12.4 8.0 0.7 42 42 A K 0 0 118 -11,-2.3 -1,-0.1 -14,-0.1 -5,-0.1 -0.172 360.0 360.0-103.9-164.3 13.0 4.2 0.1 43 43 A D 0 0 201 -11,-0.1 -1,-0.1 -2,-0.1 -12,-0.0 -0.794 360.0 360.0-172.3 360.0 10.3 1.5 0.1