==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, ALLERGEN 03-NOV-08 3F55 . COMPND 2 MOLECULE: BETA-1,3-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEVEA BRASILIENSIS; . AUTHOR D.FUENTES-SILVA,A.RODRIGUEZ-ROMERO . 1264 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 898 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 158 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 102 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 166 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 337 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.4 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 5 1 4 4 0 0 0 8 0 4 10 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 11 8 9 4 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 . 4 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 8 4 0 0 0 0 0 4 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 X 0 0 115 0, 0.0 280,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 132.8 38.0 -4.5 -11.6 2 2 A V - 0 0 8 313,-0.4 27,-0.5 278,-0.1 28,-0.5 -0.445 360.0-145.7 -60.2 138.6 39.1 -5.0 -8.0 3 3 A G E -a 282 0A 0 278,-3.5 280,-3.3 26,-0.1 2,-0.4 -0.624 7.3-139.9 -93.7 168.4 41.6 -2.6 -6.6 4 4 A V E -ab 283 31A 0 26,-2.8 28,-1.0 278,-0.3 2,-0.5 -0.991 15.2-121.9-134.8 128.1 44.2 -3.5 -4.0 5 5 A C E -ab 284 32A 0 278,-4.1 281,-2.3 -2,-0.4 2,-1.5 -0.517 18.9-142.5 -71.3 116.5 45.4 -1.4 -1.1 6 6 A Y - 0 0 7 26,-1.7 28,-0.4 -2,-0.5 2,-0.3 -0.633 26.0-175.1 -81.8 92.2 49.1 -0.7 -1.2 7 7 A G - 0 0 0 -2,-1.5 280,-0.3 280,-0.1 26,-0.0 -0.648 11.5-171.0 -87.9 147.2 50.0 -0.9 2.4 8 8 A M + 0 0 58 -2,-0.3 2,-1.5 1,-0.1 5,-0.1 0.305 45.5 111.7-124.7 13.3 53.6 -0.0 3.4 9 9 A Q + 0 0 108 278,-0.1 282,-2.6 2,-0.0 283,-0.5 -0.405 54.3 99.7 -92.0 67.6 54.3 -0.9 7.0 10 10 A G - 0 0 15 -2,-1.5 3,-0.3 279,-0.2 279,-0.1 -0.958 62.8-144.0-139.8 154.7 56.7 -3.7 6.6 11 11 A N S S+ 0 0 127 -2,-0.3 278,-0.1 1,-0.2 -2,-0.0 0.247 99.1 46.0-104.3 12.7 60.5 -3.9 6.8 12 12 A N S S+ 0 0 74 2,-0.1 -1,-0.2 0, 0.0 277,-0.0 0.003 78.8 134.3-142.0 29.7 60.9 -6.5 4.0 13 13 A L - 0 0 40 -3,-0.3 3,-0.1 -5,-0.1 293,-0.1 -0.521 61.8 -93.8 -86.4 153.3 58.6 -5.2 1.3 14 14 A P - 0 0 10 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 -0.337 55.7 -83.3 -63.4 139.8 59.6 -5.0 -2.4 15 15 A P >> - 0 0 73 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.072 46.0-106.7 -43.5 140.0 61.0 -1.7 -3.7 16 16 A V H 3> S+ 0 0 38 1,-0.3 4,-0.9 2,-0.2 5,-0.1 0.748 120.9 50.2 -41.6 -33.1 58.2 0.8 -4.6 17 17 A S H 3> S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.880 106.4 51.4 -79.2 -38.7 58.9 0.2 -8.3 18 18 A E H <> S+ 0 0 88 -3,-0.9 4,-2.8 1,-0.2 -2,-0.2 0.831 107.7 57.7 -66.0 -28.0 58.8 -3.6 -8.2 19 19 A V H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.827 105.5 46.6 -70.8 -33.3 55.5 -3.2 -6.4 20 20 A I H X S+ 0 0 10 -4,-0.9 4,-2.6 -3,-0.3 -1,-0.2 0.831 112.3 53.5 -76.0 -30.9 54.1 -1.2 -9.3 21 21 A A H X S+ 0 0 52 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.999 106.3 49.1 -61.4 -66.5 55.5 -3.9 -11.6 22 22 A L H X S+ 0 0 25 -4,-2.8 4,-0.9 1,-0.2 6,-0.2 0.840 113.3 52.4 -39.7 -42.5 53.8 -6.7 -9.8 23 23 A Y H >X>S+ 0 0 0 -4,-1.3 3,-2.1 1,-0.2 5,-1.7 0.992 107.6 45.6 -59.2 -68.9 50.6 -4.7 -10.0 24 24 A K H 3<5S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.751 120.3 43.5 -50.3 -27.0 50.6 -4.0 -13.7 25 25 A K H 3<5S+ 0 0 173 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.496 106.2 57.0-100.6 -3.4 51.4 -7.6 -14.3 26 26 A S H <<5S- 0 0 21 -3,-2.1 289,-0.4 -4,-0.9 -2,-0.2 0.411 116.0-115.3 -97.9 -4.7 49.0 -9.2 -11.8 27 27 A N T <5 + 0 0 85 -4,-0.9 2,-0.8 1,-0.3 -3,-0.2 0.657 64.0 152.0 78.0 20.9 46.3 -7.3 -13.7 28 28 A I < + 0 0 2 -5,-1.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.747 18.1 178.0 -84.0 111.1 45.5 -5.1 -10.7 29 29 A T + 0 0 59 -2,-0.8 21,-2.1 -27,-0.5 2,-0.4 0.368 59.4 59.8 -96.8 3.8 44.2 -1.8 -12.3 30 30 A R E - c 0 50A 29 -28,-0.5 -26,-2.8 19,-0.2 2,-0.3 -0.988 58.6-179.9-140.0 131.0 43.3 -0.0 -9.1 31 31 A M E -bc 4 51A 0 19,-3.1 21,-1.6 -2,-0.4 2,-0.4 -0.832 11.9-156.0-124.1 159.4 45.5 1.0 -6.2 32 32 A R E -bc 5 52A 1 -28,-1.0 -26,-1.7 -2,-0.3 2,-0.3 -0.958 10.8-176.1-140.0 119.9 45.0 2.8 -2.9 33 33 A I - 0 0 1 19,-2.4 21,-0.4 -2,-0.4 -26,-0.1 -0.788 23.9-142.6-111.9 159.5 47.6 4.6 -0.9 34 34 A Y S S+ 0 0 51 -28,-0.4 58,-0.1 -2,-0.3 19,-0.1 0.409 82.7 19.5-101.0 2.7 47.3 6.3 2.5 35 35 A D S S- 0 0 62 20,-0.1 2,-3.8 21,-0.1 -1,-0.2 -0.972 89.9 -93.4-165.2 151.8 49.5 9.3 1.8 36 36 A P - 0 0 20 0, 0.0 2,-0.6 0, 0.0 17,-0.1 -0.282 52.5-173.3 -69.0 63.7 50.9 11.2 -1.2 37 37 A N >> - 0 0 43 -2,-3.8 4,-2.2 1,-0.2 3,-0.5 -0.502 15.8-151.4 -66.0 110.9 54.1 9.0 -1.0 38 38 A Q H 3> S+ 0 0 57 -2,-0.6 4,-1.9 1,-0.2 5,-0.2 0.836 91.6 57.2 -51.0 -46.5 56.4 10.6 -3.5 39 39 A A H 3> S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 112.7 43.7 -53.9 -43.6 58.3 7.4 -4.3 40 40 A V H <> S+ 0 0 0 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.865 108.0 54.5 -70.1 -44.1 55.0 5.8 -5.3 41 41 A L H < S+ 0 0 0 -4,-2.2 4,-0.2 2,-0.2 -1,-0.2 0.855 112.6 45.9 -62.0 -32.8 53.5 8.7 -7.3 42 42 A E H >< S+ 0 0 74 -4,-1.9 3,-2.3 -5,-0.2 -2,-0.2 0.966 111.1 52.0 -70.3 -53.4 56.7 8.7 -9.4 43 43 A A H 3< S+ 0 0 34 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.754 105.4 57.2 -52.7 -30.8 56.6 4.9 -9.8 44 44 A L T >< S+ 0 0 0 -4,-1.9 3,-1.3 -5,-0.1 5,-0.3 0.524 75.2 131.5 -81.6 -7.7 53.0 5.1 -11.0 45 45 A R T < S- 0 0 93 -3,-2.3 39,-0.2 1,-0.3 38,-0.1 -0.201 83.3 -4.8 -51.2 129.0 53.8 7.4 -13.9 46 46 A G T 3 S+ 0 0 51 37,-2.1 -1,-0.3 1,-0.1 38,-0.2 0.866 97.3 118.6 52.7 44.4 52.2 6.2 -17.1 47 47 A S < - 0 0 7 -3,-1.3 -2,-0.1 36,-0.7 3,-0.1 0.515 68.9-137.8-110.6 -14.1 50.9 2.9 -15.5 48 48 A N + 0 0 98 35,-0.5 2,-0.8 -4,-0.3 36,-0.1 0.631 53.2 146.1 64.3 12.9 47.2 3.6 -16.1 49 49 A I - 0 0 2 -5,-0.3 36,-0.4 -19,-0.1 -1,-0.2 -0.740 49.8-130.2 -84.5 111.3 46.6 2.2 -12.6 50 50 A E E -c 30 0A 36 -21,-2.1 -19,-3.1 -2,-0.8 2,-0.4 -0.299 31.1-153.4 -59.7 144.5 43.7 4.2 -11.1 51 51 A L E -cd 31 86A 0 34,-2.2 36,-2.9 -21,-0.2 37,-1.5 -0.965 26.6-149.1-135.1 143.2 44.5 5.5 -7.6 52 52 A I E -cd 32 88A 0 -21,-1.6 -19,-2.4 -2,-0.4 2,-0.6 -0.918 26.8-158.5-103.4 106.5 42.9 6.5 -4.4 53 53 A L E - d 0 89A 0 35,-2.7 37,-1.4 -2,-0.8 2,-0.3 -0.792 12.4-150.6 -89.9 122.1 45.2 9.2 -3.0 54 54 A G E - d 0 90A 2 -2,-0.6 37,-0.2 -21,-0.4 39,-0.1 -0.692 14.1-140.6-103.6 149.0 44.8 9.6 0.7 55 55 A V E - d 0 91A 4 35,-2.7 37,-1.2 -2,-0.3 -20,-0.1 -0.876 31.4-124.1 -99.3 114.7 45.1 12.5 3.1 56 56 A P >> - 0 0 29 0, 0.0 3,-2.9 0, 0.0 4,-0.7 -0.330 19.4-121.9 -56.6 138.6 46.8 11.4 6.4 57 57 A N T 34 S+ 0 0 43 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.767 113.8 62.0 -54.8 -24.5 44.6 12.2 9.4 58 58 A S T 34 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.331 102.8 49.9 -84.4 8.4 47.5 14.2 10.7 59 59 A D T <> S+ 0 0 52 -3,-2.9 4,-2.5 2,-0.1 -1,-0.2 0.438 85.1 88.3-116.9 -12.0 47.4 16.5 7.7 60 60 A L T < S+ 0 0 0 -4,-0.7 4,-0.5 -3,-0.5 -2,-0.1 0.948 89.5 47.1 -53.5 -54.2 43.7 17.2 7.9 61 61 A Q T >4 S+ 0 0 121 -4,-0.5 3,-1.9 1,-0.2 -1,-0.2 0.920 110.9 52.1 -54.1 -48.3 44.2 20.2 10.2 62 62 A S G >4 S+ 0 0 49 1,-0.3 3,-0.9 -4,-0.2 6,-0.3 0.893 110.0 50.1 -55.1 -41.5 46.9 21.6 8.0 63 63 A L G 3< S+ 0 0 2 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.468 86.7 82.4 -79.6 -0.3 44.6 21.3 5.0 64 64 A T G < S+ 0 0 45 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.379 80.9 80.7 -82.8 8.1 41.8 23.1 6.8 65 65 A N S X> S- 0 0 75 -3,-0.9 4,-1.9 1,-0.1 3,-0.9 -0.958 82.5-140.6-114.4 113.3 43.7 26.2 5.6 66 66 A P H 3> S+ 0 0 76 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.840 101.2 55.9 -37.5 -48.9 43.0 27.1 2.0 67 67 A S H 3> S+ 0 0 9 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.900 108.5 44.9 -55.5 -47.8 46.6 28.0 1.5 68 68 A N H <> S+ 0 0 50 -3,-0.9 4,-1.6 -6,-0.3 -1,-0.2 0.847 113.1 52.6 -67.5 -31.8 47.9 24.6 2.6 69 69 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 3,-0.3 0.945 105.8 51.8 -67.5 -50.8 45.3 22.8 0.5 70 70 A K H X S+ 0 0 58 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.873 114.1 46.5 -52.6 -38.5 46.2 24.7 -2.7 71 71 A S H X S+ 0 0 22 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.789 108.9 52.5 -75.6 -31.7 49.8 23.6 -2.1 72 72 A W H X>S+ 0 0 22 -4,-1.6 4,-2.9 -3,-0.3 5,-0.6 0.900 113.6 44.6 -70.7 -41.5 49.0 20.0 -1.3 73 73 A V H X>S+ 0 0 1 -4,-2.5 5,-3.5 3,-0.2 4,-1.5 0.897 113.2 50.7 -68.7 -42.3 47.0 19.7 -4.5 74 74 A Q H <>S+ 0 0 24 -4,-1.9 5,-0.8 -5,-0.3 -2,-0.2 0.969 120.6 33.9 -60.5 -52.6 49.7 21.5 -6.5 75 75 A K H <5S+ 0 0 73 -4,-2.2 -2,-0.2 3,-0.2 -3,-0.2 0.914 133.0 25.1 -69.5 -49.0 52.5 19.3 -5.2 76 76 A N H <5S+ 0 0 3 -4,-2.9 -3,-0.2 -5,-0.2 4,-0.2 0.782 133.8 25.2 -91.8 -28.7 50.7 15.9 -4.8 77 77 A V T < > S+ 0 0 0 -4,-0.2 4,-2.7 1,-0.2 3,-0.6 0.054 86.2 133.9-110.1 22.8 51.3 13.9 -11.5 81 81 A W T <4>S+ 0 0 107 -3,-0.6 5,-0.5 1,-0.2 -1,-0.2 0.842 79.3 16.7 -45.4 -59.8 48.0 14.8 -13.1 82 82 A S T 345S+ 0 0 92 -4,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.438 124.2 57.3-103.3 -0.8 47.9 13.0 -16.4 83 83 A S T <45S+ 0 0 30 -3,-0.6 -37,-2.1 1,-0.3 -36,-0.7 0.834 110.6 41.9 -95.2 -41.8 50.8 10.6 -15.7 84 84 A V T <5S- 0 0 0 -4,-2.7 2,-1.3 -39,-0.2 -1,-0.3 -0.912 89.7-128.1-105.1 132.6 49.3 9.0 -12.6 85 85 A R T 5 - 0 0 114 -2,-0.5 -34,-2.2 -36,-0.4 2,-0.3 -0.624 25.0-165.8 -84.6 92.0 45.6 8.2 -12.9 86 86 A F E < +d 51 0A 14 -2,-1.3 -34,-0.2 -5,-0.5 3,-0.1 -0.559 17.3 166.6 -75.8 135.6 44.0 9.8 -9.8 87 87 A R E + 0 0 60 -36,-2.9 43,-2.2 1,-0.5 2,-0.3 0.731 62.9 0.3-116.5 -44.6 40.4 8.6 -9.2 88 88 A Y E -de 52 130A 10 -37,-1.5 -35,-2.7 41,-0.2 2,-0.5 -0.965 54.2-140.8-144.7 157.2 39.5 9.7 -5.7 89 89 A I E -de 53 131A 0 41,-1.8 43,-2.3 -2,-0.3 2,-1.3 -0.947 18.5-152.2-121.7 103.0 41.2 11.6 -2.9 90 90 A A E -de 54 132A 1 -37,-1.4 -35,-2.7 -2,-0.5 2,-1.0 -0.650 9.2-160.4 -81.3 96.3 40.3 10.0 0.4 91 91 A V E -d 55 0A 0 41,-3.8 22,-0.1 -2,-1.3 -37,-0.1 -0.673 66.0 -8.4 -79.6 103.8 40.5 12.9 2.9 92 92 A G E S- 0 0 0 -37,-1.2 42,-1.8 -2,-1.0 2,-0.4 0.168 73.5-127.8 86.4 149.0 40.8 11.2 6.2 93 93 A N E S- e 0 134A 37 40,-0.2 42,-0.2 -39,-0.1 -36,-0.1 -0.983 78.9 -12.4-138.2 121.9 40.5 7.5 6.9 94 94 A E S S+ 0 0 55 40,-2.8 41,-0.2 -2,-0.4 2,-0.2 0.782 82.7 172.3 60.1 34.3 38.1 6.1 9.5 95 95 A I - 0 0 0 39,-0.7 -1,-0.2 10,-0.1 41,-0.1 -0.502 6.2-179.4 -77.1 142.3 37.5 9.4 11.3 96 96 A S - 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