==== 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 4IGX . COMPND 2 MOLECULE: KIROLA; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINIDIA DELICIOSA; . AUTHOR M.CHRUSZCZ,M.A.CIARDIELLO,I.GIANGRIECO,T.OSINSKI,W.MINOR . 576 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 77.6 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 . 235 40.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 4 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 . 46 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 4 0 0 0 0 4 0 0 0 0 0 1 0 1 2 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 2 0 3 5 0 10 2 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 2 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 4 A S 0 0 140 0, 0.0 2,-0.3 0, 0.0 117,-0.2 0.000 360.0 360.0 360.0 152.1 10.2 12.3 -10.9 2 5 A G E -A 117 0A 18 115,-1.5 115,-2.4 2,-0.0 2,-0.4 -0.992 360.0-154.9-170.4 155.1 10.9 8.7 -10.1 3 6 A K E -A 116 0A 138 -2,-0.3 2,-0.4 113,-0.2 113,-0.2 -0.987 6.2-173.9-148.1 136.9 9.7 5.1 -10.1 4 7 A M E -A 115 0A 25 111,-2.6 111,-2.9 -2,-0.4 2,-0.4 -0.985 6.5-177.2-131.4 138.1 10.4 2.1 -8.0 5 8 A V E +A 114 0A 69 -2,-0.4 2,-0.4 109,-0.2 109,-0.2 -0.992 5.4 174.4-140.6 129.5 9.1 -1.5 -8.6 6 9 A K E -A 113 0A 119 107,-2.2 107,-3.0 -2,-0.4 2,-0.5 -0.996 13.8-156.4-135.8 137.5 9.5 -4.7 -6.6 7 10 A Q E -A 112 0A 131 -2,-0.4 2,-0.4 105,-0.2 105,-0.2 -0.932 10.4-170.6-109.8 125.2 7.9 -8.1 -7.2 8 11 A V E -A 111 0A 16 103,-2.9 103,-2.7 -2,-0.5 2,-0.2 -0.959 21.0-130.8-113.5 132.4 7.6 -10.6 -4.3 9 12 A E E -A 110 0A 116 -2,-0.4 2,-0.4 101,-0.2 101,-0.2 -0.564 24.9-161.0 -72.9 137.7 6.5 -14.2 -4.7 10 13 A I - 0 0 1 99,-2.4 4,-0.1 -2,-0.2 129,-0.1 -0.962 15.4-157.6-119.8 145.2 3.8 -15.1 -2.3 11 14 A L S S+ 0 0 129 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.571 71.2 78.3 -97.5 -12.0 2.9 -18.7 -1.3 12 15 A S S S- 0 0 10 1,-0.1 2,-0.4 97,-0.1 -2,-0.1 -0.244 103.3 -63.6 -86.3-177.9 -0.7 -18.0 -0.2 13 16 A D > - 0 0 73 195,-0.2 4,-1.9 1,-0.2 -1,-0.1 -0.527 40.1-155.3 -75.0 123.1 -3.7 -17.5 -2.4 14 17 A G H > S+ 0 0 0 -2,-0.4 4,-3.0 2,-0.2 5,-0.2 0.842 92.1 55.9 -68.7 -36.2 -3.3 -14.3 -4.6 15 18 A I H > S+ 0 0 65 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.969 108.1 48.0 -61.3 -52.4 -7.0 -13.8 -5.0 16 19 A V H > S+ 0 0 24 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.901 113.1 50.3 -51.7 -43.3 -7.5 -13.7 -1.3 17 20 A F H >X S+ 0 0 2 -4,-1.9 4,-1.5 1,-0.2 3,-0.6 0.932 110.5 47.6 -63.3 -48.0 -4.6 -11.3 -1.1 18 21 A Y H 3X S+ 0 0 8 -4,-3.0 4,-3.4 1,-0.2 5,-0.2 0.912 106.9 57.9 -58.4 -43.8 -5.9 -9.0 -3.8 19 22 A E H 3X>S+ 0 0 54 -4,-2.8 4,-2.2 1,-0.2 5,-1.4 0.739 101.3 56.9 -64.9 -22.1 -9.4 -9.0 -2.1 20 23 A I H <<5S+ 0 0 0 -4,-1.0 4,-0.4 -3,-0.6 -1,-0.2 0.941 115.3 35.5 -70.3 -50.1 -7.8 -7.7 1.1 21 24 A F H <5S+ 0 0 18 -4,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.858 123.1 46.9 -67.1 -40.9 -6.4 -4.7 -0.7 22 25 A R H <5S+ 0 0 15 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.831 134.1 1.7 -71.0 -40.7 -9.4 -4.4 -3.1 23 26 A Y T <5S+ 0 0 95 -4,-2.2 -3,-0.2 -5,-0.2 3,-0.2 0.699 131.6 35.9-119.2 -33.8 -12.3 -4.7 -0.6 24 27 A R > < + 0 0 15 -5,-1.4 3,-1.7 -4,-0.4 4,-0.2 -0.354 54.6 148.2-129.9 57.3 -11.2 -5.0 3.0 25 28 A L G > + 0 0 4 1,-0.3 3,-1.7 -4,-0.3 4,-0.4 0.716 63.7 78.3 -63.1 -25.7 -8.1 -3.0 3.6 26 29 A Y G > S+ 0 0 22 1,-0.3 3,-0.9 -3,-0.2 4,-0.3 0.813 84.7 66.7 -58.1 -26.6 -9.1 -2.3 7.1 27 30 A L G X> S+ 0 0 0 -3,-1.7 4,-1.8 1,-0.2 3,-1.2 0.655 73.4 82.1 -64.9 -24.1 -7.8 -5.8 7.9 28 31 A I H <> S+ 0 0 4 -3,-1.7 4,-2.1 1,-0.3 8,-0.3 0.805 86.0 64.6 -59.9 -22.9 -4.1 -5.2 7.2 29 32 A S H <4 S+ 0 0 21 -3,-0.9 -1,-0.3 -4,-0.4 7,-0.2 0.880 106.5 39.7 -61.3 -42.9 -4.1 -3.8 10.8 30 33 A E H <4 S+ 0 0 32 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.829 119.9 47.4 -72.6 -33.1 -5.0 -7.3 12.2 31 34 A M H < S+ 0 0 6 -4,-1.8 -2,-0.2 1,-0.2 113,-0.2 0.662 127.3 22.1 -86.9 -21.4 -2.6 -9.0 9.7 32 35 A S S >X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 3,-1.4 -0.404 72.8 157.8-138.8 58.0 0.5 -6.8 10.1 33 36 A P T 34 S+ 0 0 76 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.803 71.2 59.5 -61.6 -29.5 -0.1 -5.3 13.6 34 37 A V T 34 S+ 0 0 115 1,-0.2 3,-0.1 -3,-0.1 24,-0.1 0.836 118.7 29.5 -64.5 -32.1 3.5 -4.6 14.1 35 38 A N T <4 S+ 0 0 8 -3,-1.4 23,-1.9 1,-0.2 2,-0.5 0.835 123.5 40.2 -98.1 -39.0 3.5 -2.4 11.0 36 39 A I E < +B 57 0A 4 -4,-3.0 -1,-0.2 -8,-0.3 21,-0.2 -0.969 48.2 172.2-121.8 117.6 0.0 -1.0 10.7 37 40 A Q E S+ 0 0 73 19,-2.1 2,-0.3 -2,-0.5 20,-0.2 0.702 70.6 19.3 -91.9 -26.3 -1.9 0.2 13.8 38 41 A G E +B 56 0A 4 18,-1.8 18,-2.2 2,-0.0 2,-0.3 -0.998 39.7 176.7-154.4 145.4 -4.8 1.7 11.9 39 42 A V E +B 55 0A 8 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.842 27.5 174.9-143.6 96.9 -6.7 1.8 8.6 40 43 A D E -B 54 0A 69 14,-2.6 14,-2.6 -2,-0.3 2,-0.5 -0.893 28.7-132.2-112.3 138.9 -9.8 4.1 9.0 41 44 A L E +B 53 0A 42 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.810 27.9 170.4 -88.1 127.3 -12.2 5.2 6.3 42 45 A L E + 0 0 94 10,-3.0 2,-0.3 -2,-0.5 11,-0.2 0.758 64.9 10.9-104.9 -36.9 -12.8 9.0 6.3 43 46 A E E S+B 52 0A 116 9,-1.4 9,-3.2 2,-0.0 -1,-0.3 -0.992 110.3 4.4-145.7 141.8 -14.8 9.7 3.1 44 47 A G S S- 0 0 49 -2,-0.3 2,-0.3 7,-0.2 7,-0.1 -0.563 90.8 -55.8 88.2-150.8 -16.5 7.4 0.5 45 48 A N > - 0 0 110 -2,-0.2 3,-1.3 3,-0.1 6,-0.2 -0.975 48.6 -99.2-137.3 141.9 -16.9 3.6 0.8 46 49 A W T 3 S+ 0 0 46 -2,-0.3 3,-0.1 1,-0.2 -23,-0.1 -0.370 109.8 25.4 -56.6 135.4 -14.5 0.7 1.2 47 50 A G T 3 S+ 0 0 16 1,-0.2 2,-0.4 -26,-0.2 -1,-0.2 0.574 101.7 103.8 89.3 13.6 -13.9 -0.9 -2.3 48 51 A T S X S- 0 0 44 -3,-1.3 3,-1.5 294,-0.1 -1,-0.2 -0.971 74.5-105.4-137.1 143.2 -14.6 2.2 -4.4 49 52 A V T 3 S+ 0 0 17 -2,-0.4 22,-0.2 1,-0.2 -4,-0.1 -0.361 104.6 32.2 -65.1 137.2 -12.6 4.7 -6.3 50 53 A G T 3 S+ 0 0 35 20,-3.6 -1,-0.2 1,-0.3 2,-0.1 0.387 82.7 140.3 97.8 -4.0 -12.4 8.1 -4.6 51 54 A S < - 0 0 0 -3,-1.5 19,-2.4 19,-0.3 2,-0.6 -0.448 47.1-136.0 -75.5 147.2 -12.5 6.8 -1.1 52 55 A V E -BC 43 69A 11 -9,-3.2 -10,-3.0 17,-0.2 -9,-1.4 -0.941 25.1-177.8-112.6 116.0 -10.3 8.5 1.5 53 56 A I E -BC 41 68A 4 15,-2.5 15,-3.1 -2,-0.6 2,-0.5 -0.872 14.0-149.3-117.2 147.8 -8.4 6.1 3.8 54 57 A F E -BC 40 67A 52 -14,-2.6 -14,-2.6 -2,-0.3 2,-0.4 -0.979 10.6-158.9-125.1 129.0 -6.1 7.0 6.7 55 58 A F E -BC 39 66A 21 11,-2.9 11,-1.7 -2,-0.5 2,-0.5 -0.890 9.3-164.8-110.7 134.2 -3.2 4.8 7.8 56 59 A K E +BC 38 65A 100 -18,-2.2 -19,-2.1 -2,-0.4 -18,-1.8 -0.982 31.2 155.9-111.8 121.5 -1.4 4.7 11.1 57 60 A Y E -BC 36 64A 12 7,-2.6 7,-4.3 -2,-0.5 2,-0.4 -0.919 35.4-136.1-145.5 169.3 1.9 2.9 10.8 58 61 A T E - C 0 63A 22 -23,-1.9 2,-0.5 -2,-0.3 5,-0.2 -0.991 12.7-172.6-135.0 120.8 5.4 2.5 12.2 59 62 A I E > S- C 0 62A 12 3,-2.3 3,-3.2 -2,-0.4 71,-0.1 -0.974 80.0 -12.8-114.7 127.3 8.7 2.4 10.4 60 63 A D T 3 S- 0 0 141 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.887 131.0 -55.1 52.1 42.5 11.8 1.5 12.3 61 64 A G T 3 S+ 0 0 68 1,-0.2 2,-0.5 -3,-0.2 -1,-0.3 0.418 111.3 126.4 70.4 0.7 9.8 2.2 15.4 62 65 A K E < -C 59 0A 47 -3,-3.2 -3,-2.3 1,-0.0 2,-0.3 -0.797 59.8-128.8 -96.4 124.1 8.8 5.7 14.3 63 66 A E E +C 58 0A 164 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.551 37.4 170.7 -78.0 130.6 5.0 6.4 14.3 64 67 A K E -C 57 0A 70 -7,-4.3 -7,-2.6 -2,-0.3 2,-0.3 -0.874 21.9-150.7-138.9 163.4 3.7 7.8 11.1 65 68 A T E -C 56 0A 50 -2,-0.3 23,-1.4 -9,-0.2 24,-0.4 -0.978 7.9-177.6-137.0 150.0 0.5 8.6 9.2 66 69 A A E -CD 55 87A 6 -11,-1.7 -11,-2.9 -2,-0.3 2,-0.5 -0.980 14.9-151.3-141.8 137.8 -0.6 8.8 5.5 67 70 A K E -CD 54 86A 45 19,-2.8 18,-3.5 -2,-0.3 19,-1.5 -0.965 25.6-169.4-110.8 127.2 -4.0 9.9 4.1 68 71 A D E -CD 53 84A 8 -15,-3.1 -15,-2.5 -2,-0.5 2,-0.4 -0.881 21.4-149.5-122.6 142.1 -4.7 8.2 0.8 69 72 A I E -CD 52 83A 43 14,-2.5 14,-2.8 -2,-0.3 2,-0.8 -0.925 26.3-127.9-102.8 132.0 -7.2 8.5 -2.0 70 73 A V E + D 0 82A 9 -19,-2.4 -20,-3.6 -2,-0.4 -19,-0.3 -0.784 35.8 173.2 -76.4 110.3 -8.1 5.2 -3.8 71 74 A E E + 0 0 19 10,-2.8 298,-3.0 -2,-0.8 299,-0.4 0.584 55.0 16.3-102.0 -13.0 -7.5 6.4 -7.4 72 75 A A E -ED 368 81A 2 9,-1.3 9,-2.8 296,-0.2 2,-0.4 -0.956 47.3-176.0-161.5 141.4 -7.8 3.1 -9.4 73 76 A I E -ED 367 80A 1 294,-1.9 294,-1.9 -2,-0.3 2,-0.4 -0.988 10.2-176.4-131.5 137.5 -9.1 -0.4 -9.1 74 77 A D E > -ED 366 79A 33 5,-2.5 5,-2.4 -2,-0.4 4,-0.5 -0.902 13.1-174.9-141.5 108.7 -8.6 -2.8 -11.9 75 78 A E T 5S+ 0 0 30 290,-3.0 291,-0.1 -2,-0.4 -1,-0.1 0.638 83.9 60.1 -78.1 -16.9 -10.1 -6.3 -11.6 76 79 A E T 5S+ 0 0 76 289,-0.4 -1,-0.2 1,-0.2 290,-0.1 0.943 118.9 25.8 -75.6 -49.8 -8.5 -7.5 -14.9 77 80 A T T 5S- 0 0 64 2,-0.1 25,-0.3 26,-0.1 -2,-0.2 0.356 107.3-122.2 -91.0 0.6 -4.9 -6.9 -13.8 78 81 A K T 5 + 0 0 60 -4,-0.5 24,-2.9 1,-0.2 2,-0.3 0.978 62.2 149.0 52.0 61.8 -5.9 -7.3 -10.0 79 82 A S E < -DF 74 101A 15 -5,-2.4 -5,-2.5 22,-0.2 2,-0.3 -0.938 35.1-169.7-129.5 143.5 -4.5 -3.9 -9.3 80 83 A V E -DF 73 100A 4 20,-2.3 20,-2.7 -2,-0.3 2,-0.5 -0.998 10.3-155.1-132.7 141.3 -5.2 -1.1 -6.8 81 84 A T E -DF 72 99A 5 -9,-2.8 -10,-2.8 -2,-0.3 -9,-1.3 -0.965 8.3-172.5-122.6 120.9 -3.8 2.4 -6.9 82 85 A F E -DF 70 98A 9 16,-3.3 16,-3.1 -2,-0.5 2,-0.5 -0.929 8.4-157.0-110.1 134.2 -3.5 4.7 -3.8 83 86 A K E -DF 69 97A 66 -14,-2.8 -14,-2.5 -2,-0.4 2,-0.5 -0.964 15.8-136.6-111.3 129.3 -2.4 8.3 -3.9 84 87 A I E +D 68 0A 6 12,-2.5 12,-0.4 -2,-0.5 -16,-0.2 -0.680 30.0 166.6 -86.4 122.4 -0.9 9.8 -0.8 85 88 A V E + 0 0 51 -18,-3.5 2,-0.3 -2,-0.5 -17,-0.2 0.712 61.3 21.1-106.2 -25.9 -2.3 13.3 -0.1 86 89 A E E S+D 67 0A 99 -19,-1.5 -19,-2.8 5,-0.0 -1,-0.3 -0.993 84.1 47.6-144.6 152.3 -1.2 13.9 3.5 87 90 A G E >> S-D 66 0A 27 -2,-0.3 3,-1.7 -21,-0.2 4,-0.5 -0.617 90.7 -27.6 120.3-174.0 1.3 12.8 6.0 88 91 A D G >4 S+ 0 0 67 -23,-1.4 3,-1.5 1,-0.3 4,-0.4 0.808 123.9 57.6 -48.8 -45.0 4.9 12.0 6.7 89 92 A L G >> S+ 0 0 20 -24,-0.4 3,-2.2 1,-0.2 4,-2.0 0.883 97.9 63.0 -56.0 -35.1 5.8 11.1 3.1 90 93 A M G <4 S+ 0 0 40 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.624 86.8 71.7 -72.7 -11.0 4.6 14.6 1.9 91 94 A E G << S+ 0 0 74 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.703 117.4 22.2 -62.3 -22.8 7.4 16.2 4.0 92 95 A L T <4 S+ 0 0 78 -3,-2.2 28,-2.6 -4,-0.4 29,-0.5 0.648 121.7 52.5-116.5 -29.1 9.7 14.7 1.3 93 96 A Y E < - 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