==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 18-NOV-11 4A84 . COMPND 2 MOLECULE: MAJOR POLLEN ALLERGEN BET V 1-A; . SOURCE 2 ORGANISM_SCIENTIFIC: BETULA PENDULA; . AUTHOR S.KOFLER,H.BRANDSTETTER . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 76.1 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 . 54 34.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 16 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 1 1 0 0 1 1 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 1 A G 0 0 72 0, 0.0 121,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-172.5 -7.8 -8.5 19.0 2 2 A V E -A 121 0A 76 119,-0.2 2,-0.5 2,-0.0 119,-0.2 -0.966 360.0-163.8-128.8 131.3 -6.3 -6.3 16.4 3 3 A F E -A 120 0A 59 117,-2.2 117,-2.9 -2,-0.4 2,-0.5 -0.978 18.4-154.8-108.7 119.6 -6.5 -2.5 15.7 4 4 A N E -A 119 0A 66 -2,-0.5 2,-0.5 115,-0.2 115,-0.2 -0.878 12.7-177.8-101.4 124.5 -5.4 -1.6 12.2 5 5 A Y E -A 118 0A 63 113,-2.5 113,-2.4 -2,-0.5 2,-0.4 -0.989 5.6-172.5-123.9 124.0 -4.0 1.9 11.4 6 6 A E E +A 117 0A 149 -2,-0.5 2,-0.3 111,-0.2 111,-0.2 -0.911 9.7 162.3-119.4 141.1 -3.1 2.8 7.9 7 7 A T E -A 116 0A 53 109,-2.0 109,-2.9 -2,-0.4 2,-0.3 -0.939 20.9-148.1-147.4 163.4 -1.3 5.9 6.6 8 8 A E E -A 115 0A 111 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.972 13.5-179.9-127.4 150.7 0.6 7.2 3.5 9 9 A T E -A 114 0A 17 105,-1.7 105,-3.3 -2,-0.3 2,-0.2 -0.993 21.5-124.7-147.9 152.4 3.3 9.7 3.2 10 10 A T E -A 113 0A 89 -2,-0.3 2,-0.3 103,-0.2 103,-0.2 -0.632 18.5-166.6 -96.9 150.2 5.3 11.1 0.3 11 11 A S E -A 112 0A 6 101,-2.7 101,-2.2 -2,-0.2 4,-0.1 -0.975 24.3-143.0-129.9 151.5 9.0 11.2 -0.3 12 12 A V S S+ 0 0 89 -2,-0.3 -1,-0.1 99,-0.2 101,-0.1 0.535 79.1 91.2 -87.5 -3.8 11.1 13.0 -2.7 13 13 A I S S- 0 0 2 99,-0.1 -2,-0.1 1,-0.1 97,-0.1 -0.686 87.9-103.0 -92.7 138.0 13.4 10.0 -3.1 14 14 A P > - 0 0 66 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.264 34.2-113.4 -60.0 148.6 12.9 7.4 -5.8 15 15 A A H > S+ 0 0 5 96,-0.5 4,-2.7 1,-0.2 5,-0.2 0.870 110.4 47.3 -55.2 -48.4 11.4 4.1 -4.5 16 16 A A H > S+ 0 0 56 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 115.6 45.0 -66.1 -41.2 14.3 1.7 -5.1 17 17 A R H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 114.9 47.4 -70.0 -37.8 16.9 4.1 -3.6 18 18 A L H X>S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.8 0.908 111.3 51.7 -69.9 -39.6 14.7 4.9 -0.6 19 19 A F H X>S+ 0 0 4 -4,-2.7 5,-2.6 -5,-0.2 4,-1.0 0.925 113.3 45.2 -60.8 -43.5 14.0 1.2 -0.1 20 20 A K H <>S+ 0 0 97 -4,-2.4 5,-2.4 3,-0.2 -2,-0.2 0.904 123.5 34.3 -67.2 -45.1 17.7 0.4 -0.1 21 21 A A H <5S+ 0 0 0 -4,-2.7 8,-0.3 3,-0.2 -2,-0.2 0.943 127.6 29.4 -76.2 -52.3 18.7 3.3 2.2 22 22 A F H <5S+ 0 0 28 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.832 132.0 24.8 -88.6 -34.7 15.9 3.7 4.7 23 23 A I T < > + 0 0 7 -3,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.812 65.3 66.1 -60.6 -30.1 18.1 1.6 7.9 27 27 A D H <4 S+ 0 0 53 -3,-0.5 14,-0.3 -4,-0.2 -1,-0.3 0.832 114.6 27.8 -59.1 -41.8 20.1 -0.2 10.7 28 28 A N H <> S+ 0 0 76 -3,-1.1 4,-0.9 -7,-0.1 -2,-0.2 0.859 126.9 44.4 -79.2 -47.3 23.2 1.7 9.8 29 29 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 -8,-0.3 3,-0.3 0.891 104.9 56.3 -76.4 -40.0 21.7 4.8 8.3 30 30 A V H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 8,-0.2 0.919 107.7 46.5 -65.4 -47.6 18.9 5.8 10.7 31 31 A P H 4 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.783 113.8 51.2 -63.6 -25.3 21.0 6.0 13.9 32 32 A K H < S+ 0 0 96 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.1 0.898 119.8 32.7 -74.8 -40.1 23.6 8.1 12.0 33 33 A V H < S+ 0 0 31 -4,-2.3 -3,-0.2 1,-0.2 -1,-0.1 0.727 130.6 30.3 -93.1 -21.4 21.1 10.6 10.6 34 34 A A >X + 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 3,-2.1 -0.381 64.9 149.4-132.8 54.1 18.5 10.8 13.4 35 35 A P T 34 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.745 72.4 63.0 -64.5 -21.9 20.5 10.1 16.6 36 36 A Q T 34 S+ 0 0 110 1,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.523 115.6 31.0 -75.2 -8.8 18.1 12.3 18.6 37 37 A A T <4 S+ 0 0 7 -3,-2.1 2,-0.4 1,-0.3 -1,-0.1 0.658 130.8 28.4-113.6 -37.7 15.2 9.9 17.7 38 38 A I < - 0 0 8 -4,-2.5 -1,-0.3 -8,-0.2 20,-0.2 -0.959 58.8-172.3-130.0 111.9 17.0 6.5 17.5 39 39 A S - 0 0 59 18,-1.6 2,-0.3 -2,-0.4 19,-0.2 0.881 67.8 -19.3 -76.7 -35.5 20.2 6.0 19.6 40 40 A S E -B 57 0A 51 17,-1.2 17,-2.7 2,-0.0 2,-0.4 -0.986 44.1-143.4-163.3 160.6 21.1 2.6 18.1 41 41 A V E -B 56 0A 35 -2,-0.3 2,-0.5 -14,-0.3 15,-0.2 -0.994 22.2-166.7-128.0 118.4 20.1 -0.4 16.2 42 42 A E E -B 55 0A 101 13,-2.5 13,-2.5 -2,-0.4 2,-0.6 -0.932 17.4-138.9-107.7 123.8 21.6 -3.8 17.3 43 43 A N E +B 54 0A 74 -2,-0.5 11,-0.3 11,-0.2 3,-0.1 -0.749 24.0 177.9 -79.4 117.3 21.4 -6.9 15.2 44 44 A I E - 0 0 77 9,-3.0 2,-0.3 -2,-0.6 10,-0.2 0.858 64.9 -8.7 -85.8 -44.1 20.6 -9.7 17.7 45 45 A E E S+B 53 0A 110 8,-1.5 8,-2.0 6,-0.0 -1,-0.4 -0.977 102.9 31.3-155.6 139.6 20.3 -12.6 15.3 46 46 A G S S- 0 0 30 -2,-0.3 5,-0.1 6,-0.2 -3,-0.0 -0.220 71.5 -97.9 101.9 173.3 20.1 -13.0 11.5 47 47 A N S S- 0 0 151 3,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 0.241 78.1 -73.7-117.4 10.1 21.4 -11.3 8.4 48 48 A G S S+ 0 0 25 1,-0.4 3,-0.1 -3,-0.2 -2,-0.1 0.181 99.2 109.3 114.0 -17.9 18.4 -9.2 7.5 49 49 A G S > S- 0 0 20 1,-0.2 3,-2.2 2,-0.0 -1,-0.4 -0.224 84.5 -48.0 -80.1 177.0 15.9 -11.8 6.1 50 50 A P T 3 S+ 0 0 91 0, 0.0 22,-0.2 0, 0.0 -1,-0.2 -0.139 129.4 30.3 -43.3 135.0 12.8 -13.1 7.7 51 51 A G T 3 S+ 0 0 34 20,-3.5 21,-0.1 1,-0.3 2,-0.1 0.196 83.4 141.0 96.2 -13.6 13.4 -14.1 11.3 52 52 A T < - 0 0 2 -3,-2.2 19,-2.7 19,-0.1 2,-0.4 -0.402 39.5-150.0 -65.0 132.0 16.1 -11.4 11.9 53 53 A I E -BC 45 70A 35 -8,-2.0 -9,-3.0 17,-0.2 -8,-1.5 -0.933 16.3-180.0-108.7 132.1 15.9 -9.8 15.3 54 54 A K E -BC 43 69A 10 15,-2.2 15,-2.5 -2,-0.4 2,-0.6 -0.963 21.0-141.7-129.0 145.7 17.0 -6.2 15.9 55 55 A K E -BC 42 68A 56 -13,-2.5 -13,-2.5 -2,-0.3 2,-0.6 -0.951 15.4-160.9-112.4 115.4 17.0 -4.1 19.1 56 56 A I E -BC 41 67A 15 11,-3.3 11,-2.0 -2,-0.6 2,-0.4 -0.876 9.0-162.0-100.7 117.2 16.0 -0.5 18.5 57 57 A S E -BC 40 66A 25 -17,-2.7 -18,-1.6 -2,-0.6 -17,-1.2 -0.812 3.8-146.9-103.2 143.8 17.1 1.7 21.4 58 58 A F - 0 0 40 7,-2.4 -20,-0.2 -2,-0.4 3,-0.1 -0.705 28.3 -92.8-106.5 157.3 15.7 5.2 22.0 59 59 A P > - 0 0 26 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.154 55.9 -77.1 -65.2 162.6 17.5 8.2 23.5 60 60 A E T 3 S+ 0 0 200 1,-0.2 5,-0.0 3,-0.0 0, 0.0 -0.275 118.4 31.1 -55.7 140.4 17.4 9.0 27.2 61 61 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.2 -3,-0.1 4,-0.1 0.314 86.1 129.7 92.4 -7.3 14.1 10.6 28.3 62 62 A F S < S- 0 0 77 -3,-1.6 -1,-0.3 2,-0.1 -4,-0.1 -0.418 71.5-112.2 -75.8 157.2 11.9 8.8 25.7 63 63 A P S S+ 0 0 117 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.873 101.6 35.5 -58.7 -36.5 8.8 7.0 26.9 64 64 A F - 0 0 96 1,-0.1 -6,-0.2 -5,-0.1 -2,-0.1 -0.934 67.1-147.5-125.0 140.9 10.2 3.6 26.1 65 65 A K S S- 0 0 172 -2,-0.4 -7,-2.4 1,-0.2 2,-0.3 0.883 72.5 -28.3 -67.7 -47.8 13.8 2.4 26.4 66 66 A Y E -C 57 0A 52 -9,-0.3 2,-0.3 2,-0.0 -1,-0.2 -0.977 46.4-149.9-160.2 161.8 13.8 -0.1 23.5 67 67 A V E -C 56 0A 17 -11,-2.0 -11,-3.3 -2,-0.3 2,-0.5 -0.955 17.2-135.3-133.0 157.5 11.8 -2.4 21.3 68 68 A K E -CD 55 87A 46 19,-2.8 18,-2.4 -2,-0.3 19,-1.1 -0.967 19.1-159.6-107.3 127.8 12.8 -5.5 19.5 69 69 A D E -CD 54 85A 33 -15,-2.5 -15,-2.2 -2,-0.5 2,-0.5 -0.846 2.9-156.6-100.1 145.3 11.7 -5.9 15.8 70 70 A R E -CD 53 84A 82 14,-2.7 14,-2.8 -2,-0.3 2,-0.3 -0.991 21.1-127.6-119.9 122.9 11.5 -9.3 14.0 71 71 A V E + D 0 83A 2 -19,-2.7 -20,-3.5 -2,-0.5 12,-0.3 -0.570 28.7 177.3 -70.0 130.6 11.7 -9.2 10.2 72 72 A D E - 0 0 50 10,-2.7 2,-0.3 1,-0.4 11,-0.2 0.797 61.1 -8.3-101.2 -43.7 8.7 -11.1 8.7 73 73 A E E - D 0 82A 114 9,-2.0 9,-2.9 -24,-0.1 2,-0.4 -0.972 49.8-162.0-161.4 143.5 9.1 -10.6 4.9 74 74 A V E - D 0 81A 31 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.983 6.1-171.4-135.6 115.3 11.3 -8.6 2.5 75 75 A D E >> - D 0 80A 44 5,-3.0 5,-1.9 -2,-0.4 4,-0.7 -0.882 5.5-179.3-114.3 101.1 10.2 -8.1 -1.1 76 76 A H T 45S+ 0 0 118 -2,-0.7 -1,-0.1 3,-0.2 -56,-0.1 0.616 80.8 54.2 -70.9 -20.8 12.9 -6.5 -3.1 77 77 A T T 45S+ 0 0 115 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.913 121.1 26.1 -79.6 -50.3 10.9 -6.5 -6.3 78 78 A N T 45S- 0 0 79 2,-0.1 26,-0.3 27,-0.0 -2,-0.2 0.234 105.7-119.7 -99.8 7.3 7.8 -4.7 -5.0 79 79 A F T <5 + 0 0 49 -4,-0.7 25,-2.5 1,-0.2 2,-0.4 0.919 60.1 150.3 51.2 54.0 9.7 -2.8 -2.2 80 80 A K E < -DE 75 103A 74 -5,-1.9 -5,-3.0 23,-0.2 2,-0.4 -0.917 23.9-176.7-114.7 140.0 7.6 -4.3 0.6 81 81 A Y E -DE 74 102A 19 21,-2.8 21,-2.2 -2,-0.4 2,-0.4 -0.966 2.2-172.1-142.1 122.4 9.0 -4.8 4.1 82 82 A N E +DE 73 101A 15 -9,-2.9 -10,-2.7 -2,-0.4 -9,-2.0 -0.951 15.0 157.3-119.0 132.2 7.0 -6.5 6.8 83 83 A Y E -DE 71 100A 46 17,-2.1 17,-3.4 -2,-0.4 2,-0.4 -0.967 27.1-136.0-150.0 158.7 8.2 -6.7 10.4 84 84 A S E -DE 70 99A 1 -14,-2.8 -14,-2.7 -2,-0.3 2,-0.7 -0.975 12.9-135.9-122.0 137.1 6.8 -7.1 13.9 85 85 A V E +DE 69 98A 11 13,-2.9 13,-2.1 -2,-0.4 -16,-0.2 -0.835 37.4 165.4 -81.5 113.1 7.5 -5.3 17.2 86 86 A I E + 0 0 49 -18,-2.4 2,-0.3 -2,-0.7 -17,-0.1 0.511 50.2 16.4-116.7 -5.7 7.7 -8.4 19.5 87 87 A E E S+D 68 0A 72 -19,-1.1 -19,-2.8 1,-0.0 -1,-0.3 -0.985 87.7 36.2-161.3 154.8 9.3 -7.3 22.8 88 88 A G S > S+ 0 0 9 3,-0.3 3,-2.8 -2,-0.3 -21,-0.2 0.050 86.6 27.9 92.8 159.2 10.1 -4.2 24.8 89 89 A G T 3 S+ 0 0 34 1,-0.3 -1,-0.2 -23,-0.2 -22,-0.1 -0.291 131.1 5.8 61.7-118.6 8.6 -0.9 25.5 90 90 A P T 3 S+ 0 0 38 0, 0.0 4,-0.3 0, 0.0 2,-0.3 0.555 105.4 106.5 -77.3 -9.1 4.9 -1.1 25.2 91 91 A I < + 0 0 32 -3,-2.8 -3,-0.3 3,-0.1 2,-0.3 -0.551 53.9 74.8 -75.3 129.8 4.9 -4.9 24.7 92 92 A G S S- 0 0 45 3,-2.5 3,-0.3 -2,-0.3 -1,-0.0 -0.902 95.9 -8.3 168.5-136.9 3.6 -6.7 27.7 93 93 A D S S+ 0 0 133 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.531 135.9 34.6 -73.9 -8.3 0.4 -7.5 29.5 94 94 A T S S+ 0 0 54 -4,-0.3 29,-1.4 1,-0.3 2,-0.4 0.524 121.9 39.9-114.8 -22.0 -1.7 -5.1 27.3 95 95 A L E - 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