==== 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 18-DEC-12 4IGW . COMPND 2 MOLECULE: KIROLA; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINIDIA DELICIOSA; . AUTHOR M.CHRUSZCZ,M.A.CIARDIELLO,I.GIANGRIECO,T.OSINSKI,W.MINOR . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 75.3 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 . 118 40.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 3 0 0 0 0 2 0 0 0 0 0 0 1 1 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 . 1 0 0 0 2 2 0 4 0 4 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 0 0 0 0 0 0 0 1 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 0 102 0, 0.0 257,-0.3 0, 0.0 119,-0.0 0.000 360.0 360.0 360.0 -59.4 2.8 -15.3 13.2 2 3 A L + 0 0 52 255,-0.1 119,-2.2 119,-0.1 2,-0.2 0.593 360.0 90.3 -85.8 -19.5 6.3 -15.5 14.7 3 4 A S E +A 120 0A 77 117,-0.3 2,-0.3 115,-0.0 117,-0.3 -0.501 57.5 179.5 -75.6 154.3 7.5 -12.6 12.7 4 5 A G E -A 119 0A 20 115,-3.0 115,-2.2 -2,-0.2 2,-0.4 -0.952 21.2-142.2-155.1 172.4 7.2 -9.1 14.1 5 6 A K E -A 118 0A 49 -2,-0.3 2,-0.4 113,-0.2 113,-0.2 -0.999 12.2-175.9-145.1 127.5 7.9 -5.5 13.5 6 7 A M E +A 117 0A 17 111,-2.1 111,-2.7 -2,-0.4 2,-0.3 -0.974 6.2 176.5-134.7 125.9 9.1 -2.7 15.9 7 8 A V E +A 116 0A 22 -2,-0.4 151,-0.5 109,-0.2 2,-0.3 -0.963 5.8 169.7-128.6 138.6 9.5 1.0 15.0 8 9 A K E -AB 115 157A 77 107,-1.9 107,-2.3 -2,-0.3 2,-0.4 -0.927 10.8-166.2-146.9 130.8 10.4 4.0 17.1 9 10 A Q E -A 114 0A 29 147,-0.6 2,-0.4 -2,-0.3 105,-0.2 -0.953 8.0-177.2-118.0 130.4 11.3 7.5 15.9 10 11 A V E -A 113 0A 23 103,-2.5 103,-2.6 -2,-0.4 2,-0.1 -0.995 25.1-120.1-129.2 140.1 12.9 10.2 18.0 11 12 A E E -A 112 0A 85 -2,-0.4 2,-0.4 101,-0.2 101,-0.3 -0.371 24.2-153.4 -67.5 148.2 13.8 13.7 17.3 12 13 A I E -A 111 0A 4 99,-2.3 99,-0.7 2,-0.1 4,-0.1 -0.997 17.8-163.8-131.3 129.0 17.4 14.8 17.6 13 14 A L S S+ 0 0 148 -2,-0.4 -1,-0.1 97,-0.1 3,-0.1 0.719 74.4 84.0 -81.1 -24.7 18.6 18.3 18.3 14 15 A S S S- 0 0 36 1,-0.1 2,-0.3 2,-0.1 97,-0.2 -0.112 103.0 -69.8 -67.0 172.3 22.1 17.3 17.1 15 16 A D > - 0 0 91 1,-0.1 4,-2.2 129,-0.1 5,-0.1 -0.553 39.5-148.4 -72.8 125.4 23.1 17.4 13.3 16 17 A G H > S+ 0 0 0 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.851 94.2 51.1 -68.2 -36.2 21.3 14.7 11.4 17 18 A I H > S+ 0 0 73 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.962 110.3 49.1 -65.4 -49.4 24.0 14.0 8.8 18 19 A V H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.957 111.8 51.3 -51.6 -47.8 26.7 13.7 11.5 19 20 A F H X S+ 0 0 1 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.926 111.6 46.4 -60.4 -45.8 24.4 11.2 13.3 20 21 A Y H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 3,-0.4 0.925 108.4 54.6 -59.6 -47.4 23.9 9.2 10.1 21 22 A E H X>S+ 0 0 53 -4,-3.1 5,-1.8 1,-0.2 4,-1.4 0.814 100.9 61.1 -61.5 -28.0 27.6 9.1 9.3 22 23 A I H <5S+ 0 0 5 -4,-1.8 -1,-0.2 -5,-0.3 4,-0.2 0.952 109.2 41.1 -64.4 -43.8 28.3 7.7 12.7 23 24 A F H <5S+ 0 0 12 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.801 123.9 39.2 -77.2 -26.3 26.2 4.6 12.0 24 25 A R H <5S+ 0 0 53 -4,-1.9 25,-0.7 2,-0.1 3,-0.4 0.949 136.2 6.1 -79.6 -71.0 27.5 4.3 8.5 25 26 A Y T <5S+ 0 0 81 -4,-1.4 3,-0.2 1,-0.2 -3,-0.2 0.774 128.3 42.6 -86.6 -35.6 31.1 5.1 8.7 26 27 A R > < + 0 0 71 -5,-1.8 3,-2.1 -4,-0.2 4,-0.3 -0.195 50.1 141.4-123.8 49.6 32.1 5.5 12.3 27 28 A L G > S+ 0 0 4 -3,-0.4 3,-2.3 1,-0.3 4,-0.4 0.819 70.4 72.7 -54.0 -30.3 30.6 2.9 14.4 28 29 A Y G > S+ 0 0 109 1,-0.3 3,-0.6 -3,-0.2 4,-0.4 0.780 87.8 62.3 -61.3 -23.2 33.9 2.8 16.3 29 30 A L G <> S+ 0 0 37 -3,-2.1 4,-1.9 1,-0.2 3,-0.4 0.672 85.4 79.1 -71.9 -19.6 33.0 6.2 17.9 30 31 A I H <> S+ 0 0 2 -3,-2.3 4,-2.5 -4,-0.3 8,-0.2 0.840 83.3 58.4 -61.6 -38.5 29.9 4.8 19.6 31 32 A S H <4 S+ 0 0 30 -3,-0.6 -1,-0.2 -4,-0.4 7,-0.2 0.843 109.9 43.0 -69.9 -32.4 31.7 3.1 22.5 32 33 A E H 4 S+ 0 0 102 -3,-0.4 -1,-0.2 -4,-0.4 -2,-0.2 0.881 116.1 50.2 -73.4 -38.7 33.3 6.4 23.7 33 34 A M H < S+ 0 0 28 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.814 130.2 16.9 -74.0 -27.7 29.9 8.2 23.1 34 35 A S S >X S+ 0 0 0 -4,-2.5 4,-2.5 4,-0.2 3,-0.7 -0.517 72.2 162.4-140.0 69.2 27.8 5.7 25.0 35 36 A P T 34 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.775 71.9 60.4 -70.5 -23.7 30.3 3.7 27.1 36 37 A V T 34 S+ 0 0 113 1,-0.2 3,-0.1 23,-0.0 24,-0.1 0.901 116.2 32.6 -65.6 -36.2 27.6 2.3 29.5 37 38 A N T <4 S+ 0 0 18 -3,-0.7 23,-2.1 1,-0.2 2,-0.5 0.861 125.1 33.9 -92.5 -39.8 25.8 0.6 26.6 38 39 A I E < -C 59 0A 9 -4,-2.5 21,-0.3 21,-0.2 -1,-0.2 -0.971 50.9-179.9-125.0 119.2 28.6 -0.4 24.2 39 40 A Q E S- 0 0 85 19,-2.5 2,-0.3 -2,-0.5 20,-0.2 0.769 70.2 -3.6 -85.7 -25.7 32.0 -1.4 25.3 40 41 A G E -C 58 0A 14 18,-1.6 18,-2.3 2,-0.0 2,-0.4 -0.949 44.0-155.2-171.4 143.6 33.5 -2.0 21.8 41 42 A V E -C 57 0A 15 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.987 21.0-173.2-125.0 120.8 33.0 -2.1 18.0 42 43 A D E -C 56 0A 81 14,-2.4 14,-2.7 -2,-0.4 2,-0.9 -0.934 22.2-137.1-116.2 134.5 35.4 -4.3 15.9 43 44 A L E +C 55 0A 55 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.802 26.2 173.3 -89.1 106.9 35.6 -4.4 12.2 44 45 A L E + 0 0 85 10,-1.7 2,-0.3 -2,-0.9 11,-0.2 0.829 63.9 9.2 -79.6 -36.7 35.9 -8.1 11.4 45 46 A E E S-C 54 0A 132 9,-1.5 9,-2.0 2,-0.0 -1,-0.2 -1.000 106.0 -0.2-150.4 148.3 35.6 -7.8 7.6 46 47 A G S S- 0 0 54 -2,-0.3 2,-0.3 7,-0.2 6,-0.1 -0.331 90.1 -50.2 75.8-162.6 35.5 -5.2 4.8 47 48 A N > - 0 0 120 4,-0.1 3,-1.4 -2,-0.1 6,-0.2 -0.829 60.5 -94.1-110.8 147.8 35.7 -1.5 5.2 48 49 A W T 3 S+ 0 0 67 -2,-0.3 -23,-0.2 1,-0.2 3,-0.1 -0.371 108.2 23.3 -59.5 137.2 33.8 0.7 7.5 49 50 A G T 3 S+ 0 0 5 -25,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.555 97.0 110.9 88.7 8.4 30.7 2.2 5.9 50 51 A T S X S- 0 0 56 -3,-1.4 3,-1.7 -26,-0.2 2,-0.3 -0.874 73.9-103.6-118.4 149.1 30.2 -0.3 3.1 51 52 A V T 3 S+ 0 0 82 -2,-0.3 22,-0.2 1,-0.2 -4,-0.1 -0.519 109.3 32.6 -65.5 127.1 27.5 -3.0 2.4 52 53 A G T 3 S+ 0 0 40 20,-2.5 -1,-0.2 1,-0.4 21,-0.1 0.229 82.8 135.6 105.1 -12.3 29.0 -6.4 3.3 53 54 A S < - 0 0 2 -3,-1.7 19,-2.1 -6,-0.2 -1,-0.4 -0.381 45.5-144.5 -65.9 146.2 31.1 -5.2 6.1 54 55 A V E -CD 45 71A 14 -9,-2.0 -10,-1.7 17,-0.2 -9,-1.5 -0.950 18.3-170.6-119.9 140.2 30.9 -7.4 9.2 55 56 A I E -CD 43 70A 2 15,-2.8 15,-2.8 -2,-0.4 2,-0.5 -0.976 18.1-145.0-141.1 146.8 31.1 -6.1 12.7 56 57 A F E -CD 42 69A 56 -14,-2.7 -14,-2.4 -2,-0.4 2,-0.4 -0.936 17.0-164.7-117.9 122.3 31.4 -7.2 16.3 57 58 A F E -CD 41 68A 20 11,-2.7 11,-2.2 -2,-0.5 2,-0.6 -0.915 10.9-165.4-108.0 132.1 29.7 -5.4 19.1 58 59 A K E +CD 40 67A 107 -18,-2.3 -19,-2.5 -2,-0.4 -18,-1.6 -0.976 33.2 151.1-109.6 115.4 30.3 -5.8 22.8 59 60 A Y E -CD 38 66A 12 7,-2.4 7,-3.9 -2,-0.6 2,-0.4 -0.870 38.7-128.0-140.2 174.4 27.4 -4.3 24.7 60 61 A T E - D 0 65A 24 -23,-2.1 2,-0.5 -2,-0.3 3,-0.3 -0.962 14.3-170.0-137.6 116.5 25.5 -4.5 28.0 61 62 A I E > S- D 0 64A 19 3,-2.2 3,-2.1 -2,-0.4 71,-0.1 -0.904 80.6 -11.5-107.0 125.3 21.7 -4.8 28.4 62 63 A D T 3 S- 0 0 134 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.906 131.1 -56.1 53.2 39.9 20.2 -4.4 31.9 63 64 A G T 3 S+ 0 0 72 -3,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.649 113.2 122.2 65.9 15.7 23.7 -4.6 33.2 64 65 A K E < -D 61 0A 149 -3,-2.1 -3,-2.2 0, 0.0 -1,-0.2 -0.963 64.2-121.9-112.3 124.9 24.3 -8.0 31.5 65 66 A E E +D 60 0A 167 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.386 39.2 171.5 -66.8 128.8 27.3 -8.3 29.0 66 67 A K E -D 59 0A 59 -7,-3.9 -7,-2.4 -2,-0.2 2,-0.3 -0.872 19.8-148.7-135.7 165.4 26.3 -9.4 25.5 67 68 A T E -D 58 0A 51 -2,-0.3 23,-1.5 -9,-0.2 2,-0.3 -0.993 9.9-174.6-140.5 148.1 27.8 -9.7 22.0 68 69 A A E -DE 57 89A 6 -11,-2.2 -11,-2.7 -2,-0.3 2,-0.5 -0.989 15.5-151.8-142.1 145.3 26.6 -9.5 18.5 69 70 A K E -DE 56 88A 58 19,-2.8 18,-2.9 -2,-0.3 19,-1.3 -0.982 25.7-174.9-117.6 119.8 28.0 -10.0 15.0 70 71 A D E -DE 55 86A 12 -15,-2.8 -15,-2.8 -2,-0.5 2,-0.4 -0.833 18.1-156.7-116.1 148.9 26.3 -7.9 12.3 71 72 A I E -DE 54 85A 41 14,-2.1 14,-2.4 -2,-0.3 2,-0.9 -0.979 27.0-123.4-115.1 140.4 26.6 -7.7 8.5 72 73 A V E + E 0 84A 7 -19,-2.1 -20,-2.5 -2,-0.4 12,-0.2 -0.759 33.2 177.5 -83.4 108.1 25.6 -4.5 6.7 73 74 A E E + 0 0 94 10,-1.6 2,-0.3 -2,-0.9 -1,-0.2 0.715 59.3 3.5 -84.2 -31.1 22.9 -5.7 4.3 74 75 A A E - E 0 83A 44 9,-1.0 9,-3.2 -24,-0.1 2,-0.3 -0.984 51.6-168.1-156.5 155.0 21.9 -2.5 2.7 75 76 A I E - E 0 82A 42 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.964 3.2-169.9-144.9 133.8 22.7 1.2 2.6 76 77 A D E >> - E 0 81A 77 5,-2.5 5,-2.6 -2,-0.3 4,-0.6 -0.972 5.2-170.7-128.5 113.8 20.6 3.9 1.0 77 78 A E T 45S+ 0 0 95 -2,-0.5 -1,-0.1 3,-0.2 5,-0.0 0.828 83.1 62.1 -75.0 -29.4 22.3 7.3 0.7 78 79 A E T 45S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.870 117.2 26.3 -64.8 -43.5 19.1 9.1 -0.3 79 80 A T T 45S- 0 0 63 -3,-0.1 25,-0.5 2,-0.1 -1,-0.2 0.363 108.6-119.8 -99.5 -0.1 17.1 8.3 2.8 80 81 A K T <5 + 0 0 30 -4,-0.6 24,-2.0 1,-0.2 2,-0.4 0.972 59.8 155.6 58.8 59.3 20.2 8.1 4.9 81 82 A S E < -EF 76 103A 17 -5,-2.6 -5,-2.5 22,-0.2 2,-0.4 -0.938 29.5-172.0-127.1 135.0 19.5 4.5 5.9 82 83 A V E -EF 75 102A 3 20,-2.4 20,-2.2 -2,-0.4 2,-0.5 -0.998 11.4-153.5-128.0 130.6 21.7 1.7 7.0 83 84 A T E -EF 74 101A 21 -9,-3.2 -10,-1.6 -2,-0.4 -9,-1.0 -0.918 9.1-167.3-110.1 128.7 20.5 -1.9 7.5 84 85 A F E -EF 72 100A 10 16,-2.9 16,-2.3 -2,-0.5 2,-0.4 -0.868 4.8-157.1-112.4 142.0 22.2 -4.2 9.9 85 86 A K E -EF 71 99A 76 -14,-2.4 -14,-2.1 -2,-0.4 2,-0.5 -0.984 12.1-138.8-121.4 128.6 21.7 -8.0 10.0 86 87 A I E +E 70 0A 7 12,-2.1 12,-0.4 -2,-0.4 -16,-0.2 -0.782 30.9 161.6 -89.5 123.7 22.4 -10.0 13.2 87 88 A V E + 0 0 53 -18,-2.9 2,-0.3 -2,-0.5 -17,-0.2 0.604 66.0 15.1-115.3 -21.9 24.1 -13.3 12.4 88 89 A E E S+E 69 0A 105 -19,-1.3 -19,-2.8 5,-0.0 -1,-0.4 -0.984 83.4 72.4-146.3 160.9 25.5 -14.2 15.8 89 90 A G E > S-E 68 0A 23 -2,-0.3 3,-1.0 -21,-0.3 4,-0.2 -0.698 88.5 -50.8 133.0-176.0 25.2 -13.2 19.3 90 91 A D G > S+ 0 0 44 -23,-1.5 3,-1.9 1,-0.3 4,-0.5 0.831 124.9 62.4 -61.1 -37.0 22.8 -13.4 22.3 91 92 A L G >> S+ 0 0 21 -24,-0.3 4,-2.8 1,-0.3 3,-1.3 0.803 93.0 65.7 -63.6 -25.3 19.8 -12.2 20.3 92 93 A M G <4 S+ 0 0 41 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.569 89.2 67.8 -74.2 -9.0 20.1 -15.2 18.1 93 94 A E G <4 S+ 0 0 138 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.792 115.2 25.6 -67.4 -35.0 19.3 -17.3 21.2 94 95 A L T <4 S+ 0 0 65 -3,-1.3 28,-2.3 -4,-0.5 29,-0.4 0.783 122.4 48.6-101.4 -42.2 15.7 -15.8 21.1 95 96 A Y E < - 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