==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 28-JAN-08 3C3V . COMPND 2 MOLECULE: ARACHIN ARAH3 ISOFORM; . SOURCE 2 ORGANISM_SCIENTIFIC: ARACHIS HYPOGAEA; . AUTHOR T.JIN,Y.ZHANG . 398 4 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 67.6 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 . 131 32.9 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 . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 37 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 1 2 1 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 2 7 3 2 5 2 1 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 . 1 0 0 0 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 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 21 A I 0 0 63 0, 0.0 352,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 157.8 64.2 -40.8 11.1 2 22 A S - 0 0 34 350,-0.2 2,-0.4 351,-0.1 269,-0.1 -0.943 360.0-158.2-157.1 157.3 65.1 -42.4 7.8 3 23 A F + 0 0 136 -2,-0.3 143,-2.8 2,-0.0 144,-0.3 -0.949 34.0 154.0-136.4 110.1 68.2 -42.7 5.6 4 24 A R B -A 145 0A 52 -2,-0.4 2,-0.3 141,-0.3 141,-0.2 -0.938 47.2-100.2-138.2 154.4 67.3 -43.4 2.0 5 25 A Q - 0 0 124 139,-3.0 139,-0.1 -2,-0.3 -2,-0.0 -0.600 43.5-118.4 -66.5 132.9 68.7 -42.9 -1.5 6 26 A Q - 0 0 169 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.477 32.6-105.4 -71.1 151.2 67.1 -39.9 -3.3 7 27 A P - 0 0 42 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.301 44.7 -84.4 -72.2 161.0 65.2 -40.6 -6.6 8 28 A E > - 0 0 145 1,-0.2 3,-2.4 36,-0.1 4,-0.3 -0.092 68.4 -61.4 -61.9 164.0 66.7 -39.8 -10.0 9 29 A E T 3 S+ 0 0 167 1,-0.3 -1,-0.2 2,-0.1 4,-0.0 -0.169 122.5 2.5 -50.4 133.9 66.3 -36.3 -11.6 10 30 A N T > S+ 0 0 83 -3,-0.1 3,-1.9 1,-0.1 -1,-0.3 0.396 87.0 129.3 70.8 2.9 62.7 -35.3 -12.1 11 31 A A T < S+ 0 0 9 -3,-2.4 34,-0.3 1,-0.3 -2,-0.1 0.768 77.9 43.9 -60.7 -28.2 61.2 -38.5 -10.5 12 32 A a T 3 S+ 0 0 37 -4,-0.3 2,-0.6 33,-0.1 -1,-0.3 0.128 88.3 102.2-105.7 15.4 58.9 -36.5 -8.2 13 33 A Q < - 0 0 127 -3,-1.9 2,-0.4 297,-0.1 3,-0.1 -0.917 58.7-170.8-100.0 109.3 57.8 -34.0 -10.9 14 34 A F - 0 0 14 -2,-0.6 3,-0.2 1,-0.2 296,-0.1 -0.896 39.3-173.1-115.4 132.3 54.4 -35.1 -12.0 15 35 A Q S S- 0 0 165 -2,-0.4 2,-0.3 1,-0.4 -1,-0.2 0.894 94.2 -8.9 -73.7 -52.8 52.0 -34.1 -14.8 16 36 A R - 0 0 114 -3,-0.1 2,-0.5 301,-0.0 -1,-0.4 -0.997 66.7-132.4-143.2 148.3 49.5 -36.3 -13.1 17 37 A L - 0 0 0 299,-2.5 2,-0.4 -2,-0.3 301,-0.2 -0.876 26.8-154.6 -92.6 128.2 49.6 -38.8 -10.2 18 38 A N - 0 0 59 -2,-0.5 310,-0.4 299,-0.1 2,-0.2 -0.878 13.7-128.1-104.3 135.6 47.9 -42.1 -11.0 19 39 A A - 0 0 22 -2,-0.4 2,-0.4 308,-0.1 308,-0.2 -0.511 34.5-144.0 -68.1 149.9 46.4 -44.6 -8.5 20 40 A Q B -B 326 0B 35 306,-2.4 306,-2.1 -2,-0.2 16,-0.0 -0.961 18.6-168.2-127.6 143.5 47.8 -48.0 -9.1 21 41 A R - 0 0 123 -2,-0.4 16,-0.3 304,-0.2 304,-0.1 -0.844 46.3 -78.6-118.3 161.0 46.4 -51.6 -9.0 22 42 A P - 0 0 18 0, 0.0 14,-0.3 0, 0.0 -1,-0.1 -0.200 34.9-165.8 -59.7 153.0 48.5 -54.8 -9.1 23 43 A D + 0 0 73 12,-2.5 2,-0.3 1,-0.2 13,-0.1 0.338 65.2 41.7-120.8 4.6 49.7 -55.8 -12.6 24 44 A N E -H 35 0C 50 11,-1.0 11,-2.1 2,-0.0 2,-0.4 -0.976 55.2-161.6-153.6 142.9 50.8 -59.4 -11.9 25 45 A R E -H 34 0C 112 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.994 6.8-158.1-125.9 130.2 49.7 -62.5 -10.0 26 46 A I E -H 33 0C 30 7,-3.0 7,-1.9 -2,-0.4 2,-0.3 -0.948 20.8-142.3-112.5 116.1 52.0 -65.5 -9.1 27 47 A E E +H 32 0C 83 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.573 25.0 168.1 -82.2 135.7 50.0 -68.6 -8.5 28 48 A S E > -H 31 0C 15 3,-2.1 3,-0.8 -2,-0.3 182,-0.2 -0.912 46.5 -89.9-136.8 177.8 50.8 -71.2 -5.8 29 49 A E T 3 S+ 0 0 91 180,-1.5 184,-0.2 183,-0.9 181,-0.1 0.908 117.6 17.9 -53.1 -64.2 49.3 -74.1 -4.2 30 50 A G T 3 S- 0 0 1 182,-0.7 26,-2.6 30,-0.2 2,-0.3 0.152 131.9 -24.2-106.6 35.9 47.6 -72.5 -1.3 31 51 A G E < -HI 28 55C 0 -3,-0.8 -3,-2.1 181,-0.3 2,-0.3 -0.976 65.0-109.0 169.9-151.4 47.3 -68.9 -2.3 32 52 A Y E -HI 27 54C 31 22,-1.6 22,-2.9 -2,-0.3 2,-0.4 -0.979 8.6-131.8-160.5 170.6 49.0 -66.2 -4.5 33 53 A I E -HI 26 53C 5 -7,-1.9 -7,-3.0 -2,-0.3 2,-0.4 -0.989 17.8-163.2-131.4 127.6 51.1 -63.0 -4.5 34 54 A E E -HI 25 52C 12 18,-2.8 18,-2.7 -2,-0.4 2,-0.3 -0.940 8.9-157.7-112.0 142.6 50.2 -60.0 -6.6 35 55 A T E -HI 24 51C 0 -11,-2.1 -12,-2.5 -2,-0.4 -11,-1.0 -0.910 12.2-138.6-121.3 143.4 52.8 -57.2 -7.3 36 56 A W - 0 0 1 14,-2.4 14,-0.4 -2,-0.3 -16,-0.0 -0.807 41.6-101.1 -89.9 142.0 52.5 -53.5 -8.3 37 57 A N > - 0 0 32 -2,-0.4 3,-0.9 -16,-0.3 6,-0.2 -0.519 30.0-161.7 -65.0 115.9 54.9 -52.5 -11.0 38 58 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.580 83.2 70.8 -77.8 -5.8 57.8 -50.7 -9.1 39 59 A N T 3 S+ 0 0 77 4,-0.1 2,-0.1 5,-0.1 -2,-0.1 0.520 72.8 108.2 -85.9 -10.7 58.9 -49.0 -12.4 40 60 A N S X> S- 0 0 55 -3,-0.9 4,-2.3 1,-0.1 3,-0.8 -0.382 84.8-112.4 -67.5 148.8 55.8 -46.7 -12.5 41 61 A Q H 3> S+ 0 0 61 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.829 114.1 57.7 -55.5 -39.8 56.6 -43.1 -11.7 42 62 A E H 3> S+ 0 0 7 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.882 113.1 40.0 -58.7 -44.1 54.7 -43.1 -8.4 43 63 A F H <>>S+ 0 0 1 -3,-0.8 4,-1.7 -6,-0.2 5,-1.5 0.794 111.7 55.3 -75.9 -36.5 56.8 -45.9 -7.0 44 64 A E H <5S+ 0 0 70 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.919 110.2 48.4 -56.4 -47.8 60.1 -44.6 -8.5 45 65 A a H <5S+ 0 0 0 -4,-2.7 -2,-0.2 -34,-0.3 -1,-0.1 0.943 115.4 42.2 -54.9 -54.5 59.4 -41.3 -6.6 46 66 A A H <5S- 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.698 101.6-136.7 -69.1 -19.6 58.6 -43.1 -3.3 47 67 A G T <5 + 0 0 4 -4,-1.7 97,-2.0 1,-0.3 2,-0.3 0.836 64.9 109.2 66.9 36.4 61.6 -45.5 -3.8 48 68 A V < - 0 0 4 -5,-1.5 2,-0.3 95,-0.2 -1,-0.3 -0.898 57.7-140.9-137.4 165.8 59.5 -48.5 -2.7 49 69 A A E - J 0 141C 0 92,-2.6 92,-3.1 -2,-0.3 2,-0.4 -0.946 17.2-155.3-127.6 150.4 57.8 -51.7 -4.0 50 70 A L E + J 0 140C 0 -14,-0.4 -14,-2.4 -2,-0.3 2,-0.3 -0.975 15.1 168.3-131.3 143.2 54.4 -53.1 -3.0 51 71 A S E -IJ 35 139C 5 88,-1.9 88,-3.0 -2,-0.4 2,-0.4 -0.950 20.9-143.2-147.5 166.9 52.9 -56.6 -3.0 52 72 A R E -IJ 34 138C 41 -18,-2.7 -18,-2.8 -2,-0.3 2,-0.4 -0.999 12.5-160.7-138.3 131.3 49.9 -58.4 -1.7 53 73 A L E -IJ 33 137C 13 84,-2.5 84,-2.0 -2,-0.4 2,-0.5 -0.920 2.8-163.8-116.2 136.7 49.8 -62.0 -0.4 54 74 A V E -IJ 32 136C 3 -22,-2.9 -22,-1.6 -2,-0.4 2,-0.5 -0.986 7.6-174.0-120.3 128.0 46.7 -64.2 0.0 55 75 A L E -IJ 31 135C 0 80,-2.2 80,-2.9 -2,-0.5 -24,-0.2 -0.972 10.0-153.8-123.6 118.0 47.1 -67.4 2.1 56 76 A R > - 0 0 102 -26,-2.6 3,-2.3 -2,-0.5 73,-0.4 -0.249 48.6 -54.1 -81.2 173.9 44.2 -69.8 2.3 57 77 A R T 3 S+ 0 0 120 75,-0.4 -1,-0.2 1,-0.3 73,-0.2 -0.210 128.4 6.0 -49.1 135.6 43.5 -72.2 5.3 58 78 A N T 3 S+ 0 0 37 71,-2.2 157,-3.4 1,-0.2 2,-0.3 0.608 94.5 142.1 61.9 17.8 46.6 -74.3 6.0 59 79 A A E < -N 214 0D 0 -3,-2.3 70,-1.9 70,-0.4 2,-0.5 -0.687 35.4-158.4 -92.2 140.8 48.8 -72.4 3.4 60 80 A L E -NO 213 128D 32 153,-3.0 153,-2.3 -2,-0.3 2,-0.8 -0.982 13.1-147.7-118.7 123.0 52.5 -71.7 4.4 61 81 A R E -NO 212 127D 14 66,-2.7 66,-1.4 -2,-0.5 151,-0.2 -0.834 37.1-128.3 -89.0 112.6 54.5 -68.9 2.7 62 82 A R E - 0 0 32 149,-2.2 63,-0.1 -2,-0.8 98,-0.1 -0.217 35.3 -75.6 -71.4 152.9 57.8 -70.7 2.9 63 83 A P E + 0 0 40 0, 0.0 96,-2.6 0, 0.0 97,-0.5 -0.099 60.1 153.7 -60.8 145.5 60.8 -68.9 4.4 64 84 A F E -PO 158 125D 3 61,-1.6 61,-2.7 94,-0.2 2,-0.3 -0.978 25.6-149.6-156.4 160.8 62.6 -66.1 2.6 65 85 A Y E -P 157 0D 66 92,-1.9 92,-3.5 -2,-0.3 2,-0.3 -0.870 13.7-149.8-132.8 163.2 64.7 -63.0 3.4 66 86 A S - 0 0 3 57,-0.3 56,-2.9 54,-0.3 57,-0.3 -0.979 22.4-129.3-136.8 153.7 65.1 -59.8 1.4 67 87 A N S S+ 0 0 12 88,-0.4 83,-0.2 -2,-0.3 82,-0.1 0.499 95.4 59.7 -69.5 -16.5 67.7 -57.0 0.9 68 88 A A S S- 0 0 1 87,-0.3 54,-0.2 80,-0.1 75,-0.2 -0.940 93.6-107.9-121.1 144.3 65.3 -54.3 1.7 69 89 A P - 0 0 0 0, 0.0 73,-2.8 0, 0.0 2,-0.4 -0.346 38.2-153.3 -63.9 148.7 63.4 -53.8 5.0 70 90 A Q E -KL 119 141C 3 49,-2.3 49,-3.0 71,-0.2 2,-0.4 -0.955 18.6-160.5-125.3 151.9 59.6 -54.6 4.9 71 91 A E E -KL 118 140C 0 69,-2.2 69,-3.0 -2,-0.4 2,-0.5 -0.995 17.7-164.5-120.9 130.5 56.5 -53.6 6.7 72 92 A I E -KL 117 139C 4 45,-2.7 45,-3.1 -2,-0.4 2,-0.5 -0.973 3.6-158.9-119.4 127.5 53.5 -56.1 6.3 73 93 A F E -KL 116 138C 0 65,-3.0 65,-2.7 -2,-0.5 2,-0.9 -0.933 14.2-138.0-105.7 132.6 50.0 -55.1 7.2 74 94 A I E + L 0 137C 0 41,-2.6 40,-3.6 -2,-0.5 63,-0.2 -0.782 23.6 177.1 -93.8 101.2 47.4 -57.9 8.0 75 95 A Q E - 0 0 38 61,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.890 68.0 -4.8 -72.5 -38.9 44.3 -56.7 6.2 76 96 A Q E S+ L 0 136C 73 60,-1.5 60,-2.2 37,-0.1 -1,-0.3 -0.987 101.1 31.4-154.5 154.6 42.3 -59.8 7.1 77 97 A G - 0 0 6 -2,-0.3 2,-0.3 58,-0.2 36,-0.2 -0.196 58.1-110.4 96.3 179.1 42.8 -63.1 8.8 78 98 A R + 0 0 116 55,-0.4 52,-0.5 34,-0.2 53,-0.4 -0.963 43.6 120.0-155.2 157.8 44.9 -64.6 11.6 79 99 A G E -QR 111 129D 0 32,-1.9 32,-2.4 -2,-0.3 2,-0.3 -0.908 52.5 -65.8 173.2-160.1 47.7 -67.1 11.8 80 100 A Y E -QR 110 128D 33 48,-2.2 48,-2.6 -2,-0.3 2,-0.3 -0.950 36.3-178.9-125.1 147.8 51.3 -67.6 12.9 81 101 A F E -QR 109 127D 0 28,-2.5 28,-2.8 -2,-0.3 2,-0.4 -0.962 10.0-155.1-141.0 153.8 54.6 -66.2 11.7 82 102 A G E - R 0 126D 3 44,-1.7 44,-1.8 -2,-0.3 2,-0.4 -0.995 1.7-162.6-120.3 147.0 58.3 -66.6 12.6 83 103 A L E - R 0 125D 6 24,-0.5 2,-0.7 -2,-0.4 42,-0.2 -0.964 16.0-144.3-117.2 136.1 61.2 -64.2 12.1 84 104 A I E - R 0 124D 68 40,-2.3 40,-1.1 -2,-0.4 -2,-0.0 -0.939 11.2-165.9-107.3 105.4 64.7 -65.8 12.3 85 105 A F > - 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