==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 14-MAR-07 2JON . COMPND 2 MOLECULE: BETA-1,3-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OLEA EUROPAEA; . AUTHOR M.A.TREVINO,O.PALOMARES,I.CASTRILLO,M.VILLALBA,R.RODRIGUEZ, . 101 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6853.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 48.5 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 . 5 5.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 0 1 0 0 1 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.4 2.1 -0.0 -1.2 2 2 A T - 0 0 116 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.981 360.0-116.1-148.4 132.3 3.2 -3.6 -1.2 3 3 A P - 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.521 34.6-165.5 -69.8 118.5 2.2 -6.6 0.9 4 4 A T - 0 0 122 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.864 16.3-119.5-110.4 141.6 5.2 -7.9 3.0 5 5 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.143 24.6-123.7 -69.7 168.7 5.5 -11.2 4.8 6 6 A T - 0 0 112 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.935 15.7-130.8-121.2 141.9 6.0 -11.6 8.5 7 7 A P - 0 0 111 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.209 39.5 -78.4 -69.7-163.7 8.7 -13.5 10.4 8 8 A K - 0 0 190 92,-0.0 2,-0.1 2,-0.0 0, 0.0 -0.901 39.9-132.7-109.0 131.0 8.3 -16.0 13.3 9 9 A A + 0 0 51 -2,-0.5 2,-0.3 91,-0.0 90,-0.1 -0.356 28.6 174.0 -76.6 158.7 7.6 -14.9 16.8 10 10 A A + 0 0 89 88,-0.1 77,-0.1 -2,-0.1 3,-0.0 -0.983 35.5 75.9-162.7 154.1 9.4 -16.3 19.8 11 11 A G S S+ 0 0 55 -2,-0.3 2,-0.3 75,-0.1 -2,-0.0 -0.424 93.0 3.2 142.0 -64.6 9.8 -15.8 23.6 12 12 A S - 0 0 54 86,-0.2 2,-0.4 75,-0.1 74,-0.1 -0.985 51.7-149.9-152.2 158.2 6.8 -17.3 25.4 13 13 A W E -A 85 0A 6 72,-0.8 72,-2.6 73,-0.3 2,-1.0 -0.970 9.3-149.0-138.1 120.9 3.6 -19.3 24.8 14 14 A a E +A 84 0A 7 -2,-0.4 70,-0.3 83,-0.3 52,-0.1 -0.767 46.1 127.5 -91.8 102.1 0.4 -19.1 26.8 15 15 A V E -A 83 0A 10 68,-2.3 68,-1.3 -2,-1.0 2,-0.3 -0.995 62.2 -93.0-154.0 152.4 -1.3 -22.5 26.6 16 16 A P E -A 82 0A 4 0, 0.0 66,-0.3 0, 0.0 65,-0.1 -0.490 51.8-101.4 -69.7 127.8 -2.7 -25.2 28.9 17 17 A K > - 0 0 109 64,-1.1 2,-1.9 -2,-0.3 3,-1.6 -0.264 33.8-125.0 -52.0 118.2 -0.3 -27.9 29.8 18 18 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.461 98.2 42.5 -69.8 82.4 -1.1 -30.9 27.6 19 19 A G T 3 S+ 0 0 73 -2,-1.9 3,-0.2 1,-0.2 -2,-0.1 0.183 78.4 117.5 168.3 -25.6 -1.6 -33.5 30.3 20 20 A V S < S- 0 0 56 -3,-1.6 2,-0.3 1,-0.2 -1,-0.2 -0.045 85.6 -62.2 -59.1 166.9 -3.5 -31.9 33.2 21 21 A S >> - 0 0 77 1,-0.1 4,-1.8 2,-0.1 3,-1.7 -0.349 47.4-137.8 -56.4 113.2 -6.9 -33.3 34.2 22 22 A D H 3> S+ 0 0 94 -2,-0.3 4,-3.0 1,-0.3 3,-0.3 0.885 105.7 51.6 -36.6 -59.1 -9.1 -32.8 31.1 23 23 A D H 3> S+ 0 0 122 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.843 107.6 55.3 -50.0 -36.4 -12.0 -31.6 33.3 24 24 A Q H X4 S+ 0 0 107 -3,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.937 112.3 39.7 -63.7 -48.5 -9.5 -29.1 34.9 25 25 A L H >X S+ 0 0 0 -4,-1.8 3,-2.3 -3,-0.3 4,-0.6 0.811 103.4 71.1 -71.0 -30.5 -8.6 -27.6 31.6 26 26 A T H 3X S+ 0 0 54 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.2 0.806 84.0 70.6 -55.8 -30.2 -12.2 -27.7 30.4 27 27 A G H S+ 0 0 0 -3,-2.3 4,-3.0 2,-0.2 3,-0.7 0.999 100.9 44.1 -64.1 -68.7 -10.9 -22.6 30.6 29 29 A I H 3X S+ 0 0 29 -4,-0.6 4,-2.8 1,-0.3 -1,-0.2 0.865 113.0 55.5 -43.8 -43.7 -13.1 -22.7 27.5 30 30 A N H 3< S+ 0 0 119 -4,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.922 117.9 33.1 -57.5 -47.0 -16.1 -22.4 29.8 31 31 A Y H X< S+ 0 0 92 -4,-1.8 3,-2.6 -3,-0.7 -2,-0.2 0.978 122.0 45.1 -74.0 -59.9 -14.7 -19.2 31.4 32 32 A A H >X S+ 0 0 0 -4,-3.0 3,-2.9 1,-0.3 4,-0.6 0.886 102.3 67.3 -51.2 -43.2 -12.9 -17.7 28.3 33 33 A b T 3< S+ 0 0 43 -4,-2.8 6,-0.3 -5,-0.5 -1,-0.3 0.669 92.0 64.7 -53.4 -14.8 -16.0 -18.5 26.2 34 34 A S T <4 S+ 0 0 107 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.207 90.1 68.3 -93.9 14.5 -17.6 -15.8 28.4 35 35 A Q T <4 S- 0 0 96 -3,-2.9 -2,-0.2 1,-0.0 -1,-0.2 0.839 100.8-120.8 -98.0 -46.5 -15.2 -13.2 26.9 36 36 A G S < S+ 0 0 52 -4,-0.6 -3,-0.1 -3,-0.0 -4,-0.0 -0.416 100.3 56.9 138.7 -62.4 -16.4 -12.9 23.3 37 37 A I S S+ 0 0 36 1,-0.2 28,-0.2 3,-0.1 27,-0.1 0.369 98.0 71.7 -82.3 5.5 -13.5 -13.8 21.0 38 38 A D S S+ 0 0 4 -6,-0.4 2,-0.4 1,-0.1 4,-0.3 0.959 87.5 56.5 -82.9 -63.8 -13.2 -17.1 22.8 39 39 A b S S+ 0 0 60 -6,-0.3 -1,-0.1 -7,-0.3 -9,-0.0 -0.575 112.1 21.4 -75.1 126.2 -16.3 -19.0 21.6 40 40 A G S > S+ 0 0 44 -2,-0.4 3,-0.6 -3,-0.0 -1,-0.2 -0.583 110.2 63.8 121.9 -70.5 -16.5 -19.3 17.8 41 41 A P T 3 S+ 0 0 46 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.404 78.3 93.7 -69.8 4.8 -13.0 -18.8 16.5 42 42 A I T 3 + 0 0 16 -4,-0.3 18,-0.1 18,-0.1 17,-0.1 0.189 55.2 133.6 -83.4 18.0 -12.1 -22.0 18.4 43 43 A Q < - 0 0 125 -3,-0.6 -4,-0.0 1,-0.1 0, 0.0 -0.539 55.8-125.0 -74.1 129.3 -12.7 -23.9 15.1 44 44 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 8,-0.0 -0.227 13.6-158.6 -69.7 161.2 -10.0 -26.4 14.3 45 45 A G - 0 0 85 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.725 40.6-109.6-110.9 -35.3 -8.1 -26.5 11.0 46 46 A G S S+ 0 0 47 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.038 89.1 104.8 127.1 -26.1 -6.8 -30.0 10.7 47 47 A A S S- 0 0 104 1,-0.2 47,-0.0 2,-0.1 46,-0.0 0.963 113.3 -15.7 -48.1 -68.7 -3.1 -29.4 11.2 48 48 A c S S+ 0 0 49 47,-0.1 -1,-0.2 1,-0.1 46,-0.1 0.401 105.4 112.4-118.1 -4.4 -2.9 -30.7 14.7 49 49 A F + 0 0 84 1,-0.1 4,-0.1 3,-0.1 -2,-0.1 0.858 60.7 91.5 -34.3 -54.8 -6.6 -30.6 15.5 50 50 A E S S+ 0 0 145 -4,-0.4 2,-0.1 2,-0.1 -1,-0.1 -0.843 82.3 37.1-100.3 124.8 -6.5 -34.4 15.7 51 51 A P S S- 0 0 114 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.489 98.4-161.8 -69.8 149.1 -6.0 -35.6 18.2 52 52 A N - 0 0 94 -2,-0.1 -2,-0.1 -8,-0.0 -3,-0.1 -0.889 4.3-145.0-106.0 127.1 -8.1 -32.8 19.6 53 53 A T > - 0 0 62 -2,-0.5 3,-0.6 -4,-0.1 4,-0.3 -0.353 20.9-115.8 -83.5 166.8 -7.9 -31.9 23.3 54 54 A V T > S+ 0 0 62 1,-0.2 3,-0.7 2,-0.1 4,-0.2 0.977 117.6 37.3 -65.8 -57.8 -10.8 -30.8 25.6 55 55 A K T 3> S+ 0 0 9 1,-0.2 4,-1.7 2,-0.1 -1,-0.2 0.261 86.9 112.8 -79.0 13.9 -9.4 -27.3 26.3 56 56 A A H <> S+ 0 0 29 -3,-0.6 4,-1.5 1,-0.2 3,-0.4 0.915 70.5 56.5 -51.3 -48.4 -8.1 -27.2 22.8 57 57 A H H X> S+ 0 0 68 -3,-0.7 4,-1.8 -4,-0.3 3,-0.7 0.922 105.1 51.1 -50.3 -50.4 -10.5 -24.4 21.9 58 58 A A H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.861 105.2 57.4 -56.7 -37.5 -9.1 -22.3 24.7 59 59 A A H 3< S+ 0 0 22 -4,-1.7 4,-0.3 -3,-0.4 -1,-0.3 0.836 106.6 50.5 -63.1 -33.3 -5.6 -22.9 23.3 60 60 A Y H X< S+ 0 0 114 -4,-1.5 3,-2.3 -3,-0.7 4,-0.5 0.990 112.8 41.0 -68.3 -63.1 -6.7 -21.5 20.0 61 61 A V H 3X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.3 5,-0.5 0.831 96.9 80.9 -54.8 -33.4 -8.2 -18.2 21.1 62 62 A M H 3X S+ 0 0 4 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.3 0.748 87.4 60.9 -45.5 -24.6 -5.3 -17.9 23.6 63 63 A N H <> S+ 0 0 17 -3,-2.3 4,-0.7 -4,-0.3 -1,-0.2 0.978 117.9 22.5 -68.9 -58.2 -3.4 -16.6 20.5 64 64 A L H >> S+ 0 0 53 -4,-0.5 4,-1.1 -3,-0.5 3,-1.1 0.944 121.9 56.9 -74.9 -50.7 -5.6 -13.6 19.8 65 65 A Y H >X S+ 0 0 22 -4,-2.8 4,-1.5 1,-0.3 3,-1.3 0.905 103.4 55.2 -46.3 -50.0 -7.0 -13.2 23.3 66 66 A Y H 3X>S+ 0 0 35 -4,-1.1 5,-1.1 -5,-0.5 4,-0.9 0.853 116.3 37.5 -53.5 -36.8 -3.5 -12.9 24.7 67 67 A Q H <<5S+ 0 0 69 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.447 103.8 75.5 -94.1 -2.7 -2.9 -10.1 22.3 68 68 A H H <<5S+ 0 0 117 -3,-1.3 -2,-0.2 -4,-1.1 -3,-0.2 0.898 103.5 34.0 -74.5 -42.6 -6.5 -8.8 22.8 69 69 A A H <5S- 0 0 74 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.1 0.974 144.4 -50.5 -76.5 -60.9 -5.8 -7.3 26.2 70 70 A G T <5 - 0 0 27 -4,-0.9 -3,-0.2 -5,-0.2 3,-0.1 0.217 66.4-104.3-167.0 19.9 -2.2 -6.1 25.8 71 71 A R S S- 0 0 57 -6,-0.6 3,-1.6 1,-0.1 -1,-0.2 -0.610 71.4-112.7-104.7 166.4 1.2 -9.4 27.9 73 73 A S G > S+ 0 0 58 1,-0.3 3,-1.0 -2,-0.2 11,-0.2 0.744 116.7 63.3 -68.1 -23.2 1.8 -12.5 30.1 74 74 A W G 3 S+ 0 0 173 1,-0.2 -1,-0.3 9,-0.1 -3,-0.0 0.416 77.8 88.8 -81.1 2.2 -1.0 -11.3 32.4 75 75 A N G < + 0 0 1 -3,-1.6 2,-1.0 -9,-0.1 -1,-0.2 0.633 63.5 96.5 -73.6 -13.5 -3.4 -11.8 29.5 76 76 A a < + 0 0 24 -3,-1.0 8,-0.1 1,-0.2 -1,-0.1 -0.684 34.7 145.5 -82.7 102.0 -3.9 -15.4 30.6 77 77 A D + 0 0 84 -2,-1.0 -1,-0.2 1,-0.0 3,-0.1 0.253 42.9 97.8-118.0 7.6 -7.0 -15.4 32.7 78 78 A F S S- 0 0 8 4,-0.3 2,-0.3 1,-0.2 -47,-0.1 0.994 93.6 -65.7 -59.1 -68.6 -8.3 -18.8 31.6 79 79 A S - 0 0 52 3,-0.5 -1,-0.2 -48,-0.1 3,-0.1 -0.971 52.9 -73.0-171.9 178.0 -7.0 -20.9 34.6 80 80 A Q S S+ 0 0 189 -2,-0.3 3,-0.1 1,-0.2 -55,-0.1 0.511 127.0 57.7 -65.1 -1.9 -3.9 -22.1 36.4 81 81 A T S S+ 0 0 14 1,-0.2 -64,-1.1 -57,-0.1 2,-1.0 0.889 94.3 61.2 -93.2 -52.5 -3.5 -24.5 33.4 82 82 A A E S+A 16 0A 1 -66,-0.3 -3,-0.5 -68,-0.1 2,-0.3 -0.682 77.9 121.9 -82.4 102.0 -3.3 -22.1 30.5 83 83 A T E -A 15 0A 64 -68,-1.3 -68,-2.3 -2,-1.0 2,-0.2 -0.887 67.8 -57.6-148.9 178.1 -0.2 -19.9 31.1 84 84 A L E -A 14 0A 48 -70,-0.3 -70,-0.3 -2,-0.3 2,-0.2 -0.456 55.4-161.7 -66.3 126.8 3.1 -18.9 29.7 85 85 A T E -A 13 0A 27 -72,-2.6 -72,-0.8 1,-0.3 -1,-0.0 -0.596 25.0 -83.9-106.4 169.4 5.3 -21.9 29.0 86 86 A N S S- 0 0 134 -2,-0.2 -73,-0.3 -74,-0.1 -1,-0.3 0.290 79.2 -36.3 -54.1-167.6 9.1 -22.3 28.4 87 87 A T S S- 0 0 110 1,-0.2 -74,-0.1 -75,-0.1 -75,-0.1 0.198 103.3 -44.1 -45.1 175.9 10.7 -21.7 25.0 88 88 A N - 0 0 69 1,-0.2 -1,-0.2 -76,-0.1 -2,-0.1 -0.277 54.9-165.7 -52.0 106.0 8.8 -22.8 21.8 89 89 A P + 0 0 52 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.663 49.2 123.2 -69.8 -16.4 7.5 -26.3 22.8 90 90 A S - 0 0 22 1,-0.2 5,-0.1 6,-0.1 3,-0.0 -0.286 45.1-168.4 -52.0 110.5 6.8 -26.9 19.2 91 91 A Y - 0 0 200 3,-0.3 2,-0.2 -2,-0.2 -1,-0.2 0.653 60.9 -68.5 -77.2 -15.7 8.7 -30.1 18.4 92 92 A G S S+ 0 0 39 2,-0.8 -2,-0.0 -3,-0.0 -1,-0.0 -0.799 116.1 24.8 168.6-122.4 8.1 -29.6 14.7 93 93 A A S S+ 0 0 95 -2,-0.2 2,-1.0 1,-0.1 -3,-0.1 0.844 110.9 75.9 -40.1 -42.8 5.0 -29.8 12.5 94 94 A c S S- 0 0 43 -5,-0.1 -2,-0.8 -46,-0.1 2,-0.5 -0.640 72.5-170.7 -78.6 102.3 3.0 -29.0 15.6 95 95 A N - 0 0 121 -2,-1.0 -47,-0.1 -5,-0.1 -2,-0.1 -0.822 15.3-134.3 -99.0 130.9 3.5 -25.3 16.2 96 96 A F - 0 0 61 -2,-0.5 2,-0.4 1,-0.1 -6,-0.1 -0.572 27.9-103.3 -83.9 144.4 2.2 -23.7 19.5 97 97 A P + 0 0 32 0, 0.0 -83,-0.3 0, 0.0 -1,-0.1 -0.518 39.6 170.9 -69.8 120.3 0.3 -20.4 19.4 98 98 A S - 0 0 34 2,-0.4 -86,-0.2 -2,-0.4 3,-0.1 0.329 67.4 -83.3-110.2 3.0 2.5 -17.5 20.6 99 99 A G S S+ 0 0 1 1,-0.4 2,-0.2 -90,-0.1 -32,-0.1 -0.212 101.1 101.4 124.8 -43.4 0.1 -14.8 19.6 100 100 A S 0 0 67 1,-0.1 -1,-0.4 -33,-0.0 -2,-0.4 -0.526 360.0 360.0 -77.8 141.1 0.7 -14.3 15.9 101 101 A N 0 0 194 -2,-0.2 -1,-0.1 -3,-0.1 -37,-0.0 0.911 360.0 360.0 -81.7 360.0 -1.7 -15.9 13.4