==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 19-DEC-12 4IHR . COMPND 2 MOLECULE: KIROLA; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINIDIA DELICIOSA; . AUTHOR T.OSINSKI,K.A.MAJOREK,M.A.CIARDIELLO,M.CHRUSZCZ,W.MINOR . 149 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 73.2 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 . 58 38.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 1 0.7 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 . 9 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 0 1 0 0 0 0 1 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 . 0 0 0 0 1 1 0 2 0 2 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 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 2 A D 0 0 143 0, 0.0 120,-0.0 0, 0.0 119,-0.0 0.000 360.0 360.0 360.0 102.5 5.0 -21.9 -24.2 2 3 A L + 0 0 52 119,-0.1 119,-2.9 120,-0.1 2,-0.3 0.564 360.0 98.4 -84.2 -9.7 2.4 -19.6 -22.7 3 4 A S E +A 120 0A 82 117,-0.2 2,-0.3 115,-0.0 117,-0.2 -0.568 51.6 173.9 -85.5 143.5 -0.3 -22.2 -23.3 4 5 A G E -A 119 0A 19 115,-3.0 115,-2.7 -2,-0.3 2,-0.3 -0.945 18.2-159.6-143.5 163.0 -1.4 -24.5 -20.5 5 6 A K E -A 118 0A 123 -2,-0.3 2,-0.4 113,-0.2 113,-0.2 -0.996 4.2-172.9-142.4 148.4 -3.9 -27.1 -19.5 6 7 A M E -A 117 0A 36 111,-2.0 111,-3.2 -2,-0.3 2,-0.4 -0.998 2.6-173.9-140.5 143.0 -5.3 -28.5 -16.3 7 8 A V E +A 116 0A 79 -2,-0.4 2,-0.4 109,-0.2 109,-0.2 -0.997 5.5 173.9-138.0 132.7 -7.5 -31.4 -15.7 8 9 A K E -A 115 0A 31 107,-2.5 107,-3.1 -2,-0.4 2,-0.5 -0.982 8.4-168.0-140.9 123.6 -9.2 -32.6 -12.4 9 10 A Q E -A 114 0A 99 -2,-0.4 2,-0.4 105,-0.3 105,-0.3 -0.947 8.7-173.4-110.6 133.4 -11.7 -35.3 -12.1 10 11 A V E -A 113 0A 30 103,-2.8 103,-2.7 -2,-0.5 2,-0.2 -0.989 23.2-125.5-130.0 146.9 -13.6 -35.9 -8.9 11 12 A E E -A 112 0A 113 -2,-0.4 2,-0.3 101,-0.2 101,-0.3 -0.530 31.8-148.9 -79.2 139.3 -15.9 -38.5 -7.8 12 13 A I E -A 111 0A 18 99,-2.6 99,-0.6 -2,-0.2 4,-0.1 -0.873 22.6-153.4-120.6 155.1 -19.2 -37.3 -6.6 13 14 A L S S+ 0 0 90 -2,-0.3 -1,-0.1 97,-0.1 3,-0.1 0.706 79.0 68.8 -85.9 -25.6 -21.8 -38.4 -4.1 14 15 A S S S- 0 0 36 1,-0.1 2,-0.5 2,-0.0 -2,-0.1 -0.133 99.9 -71.8 -96.5 177.5 -24.8 -36.8 -5.8 15 16 A D > - 0 0 82 1,-0.2 4,-2.0 129,-0.1 3,-0.3 -0.655 30.5-150.2 -76.0 123.3 -26.6 -37.6 -9.1 16 17 A G H > S+ 0 0 0 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.769 97.0 61.9 -57.8 -30.8 -24.5 -36.7 -12.2 17 18 A I H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.928 106.6 44.5 -65.8 -40.3 -27.8 -36.0 -14.1 18 19 A V H > S+ 0 0 77 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.928 110.3 55.2 -70.0 -36.6 -28.6 -33.3 -11.6 19 20 A F H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.927 111.0 44.0 -62.9 -45.6 -25.1 -31.9 -11.8 20 21 A Y H X S+ 0 0 18 -4,-2.5 4,-2.8 2,-0.2 5,-0.4 0.896 107.8 59.3 -65.8 -38.4 -25.3 -31.6 -15.5 21 22 A E H X>S+ 0 0 83 -4,-2.3 4,-2.0 -5,-0.2 5,-1.6 0.912 109.1 46.5 -48.5 -48.7 -28.8 -30.1 -15.3 22 23 A I H X5S+ 0 0 2 -4,-2.3 4,-0.5 3,-0.2 -2,-0.2 0.956 115.0 43.8 -63.2 -49.8 -27.2 -27.3 -13.2 23 24 A F H <5S+ 0 0 11 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.810 125.5 32.0 -69.5 -31.8 -24.3 -26.7 -15.5 24 25 A R H <5S+ 0 0 57 -4,-2.8 25,-0.7 -5,-0.2 3,-0.2 0.940 136.7 8.5 -84.9 -62.1 -26.3 -26.8 -18.6 25 26 A Y H <5S+ 0 0 99 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.1 0.626 131.0 34.6-100.0 -27.9 -29.8 -25.5 -17.9 26 27 A R ><< + 0 0 100 -5,-1.6 3,-2.3 -4,-0.5 4,-0.2 -0.232 59.2 148.0-132.0 49.6 -29.9 -24.0 -14.3 27 28 A L T > + 0 0 4 1,-0.3 3,-2.2 -3,-0.2 4,-0.3 0.786 65.5 72.6 -62.4 -29.8 -26.5 -22.5 -13.7 28 29 A Y T >> S+ 0 0 86 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.704 80.2 75.1 -54.2 -23.9 -28.0 -19.8 -11.4 29 30 A L H X> S+ 0 0 24 -3,-2.3 4,-2.1 1,-0.2 3,-0.7 0.765 79.1 73.0 -64.6 -20.0 -28.6 -22.5 -8.8 30 31 A I H <> S+ 0 0 6 -3,-2.2 4,-2.5 1,-0.3 8,-0.3 0.823 88.6 60.5 -66.2 -26.9 -24.8 -22.4 -8.0 31 32 A S H <4 S+ 0 0 29 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.823 110.1 42.5 -63.9 -34.7 -25.4 -19.0 -6.3 32 33 A E H << S+ 0 0 99 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.879 119.8 40.6 -71.3 -44.4 -27.7 -20.8 -3.9 33 34 A M H < S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.726 130.0 25.4 -83.0 -24.3 -25.6 -23.9 -3.4 34 35 A S S >X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 3,-1.0 -0.451 72.0 158.0-135.2 57.8 -22.2 -22.2 -3.1 35 36 A P T 34 + 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.754 69.8 58.3 -68.4 -22.2 -23.0 -18.7 -2.0 36 37 A V T 34 S+ 0 0 108 1,-0.2 3,-0.1 -3,-0.1 -5,-0.1 0.881 118.4 32.3 -64.7 -37.8 -19.6 -17.9 -0.5 37 38 A N T <4 S+ 0 0 10 -3,-1.0 23,-2.2 1,-0.2 2,-0.5 0.809 122.8 41.6 -89.8 -40.7 -18.0 -18.5 -3.9 38 39 A I E < +B 59 0A 7 -4,-2.6 21,-0.2 -8,-0.3 -1,-0.2 -0.971 49.8 171.7-121.3 118.8 -20.7 -17.4 -6.4 39 40 A Q E + 0 0 77 19,-2.5 2,-0.3 -2,-0.5 20,-0.2 0.634 70.0 3.0 -97.4 -21.6 -22.8 -14.3 -5.9 40 41 A G E -B 58 0A 9 18,-1.6 18,-2.6 2,-0.0 2,-0.4 -0.935 42.7-169.4-166.3 141.7 -24.6 -14.2 -9.2 41 42 A V E -B 57 0A 8 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.943 25.9-177.8-131.2 112.0 -25.0 -16.0 -12.5 42 43 A D E -B 56 0A 73 14,-2.9 14,-3.0 -2,-0.4 2,-0.3 -0.951 23.4-136.9-124.0 118.3 -26.9 -13.7 -14.9 43 44 A L E +B 55 0A 51 -2,-0.5 12,-0.2 12,-0.2 3,-0.1 -0.516 24.0 175.2 -70.3 129.2 -27.9 -14.7 -18.4 44 45 A L E + 0 0 77 10,-3.6 2,-0.3 1,-0.4 11,-0.2 0.731 63.0 9.3-104.1 -39.8 -27.2 -11.8 -20.8 45 46 A E E S+B 54 0A 132 9,-1.5 9,-2.2 2,-0.0 -1,-0.4 -0.992 107.0 5.7-144.6 149.5 -28.1 -13.3 -24.2 46 47 A G S S- 0 0 46 -2,-0.3 2,-0.3 7,-0.2 6,-0.1 -0.517 91.0 -55.3 85.9-149.4 -29.7 -16.4 -25.5 47 48 A N > - 0 0 116 -2,-0.2 3,-1.5 4,-0.1 6,-0.2 -0.970 55.8 -93.0-135.8 142.4 -31.3 -19.1 -23.4 48 49 A W T 3 S+ 0 0 74 -2,-0.3 -23,-0.2 1,-0.2 3,-0.1 -0.294 110.7 22.5 -51.3 137.1 -30.0 -21.2 -20.6 49 50 A G T 3 S+ 0 0 4 -25,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.564 98.5 114.5 84.2 13.9 -28.6 -24.4 -21.8 50 51 A T S X S- 0 0 52 -3,-1.5 3,-1.9 -26,-0.1 -1,-0.2 -0.898 72.4-104.9-117.6 145.5 -27.9 -23.4 -25.4 51 52 A V T 3 S+ 0 0 88 -2,-0.3 22,-0.2 1,-0.3 -4,-0.1 -0.391 108.8 27.8 -58.8 133.5 -24.7 -23.0 -27.4 52 53 A G T 3 S+ 0 0 36 20,-3.2 -1,-0.3 1,-0.4 21,-0.1 0.282 83.0 140.5 90.8 -4.9 -24.0 -19.3 -27.8 53 54 A S < - 0 0 1 -3,-1.9 19,-2.7 -6,-0.2 2,-0.5 -0.366 45.0-139.8 -65.0 150.2 -25.7 -18.2 -24.6 54 55 A V E -BC 45 71A 27 -9,-2.2 -10,-3.6 17,-0.2 -9,-1.5 -0.970 20.5-172.9-122.0 123.2 -23.8 -15.4 -22.8 55 56 A I E -BC 43 70A 6 15,-2.5 15,-3.0 -2,-0.5 2,-0.4 -0.947 14.6-148.7-125.8 140.2 -23.6 -15.6 -19.0 56 57 A F E -BC 42 69A 59 -14,-3.0 -14,-2.9 -2,-0.4 2,-0.4 -0.900 14.9-159.3-110.6 131.0 -22.2 -13.1 -16.5 57 58 A F E -BC 41 68A 22 11,-3.1 11,-1.8 -2,-0.4 2,-0.5 -0.941 11.3-166.4-114.6 129.9 -20.6 -14.4 -13.2 58 59 A K E +BC 40 67A 97 -18,-2.6 -19,-2.5 -2,-0.4 -18,-1.6 -0.983 33.1 155.6-107.0 119.8 -20.1 -12.5 -10.0 59 60 A Y E -BC 38 66A 14 7,-2.5 7,-3.5 -2,-0.5 2,-0.4 -0.874 37.2-131.9-144.4 169.8 -17.8 -14.5 -7.8 60 61 A T E - C 0 65A 24 -23,-2.2 2,-0.4 -2,-0.3 5,-0.2 -0.999 16.4-178.2-133.0 130.3 -15.3 -14.3 -5.0 61 62 A I E > S- C 0 64A 20 3,-2.5 3,-2.0 -2,-0.4 71,-0.1 -0.995 78.3 -10.2-130.5 127.9 -11.8 -15.8 -4.9 62 63 A D T 3 S- 0 0 144 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.866 130.9 -55.1 46.3 43.6 -9.6 -15.4 -1.8 63 64 A G T 3 S+ 0 0 73 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.457 114.1 117.5 75.6 3.1 -12.1 -12.9 -0.4 64 65 A K E < -C 61 0A 56 -3,-2.0 -3,-2.5 0, 0.0 2,-0.2 -0.903 64.4-125.0-110.0 132.7 -11.9 -10.7 -3.5 65 66 A E E +C 60 0A 159 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.477 35.6 172.9 -74.6 131.8 -14.8 -10.0 -5.8 66 67 A K E -C 59 0A 59 -7,-3.5 -7,-2.5 -2,-0.2 2,-0.3 -0.898 16.4-151.3-132.6 163.9 -14.4 -10.8 -9.5 67 68 A T E -C 58 0A 53 -2,-0.3 23,-1.7 -9,-0.2 24,-0.4 -0.950 10.2-179.8-133.2 155.2 -16.5 -10.9 -12.6 68 69 A A E -CD 57 89A 6 -11,-1.8 -11,-3.1 -2,-0.3 2,-0.5 -0.970 16.7-151.5-145.8 147.1 -16.4 -12.8 -15.9 69 70 A K E -CD 56 88A 59 19,-2.5 18,-3.4 -2,-0.3 19,-1.6 -0.979 26.5-176.0-115.7 129.4 -18.6 -12.9 -18.9 70 71 A D E -CD 55 86A 11 -15,-3.0 -15,-2.5 -2,-0.5 2,-0.4 -0.871 20.7-146.1-123.9 153.3 -18.6 -16.2 -20.7 71 72 A I E -CD 54 85A 52 14,-2.3 14,-2.8 -2,-0.3 2,-1.0 -0.963 26.7-122.3-112.7 137.8 -20.1 -17.7 -23.9 72 73 A V E + D 0 84A 6 -19,-2.7 -20,-3.2 -2,-0.4 12,-0.2 -0.736 34.7 178.4 -75.7 102.7 -21.2 -21.3 -24.0 73 74 A E E + 0 0 87 10,-2.2 2,-0.3 -2,-1.0 -1,-0.2 0.733 59.0 8.5 -79.4 -27.9 -19.0 -22.5 -26.9 74 75 A A E - D 0 83A 39 9,-1.2 9,-2.7 -3,-0.1 2,-0.3 -0.992 51.8-169.1-158.5 148.1 -20.1 -26.1 -27.0 75 76 A I E - D 0 82A 40 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.989 1.1-176.0-137.3 134.7 -22.6 -28.6 -25.6 76 77 A D E > - D 0 81A 72 5,-2.5 5,-2.6 -2,-0.3 4,-0.5 -0.927 1.9-175.2-129.0 104.1 -22.5 -32.4 -25.9 77 78 A E T 5S+ 0 0 124 -2,-0.4 3,-0.1 3,-0.2 -1,-0.1 0.786 81.9 57.5 -71.2 -24.6 -25.6 -33.9 -24.3 78 79 A E T 5S+ 0 0 139 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.869 116.5 32.6 -76.4 -35.7 -24.5 -37.4 -24.8 79 80 A T T 5S- 0 0 60 -3,-0.2 25,-0.4 2,-0.1 -1,-0.2 0.331 108.7-121.0 -98.0 5.1 -21.3 -37.0 -22.8 80 81 A K T 5 + 0 0 41 -4,-0.5 24,-2.4 1,-0.2 2,-0.4 0.952 61.6 148.9 52.6 52.9 -22.8 -34.4 -20.4 81 82 A S E < -DE 76 103A 17 -5,-2.6 -5,-2.5 22,-0.2 2,-0.3 -0.922 28.7-178.6-120.1 146.7 -20.3 -31.8 -21.4 82 83 A V E -DE 75 102A 2 20,-2.0 20,-2.7 -2,-0.4 2,-0.5 -0.987 13.1-152.1-140.7 136.3 -20.5 -28.0 -21.5 83 84 A T E -DE 74 101A 18 -9,-2.7 -10,-2.2 -2,-0.3 -9,-1.2 -0.962 6.9-164.1-115.7 121.1 -17.7 -25.6 -22.6 84 85 A F E -DE 72 100A 10 16,-3.4 16,-2.6 -2,-0.5 2,-0.5 -0.895 3.0-159.7-104.4 129.9 -17.4 -22.0 -21.4 85 86 A K E -DE 71 99A 86 -14,-2.8 -14,-2.3 -2,-0.5 2,-0.5 -0.945 18.1-134.1-107.3 124.5 -15.2 -19.4 -23.0 86 87 A I E +D 70 0A 9 12,-2.7 12,-0.4 -2,-0.5 -16,-0.3 -0.675 30.6 169.5 -73.6 123.0 -14.2 -16.5 -20.9 87 88 A V E + 0 0 49 -18,-3.4 2,-0.3 -2,-0.5 -17,-0.2 0.758 64.2 7.0-110.6 -29.0 -14.7 -13.4 -23.1 88 89 A E E S+D 69 0A 114 -19,-1.6 -19,-2.5 3,-0.0 -1,-0.4 -0.976 84.2 79.2-144.2 157.6 -14.3 -10.6 -20.5 89 90 A G E > S-D 68 0A 22 -2,-0.3 3,-1.8 -21,-0.3 4,-0.3 -0.721 84.0 -50.4 139.1 177.5 -13.3 -10.3 -16.8 90 91 A D G > S+ 0 0 51 -23,-1.7 3,-2.1 1,-0.3 4,-0.3 0.849 122.1 64.0 -51.6 -39.1 -10.6 -10.3 -14.2 91 92 A L G >> S+ 0 0 23 -24,-0.4 4,-2.5 1,-0.3 3,-1.4 0.732 89.0 68.7 -59.2 -25.7 -9.0 -13.4 -15.7 92 93 A M G <4 S+ 0 0 73 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.549 85.8 68.8 -73.4 -6.9 -8.2 -11.6 -18.9 93 94 A E G <4 S+ 0 0 147 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.642 117.5 22.9 -79.0 -16.5 -5.7 -9.5 -17.0 94 95 A L T <4 S+ 0 0 78 -3,-1.4 28,-2.8 -4,-0.3 29,-0.5 0.674 124.1 48.4-113.1 -33.7 -3.6 -12.7 -16.7 95 96 A Y E < - 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