==== 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 23-SEP-08 3EM5 . 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) . 49778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 906 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 154 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 3.3 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 . 170 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 345 27.3 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 6 1 3 6 0 1 3 4 0 2 8 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 13 8 7 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 . 5 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 0 113 0, 0.0 280,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 157.8 7.9 16.3 7.2 2 2 A V - 0 0 7 313,-0.4 27,-0.5 278,-0.1 28,-0.3 -0.599 360.0-153.4 -79.1 147.1 6.7 13.1 8.9 3 3 A G E -a 282 0A 0 278,-2.5 280,-4.1 -2,-0.2 2,-0.4 -0.760 2.0-147.8-111.9 165.1 7.6 12.3 12.5 4 4 A V E -ab 283 31A 0 26,-2.0 28,-1.1 278,-0.3 280,-0.2 -0.998 17.8-121.0-134.9 133.7 7.9 8.9 14.1 5 5 A C E - b 0 32A 0 278,-3.8 281,-2.6 -2,-0.4 2,-0.8 -0.437 16.7-143.2 -71.3 141.0 7.1 8.0 17.7 6 6 A Y + 0 0 6 26,-3.5 28,-0.4 279,-0.2 2,-0.3 -0.770 24.8 176.8-108.6 86.5 9.9 6.5 19.8 7 7 A G - 0 0 2 -2,-0.8 280,-0.3 280,-0.2 26,-0.0 -0.712 11.6-172.5 -87.8 142.3 8.3 3.9 22.0 8 8 A M + 0 0 47 -2,-0.3 2,-1.9 1,-0.1 5,-0.1 0.182 47.1 115.7-121.5 16.9 10.8 1.9 24.2 9 9 A Q + 0 0 111 280,-0.1 282,-1.9 2,-0.0 283,-0.4 -0.384 54.8 101.5 -86.4 62.0 8.6 -0.8 25.7 10 10 A G > - 0 0 6 -2,-1.9 3,-0.8 280,-0.2 279,-0.1 -0.987 66.3-143.1-145.4 133.8 10.6 -3.5 24.0 11 11 A N T 3 S+ 0 0 29 -2,-0.3 583,-0.1 1,-0.2 582,-0.1 0.343 95.7 48.2 -80.5 2.2 13.3 -5.8 25.4 12 12 A N T 3 S+ 0 0 23 579,-0.0 -1,-0.2 2,-0.0 579,-0.1 0.060 78.2 137.8-128.4 24.8 15.6 -5.9 22.3 13 13 A L < - 0 0 28 -3,-0.8 3,-0.1 -5,-0.1 293,-0.0 -0.458 55.2-102.8 -78.7 147.4 15.9 -2.3 21.3 14 14 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.075 54.7 -73.5 -60.2 162.5 19.0 -0.5 20.1 15 15 A P >> - 0 0 45 0, 0.0 4,-2.0 0, 0.0 3,-1.9 -0.307 44.3-113.7 -62.1 140.2 21.0 1.8 22.4 16 16 A V H 3> S+ 0 0 36 1,-0.3 4,-1.2 2,-0.2 0, 0.0 0.823 119.2 52.6 -41.8 -36.0 19.3 5.2 23.0 17 17 A S H 3> S+ 0 0 82 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.792 105.5 51.0 -75.7 -28.5 22.2 6.7 21.1 18 18 A E H <> S+ 0 0 36 -3,-1.9 4,-3.1 2,-0.2 3,-0.3 0.882 105.2 57.6 -74.4 -37.9 22.0 4.4 18.0 19 19 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.896 104.3 51.9 -57.4 -42.6 18.3 5.2 17.6 20 20 A I H X S+ 0 0 12 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.810 110.9 47.9 -65.3 -31.5 19.0 8.9 17.4 21 21 A A H X S+ 0 0 54 -4,-0.9 4,-3.4 -3,-0.3 5,-0.3 0.953 107.4 54.8 -71.9 -51.6 21.5 8.2 14.6 22 22 A L H X S+ 0 0 10 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.890 109.2 49.8 -45.5 -45.3 19.1 5.9 12.8 23 23 A Y H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 -1,-0.2 0.956 111.4 47.5 -58.3 -53.1 16.7 9.0 12.9 24 24 A K H ><5S+ 0 0 109 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.894 114.2 47.4 -55.4 -44.1 19.4 11.2 11.5 25 25 A K H 3<5S+ 0 0 166 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 110.1 50.9 -70.0 -33.5 20.3 8.7 8.8 26 26 A S T 3<5S- 0 0 20 -4,-2.3 -1,-0.3 -5,-0.3 289,-0.2 0.269 112.0-121.2 -87.4 10.8 16.7 8.2 7.8 27 27 A N T < 5 + 0 0 101 -3,-1.1 2,-0.6 1,-0.2 -3,-0.2 0.882 58.3 155.2 48.0 45.2 16.3 11.9 7.5 28 28 A I < - 0 0 2 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.920 19.5-178.8 -99.9 117.7 13.5 11.9 10.1 29 29 A T + 0 0 55 -2,-0.6 21,-2.7 -27,-0.5 2,-0.3 0.146 57.8 61.3-108.9 21.3 13.4 15.3 11.7 30 30 A R E + c 0 50A 23 -28,-0.3 -26,-2.0 19,-0.2 2,-0.3 -0.952 57.2 179.8-150.6 126.9 10.6 14.9 14.3 31 31 A M E -bc 4 51A 0 19,-2.8 21,-2.2 -2,-0.3 2,-0.4 -0.942 12.8-153.6-129.3 147.9 10.3 12.5 17.3 32 32 A R E -bc 5 52A 2 -28,-1.1 -26,-3.5 -2,-0.3 2,-0.3 -0.965 12.9-178.4-122.0 138.5 7.7 11.8 20.0 33 33 A I - 0 0 4 19,-2.2 -26,-0.1 -2,-0.4 21,-0.1 -0.895 24.5-146.3-131.0 154.9 8.4 10.3 23.4 34 34 A Y S S+ 0 0 55 -28,-0.4 58,-0.1 -2,-0.3 19,-0.1 0.509 82.8 33.2-102.9 1.5 6.1 9.4 26.3 35 35 A D S S- 0 0 53 20,-0.1 2,-2.0 21,-0.1 19,-0.3 -0.960 87.0-106.0-145.4 161.6 8.4 10.3 29.1 36 36 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 17,-0.1 -0.473 49.8-169.8 -83.1 66.4 11.1 12.9 29.8 37 37 A N > - 0 0 38 -2,-2.0 4,-3.4 1,-0.2 5,-0.2 -0.460 16.1-152.5 -66.2 116.7 13.7 10.1 29.5 38 38 A Q H > S+ 0 0 70 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.888 94.5 48.2 -59.1 -43.8 17.1 11.5 30.6 39 39 A A H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 115.3 46.4 -64.3 -39.7 19.2 9.2 28.4 40 40 A V H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.932 110.7 51.5 -67.0 -46.9 17.0 10.1 25.4 41 41 A L H X S+ 0 0 0 -4,-3.4 4,-0.7 1,-0.2 3,-0.2 0.902 111.2 49.6 -57.4 -39.5 17.1 13.8 26.1 42 42 A E H >< S+ 0 0 94 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.2 0.943 108.3 51.7 -64.4 -47.7 20.9 13.6 26.3 43 43 A A H 3< S+ 0 0 31 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.738 104.1 58.8 -61.8 -25.3 21.2 11.7 23.0 44 44 A L H >< S+ 0 0 1 -4,-1.5 3,-2.7 -3,-0.2 4,-0.4 0.673 74.2 123.5 -79.8 -17.9 19.0 14.3 21.2 45 45 A R T << S+ 0 0 103 -3,-1.2 39,-0.2 -4,-0.7 38,-0.1 -0.180 87.2 0.6 -47.6 125.6 21.4 17.2 22.1 46 46 A G T 3 S+ 0 0 56 37,-2.7 -1,-0.3 1,-0.1 38,-0.1 0.542 98.3 114.3 70.9 8.7 22.5 18.9 18.8 47 47 A S < - 0 0 9 -3,-2.7 -2,-0.1 36,-0.4 3,-0.1 0.745 69.6-141.1 -80.8 -25.7 20.4 16.5 16.6 48 48 A N + 0 0 103 -4,-0.4 2,-0.5 35,-0.3 -3,-0.1 0.582 50.3 148.4 72.8 8.7 18.1 19.3 15.4 49 49 A I - 0 0 3 -5,-0.4 36,-0.4 -19,-0.1 -1,-0.3 -0.657 50.6-126.5 -77.1 120.4 15.3 16.7 15.7 50 50 A E E -c 30 0A 21 -21,-2.7 -19,-2.8 -2,-0.5 2,-0.3 -0.529 33.9-153.1 -69.0 131.0 12.0 18.4 16.6 51 51 A L E -cd 31 86A 0 34,-2.2 36,-3.0 -2,-0.3 37,-1.9 -0.856 26.5-155.8-119.0 147.0 10.6 16.8 19.7 52 52 A I E -cd 32 88A 0 -21,-2.2 -19,-2.2 -2,-0.3 2,-0.4 -0.948 26.0-156.8-111.0 102.4 7.2 16.2 21.3 53 53 A L E - d 0 89A 0 35,-2.7 37,-2.3 -2,-0.7 2,-0.3 -0.720 10.1-149.2 -84.6 130.9 8.0 15.7 25.0 54 54 A G E - d 0 90A 3 -2,-0.4 37,-0.2 -19,-0.3 -20,-0.1 -0.749 12.2-143.7-106.0 150.3 5.4 13.7 26.9 55 55 A V E - d 0 91A 4 35,-2.4 37,-1.1 -2,-0.3 -20,-0.1 -0.953 34.0-121.4-104.8 118.3 4.2 13.9 30.5 56 56 A P > - 0 0 28 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.257 18.1-119.6 -56.9 146.7 3.3 10.3 31.5 57 57 A N G > S+ 0 0 41 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.862 112.7 64.8 -58.1 -32.1 -0.3 9.9 32.7 58 58 A S G 3 S+ 0 0 101 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.638 99.9 50.8 -66.6 -14.6 1.1 8.8 36.1 59 59 A D G <> S+ 0 0 51 -3,-2.0 4,-1.9 1,-0.1 -1,-0.2 0.480 83.5 91.7-100.6 -4.3 2.7 12.3 36.7 60 60 A L H <> S+ 0 0 0 -3,-1.2 4,-0.8 -4,-0.5 3,-0.2 0.929 84.1 49.9 -56.5 -53.3 -0.4 14.4 36.0 61 61 A Q H >4 S+ 0 0 124 -4,-0.4 3,-1.5 1,-0.3 4,-0.3 0.948 111.8 51.7 -52.0 -46.6 -1.7 14.6 39.6 62 62 A S H >4 S+ 0 0 53 -4,-0.3 3,-1.1 1,-0.3 -1,-0.3 0.870 107.3 52.6 -58.2 -38.4 1.8 15.6 40.6 63 63 A L H 3< S+ 0 0 4 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.494 86.6 78.6 -80.0 -3.8 1.9 18.4 38.0 64 64 A T T << S+ 0 0 43 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.605 80.7 84.9 -76.6 -8.7 -1.4 20.0 39.1 65 65 A N S <> S- 0 0 75 -3,-1.1 4,-1.9 -4,-0.3 3,-0.5 -0.842 80.5-143.8 -95.1 112.9 0.8 21.4 41.9 66 66 A P H > S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.822 99.2 51.6 -41.6 -44.8 2.6 24.6 40.6 67 67 A S H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.953 108.8 49.6 -62.6 -48.4 5.8 23.8 42.5 68 68 A N H > S+ 0 0 69 -3,-0.5 4,-2.3 -6,-0.2 -1,-0.2 0.849 112.4 49.2 -59.3 -33.5 6.0 20.3 41.1 69 69 A A H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.877 107.4 53.1 -74.0 -38.8 5.5 21.7 37.5 70 70 A K H X S+ 0 0 128 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.962 112.3 46.3 -58.9 -49.2 8.1 24.4 37.9 71 71 A S H X S+ 0 0 75 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.932 111.8 51.1 -56.8 -51.0 10.6 21.7 39.0 72 72 A W H X S+ 0 0 19 -4,-2.3 4,-2.8 1,-0.2 5,-0.4 0.918 111.4 45.7 -54.0 -50.9 9.6 19.4 36.1 73 73 A V H X>S+ 0 0 2 -4,-2.8 5,-2.7 1,-0.2 4,-1.2 0.822 114.4 51.2 -65.8 -29.5 10.0 22.1 33.4 74 74 A Q H <>S+ 0 0 102 -4,-1.9 5,-1.1 -5,-0.3 -2,-0.2 0.894 116.7 38.1 -70.6 -44.6 13.3 23.0 35.1 75 75 A K H <5S+ 0 0 130 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.804 128.3 28.5 -75.7 -37.6 14.6 19.4 35.1 76 76 A N H <5S+ 0 0 4 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.563 132.0 19.4-106.0 -14.3 13.3 18.1 31.8 77 77 A V T >X5S+ 0 0 0 -4,-1.2 3,-1.8 -5,-0.4 4,-0.9 0.702 118.3 46.8-117.2 -58.3 13.1 21.2 29.5 78 78 A R G >4 S+ 0 0 8 -3,-1.8 4,-3.3 4,-0.1 3,-1.7 0.526 85.4 106.5-116.6 -6.9 18.1 21.0 27.7 81 81 A W T << S+ 0 0 106 -4,-0.9 5,-0.2 -3,-0.7 -2,-0.1 0.816 82.4 44.9 -42.9 -53.1 16.7 24.1 25.7 82 82 A S T 34 S+ 0 0 119 -4,-0.4 -1,-0.3 1,-0.2 3,-0.1 0.600 127.5 33.2 -71.0 -12.7 19.8 25.3 23.9 83 83 A S T <4 S+ 0 0 29 -3,-1.7 -37,-2.7 1,-0.2 2,-0.5 0.650 112.1 58.9-116.7 -26.2 20.6 21.7 23.0 84 84 A V S < S- 0 0 3 -4,-3.3 2,-1.8 -39,-0.2 -1,-0.2 -0.939 74.2-136.1-113.7 129.3 17.3 20.0 22.5 85 85 A R - 0 0 124 -2,-0.5 -34,-2.2 -36,-0.4 2,-0.2 -0.465 28.6-171.0 -85.8 75.1 14.8 21.2 19.9 86 86 A F E +d 51 0A 11 -2,-1.8 -34,-0.2 -5,-0.2 3,-0.1 -0.393 18.7 160.3 -71.7 127.1 11.5 21.1 21.9 87 87 A R E + 0 0 65 -36,-3.0 43,-2.1 1,-0.4 2,-0.3 0.714 60.5 18.2-111.7 -40.2 8.3 21.6 19.9 88 88 A Y E -de 52 130A 12 -37,-1.9 -35,-2.7 41,-0.2 2,-0.6 -0.985 52.8-152.0-132.9 152.8 5.3 20.2 21.8 89 89 A I E -de 53 131A 0 41,-2.6 43,-2.5 -2,-0.3 2,-1.4 -0.925 15.7-157.7-123.8 103.3 4.7 19.2 25.4 90 90 A A E -de 54 132A 2 -37,-2.3 -35,-2.4 -2,-0.6 2,-1.2 -0.649 6.1-165.5 -83.9 90.7 2.0 16.5 25.4 91 91 A V E -d 55 0A 0 41,-3.1 22,-0.1 -2,-1.4 -37,-0.1 -0.654 63.4 -7.7 -78.4 97.2 0.6 16.7 28.9 92 92 A G E - 0 0 1 -2,-1.2 42,-1.5 -37,-1.1 2,-0.3 -0.082 69.8-125.9 98.9 160.2 -1.4 13.5 29.1 93 93 A N E S- e 0 134A 32 40,-0.1 42,-0.2 -39,-0.1 -36,-0.1 -0.917 75.1 -17.4-151.5 119.1 -2.2 10.8 26.6 94 94 A E S S+ 0 0 50 40,-2.6 2,-0.5 -2,-0.3 41,-0.2 0.879 80.1 168.2 54.3 43.9 -5.6 9.3 25.6 95 95 A I + 0 0 2 39,-0.5 -1,-0.2 10,-0.1 41,-0.1 -0.780 9.4 179.1 -90.6 123.4 -7.3 10.6 28.8 96 96 A S > - 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