==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 06-FEB-08 3C70 . COMPND 2 MOLECULE: HYDROXYNITRILASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HEVEA BRASILIENSIS; . AUTHOR A.SCHMIDT . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.9 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 0.4 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 . 15 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 3 0 0 2 0 2 2 0 1 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 3 1 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 2 A A 0 0 80 0, 0.0 2,-0.3 0, 0.0 252,-0.1 0.000 360.0 360.0 360.0 156.3 26.4 25.4 5.2 2 3 A F - 0 0 153 250,-0.1 2,-0.3 27,-0.1 28,-0.1 -0.832 360.0-177.8-106.8 148.7 23.9 27.6 3.5 3 4 A A - 0 0 22 -2,-0.3 28,-2.3 28,-0.1 2,-0.7 -0.859 32.4-113.5-135.4 167.8 20.7 28.9 5.0 4 5 A H E -a 31 0A 30 68,-0.4 70,-2.5 -2,-0.3 2,-0.4 -0.951 35.9-161.8-106.3 108.0 17.6 30.9 4.2 5 6 A F E -ab 32 74A 0 26,-2.6 28,-2.7 -2,-0.7 2,-0.6 -0.775 8.4-159.3 -91.6 135.9 17.7 34.1 6.2 6 7 A V E -ab 33 75A 0 68,-2.5 70,-2.6 -2,-0.4 2,-0.4 -0.968 13.6-153.4-116.3 110.6 14.6 36.2 6.7 7 8 A L E -ab 34 76A 0 26,-3.0 28,-1.4 -2,-0.6 2,-0.5 -0.764 8.0-164.8 -93.8 129.5 15.6 39.8 7.6 8 9 A I E -ab 35 77A 0 68,-3.0 70,-2.2 -2,-0.4 73,-0.2 -0.955 6.9-150.0-125.6 108.1 13.1 41.7 9.7 9 10 A H - 0 0 0 -2,-0.5 6,-0.1 26,-0.5 2,-0.1 -0.192 20.1-108.0 -69.9 168.1 13.3 45.5 10.0 10 11 A T > - 0 0 4 1,-0.2 3,-1.8 4,-0.2 -1,-0.1 -0.299 50.5 -60.6 -89.7 175.2 12.2 47.6 12.9 11 12 A I T 3 S+ 0 0 6 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.230 122.8 16.9 -54.7 145.2 9.3 50.0 13.4 12 13 A C T 3 S+ 0 0 3 1,-0.3 161,-1.5 162,-0.2 -1,-0.3 0.446 115.2 88.4 71.5 1.2 9.3 53.0 11.0 13 14 A H < - 0 0 1 -3,-1.8 28,-0.5 159,-0.2 -1,-0.3 -0.422 58.6-156.2-112.8-170.6 11.8 51.2 8.8 14 15 A G > - 0 0 0 26,-0.2 3,-2.1 -2,-0.2 4,-0.2 -0.891 46.7 -69.9-156.4-178.7 11.6 48.8 5.8 15 16 A A G > S+ 0 0 19 1,-0.3 3,-2.4 -2,-0.3 21,-0.1 0.759 114.5 81.1 -52.2 -30.7 13.6 46.1 4.0 16 17 A W G > S+ 0 0 41 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.715 75.0 71.7 -50.9 -27.3 15.9 48.9 2.7 17 18 A I G < S+ 0 0 0 -3,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.782 96.2 53.8 -62.3 -24.0 17.8 48.8 6.0 18 19 A W G <> S+ 0 0 1 -3,-2.4 4,-2.7 -4,-0.2 -1,-0.3 0.227 72.2 114.3 -90.0 11.7 19.2 45.5 4.9 19 20 A H T <4 S+ 0 0 80 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.707 82.4 39.0 -65.8 -22.7 20.5 46.7 1.5 20 21 A K T > S+ 0 0 84 -3,-0.4 4,-1.1 217,-0.2 -1,-0.2 0.803 117.7 47.0 -86.7 -39.9 24.1 46.2 2.4 21 22 A L H > S+ 0 0 0 -4,-0.2 4,-2.5 216,-0.2 5,-0.2 0.895 101.9 63.3 -71.6 -39.9 23.8 42.9 4.3 22 23 A K H X S+ 0 0 65 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.937 105.6 43.1 -56.6 -52.3 21.6 41.0 1.9 23 24 A P H > S+ 0 0 65 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.865 112.6 54.9 -64.7 -31.6 24.1 41.0 -1.0 24 25 A L H X S+ 0 0 65 -4,-1.1 4,-0.6 2,-0.2 -2,-0.2 0.913 109.3 46.2 -66.2 -40.9 26.9 40.1 1.4 25 26 A L H ><>S+ 0 0 0 -4,-2.5 5,-1.9 1,-0.2 3,-1.0 0.901 111.4 52.4 -64.6 -40.9 24.9 37.0 2.6 26 27 A E H ><5S+ 0 0 83 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.869 102.4 59.3 -62.9 -34.9 24.1 36.1 -1.0 27 28 A A H 3<5S+ 0 0 84 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.659 102.1 54.4 -70.0 -13.0 27.9 36.3 -1.8 28 29 A L T <<5S- 0 0 75 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.441 128.5-100.3 -89.7 -7.8 28.4 33.6 0.9 29 30 A G T < 5S+ 0 0 36 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.461 76.8 135.8 102.9 4.9 25.8 31.4 -0.9 30 31 A H < - 0 0 10 -5,-1.9 2,-0.4 -28,-0.1 -1,-0.3 -0.390 55.0-122.6 -82.5 160.8 22.7 32.0 1.2 31 32 A K E -a 4 0A 126 -28,-2.3 -26,-2.6 -2,-0.1 2,-0.4 -0.883 33.6-165.9 -93.6 134.0 19.1 32.6 0.3 32 33 A V E -a 5 0A 4 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.985 16.6-173.1-130.0 132.5 17.9 35.9 1.7 33 34 A T E -a 6 0A 25 -28,-2.7 -26,-3.0 -2,-0.4 2,-0.5 -0.990 4.3-172.0-117.1 126.3 14.4 37.3 2.0 34 35 A A E -a 7 0A 29 -2,-0.4 2,-0.2 -28,-0.2 -26,-0.1 -0.964 17.7-161.3-121.0 107.4 14.1 41.0 3.3 35 36 A L E -a 8 0A 26 -28,-1.4 2,-0.6 -2,-0.5 -26,-0.5 -0.574 20.6-136.0 -90.7 149.8 10.4 41.8 3.9 36 37 A D - 0 0 38 -2,-0.2 3,-0.1 -22,-0.2 -22,-0.1 -0.941 29.3-144.3 -92.6 123.7 8.5 45.0 4.3 37 38 A L > - 0 0 0 -2,-0.6 3,-1.7 1,-0.2 6,-0.2 -0.132 45.4 -55.7 -73.9 177.7 6.1 44.6 7.2 38 39 A A T 3 S+ 0 0 0 18,-2.3 -1,-0.2 1,-0.3 3,-0.1 -0.332 125.7 2.0 -60.4 142.4 2.7 46.2 7.2 39 40 A A T 3 S+ 0 0 1 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.721 112.0 113.7 57.8 27.5 2.6 49.9 6.5 40 41 A S S X S- 0 0 4 -3,-1.7 3,-2.7 6,-0.1 -1,-0.2 -0.897 74.2 -17.5-128.1 150.6 6.4 49.8 6.2 41 42 A G T 3 S- 0 0 13 -28,-0.5 -27,-0.1 -2,-0.3 -5,-0.0 -0.319 132.0 -18.8 57.9-131.8 8.8 50.4 3.3 42 43 A V T 3 S+ 0 0 135 2,-0.0 -1,-0.3 0, 0.0 -28,-0.0 0.258 98.0 133.6 -96.4 17.8 6.9 50.1 0.0 43 44 A D < - 0 0 24 -3,-2.7 -6,-0.1 -6,-0.2 -5,-0.0 -0.387 59.5-132.6 -59.0 137.4 3.9 48.3 1.6 44 45 A P S S+ 0 0 115 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.531 75.3 92.4 -75.9 -6.5 0.7 50.0 0.4 45 46 A R - 0 0 52 -5,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.537 68.0-135.6 -84.4 154.0 -0.9 50.2 3.8 46 47 A Q > - 0 0 90 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.797 27.5-113.0-100.2 154.6 -0.7 53.3 6.2 47 48 A I G > S+ 0 0 3 -2,-0.3 3,-2.5 1,-0.3 -1,-0.1 0.799 111.6 69.5 -61.5 -29.0 -0.1 52.7 9.9 48 49 A E G 3 S+ 0 0 65 1,-0.3 -1,-0.3 3,-0.0 94,-0.0 0.661 94.0 59.0 -65.9 -12.9 -3.6 54.0 10.9 49 50 A E G < S+ 0 0 94 -3,-2.1 2,-0.5 88,-0.1 -1,-0.3 0.535 92.1 84.9 -82.1 -10.4 -5.0 50.8 9.2 50 51 A I < - 0 0 0 -3,-2.5 3,-0.1 -4,-0.2 6,-0.0 -0.852 51.2-178.8-107.8 126.5 -3.0 48.6 11.6 51 52 A G + 0 0 8 -2,-0.5 2,-0.3 1,-0.1 86,-0.1 0.454 60.6 9.9-104.9 -5.3 -4.3 47.7 15.0 52 53 A S S > S- 0 0 27 1,-0.1 4,-2.4 129,-0.0 5,-0.2 -0.987 73.3-101.5-163.5 165.0 -1.7 45.5 16.7 53 54 A F H > S+ 0 0 1 -2,-0.3 4,-1.4 125,-0.2 -1,-0.1 0.826 121.8 57.8 -63.1 -32.2 1.8 44.2 16.5 54 55 A D H 4 S+ 0 0 48 2,-0.2 -1,-0.2 1,-0.2 3,-0.2 0.930 108.1 44.4 -64.9 -41.8 0.3 40.9 15.2 55 56 A E H >4 S+ 0 0 69 1,-0.2 3,-1.7 2,-0.2 -2,-0.2 0.875 109.8 56.2 -70.0 -40.5 -1.4 42.8 12.3 56 57 A Y H 3< S+ 0 0 4 -4,-2.4 -18,-2.3 1,-0.3 -1,-0.2 0.842 104.4 55.7 -57.6 -35.5 1.9 44.7 11.7 57 58 A S T >X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 3,-1.2 0.434 73.4 111.2 -77.2 -2.2 3.6 41.3 11.4 58 59 A E H <> S+ 0 0 64 -3,-1.7 4,-3.1 1,-0.3 5,-0.3 0.843 72.4 53.9 -50.1 -46.7 1.2 40.0 8.6 59 60 A P H 3> S+ 0 0 17 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.871 110.4 48.2 -59.6 -34.9 3.8 39.9 5.8 60 61 A L H <> S+ 0 0 0 -3,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.932 113.7 46.2 -66.7 -45.3 6.2 37.8 7.9 61 62 A L H X S+ 0 0 29 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.918 112.7 50.4 -62.7 -42.6 3.4 35.4 8.8 62 63 A T H X S+ 0 0 63 -4,-3.1 4,-1.4 -5,-0.2 -1,-0.2 0.913 110.7 50.0 -62.3 -42.8 2.2 35.2 5.2 63 64 A F H X S+ 0 0 36 -4,-2.0 4,-0.5 -5,-0.3 3,-0.4 0.929 111.4 47.6 -56.8 -53.5 5.8 34.5 4.1 64 65 A L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.916 107.6 56.1 -59.6 -40.8 6.2 31.7 6.6 65 66 A E H 3< S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 103.8 56.9 -56.4 -32.9 2.9 30.2 5.7 66 67 A A H 3< S+ 0 0 75 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.564 79.7 106.0 -79.5 -9.9 4.1 30.0 2.1 67 68 A L S << S- 0 0 11 -3,-1.4 3,-0.1 -4,-0.5 -3,-0.0 -0.563 75.7-121.3 -70.7 130.2 7.2 27.9 2.9 68 69 A P > - 0 0 66 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.265 45.7 -73.2 -63.2 157.3 6.7 24.3 1.8 69 70 A P T 3 S+ 0 0 132 0, 0.0 3,-0.1 0, 0.0 26,-0.0 -0.178 118.9 23.5 -54.0 140.2 6.9 21.6 4.4 70 71 A G T 3 S+ 0 0 78 1,-0.3 2,-0.6 -3,-0.1 -3,-0.0 0.225 88.3 121.8 90.7 -16.5 10.4 20.8 5.7 71 72 A E < - 0 0 92 -3,-2.0 2,-0.3 -4,-0.0 -1,-0.3 -0.745 41.4-170.0 -84.6 126.1 11.9 24.2 4.8 72 73 A K - 0 0 105 -2,-0.6 -68,-0.4 -3,-0.1 2,-0.3 -0.872 2.0-162.3-115.1 143.6 13.3 26.0 7.8 73 74 A V E - c 0 96A 1 22,-2.6 24,-2.5 -2,-0.3 25,-1.0 -0.798 20.3-127.1-120.7 161.8 14.6 29.6 8.0 74 75 A I E -bc 5 98A 3 -70,-2.5 -68,-2.5 -2,-0.3 2,-0.3 -0.958 28.0-146.6-106.6 116.1 16.8 31.7 10.3 75 76 A L E -bc 6 99A 0 23,-2.1 25,-3.1 -2,-0.6 2,-0.4 -0.657 12.3-168.1 -81.7 140.1 14.9 34.8 11.3 76 77 A V E -bc 7 100A 1 -70,-2.6 -68,-3.0 -2,-0.3 2,-0.4 -0.973 8.3-176.3-131.2 113.7 17.0 38.0 11.9 77 78 A G E -bc 8 101A 0 23,-2.7 25,-2.7 -2,-0.4 2,-0.3 -0.954 10.3-154.1-118.2 132.0 15.3 40.9 13.6 78 79 A E E > - c 0 102A 1 -70,-2.2 3,-2.9 -2,-0.4 2,-0.2 -0.797 60.1 -34.2-100.4 144.7 16.7 44.3 14.3 79 80 A S T > S+ 0 0 9 23,-1.8 26,-2.9 -2,-0.3 3,-0.8 -0.273 139.5 6.6 54.1-111.6 15.6 46.7 17.1 80 81 A C T >> S+ 0 0 3 1,-0.2 3,-2.0 -2,-0.2 4,-0.6 0.583 108.9 94.1 -77.6 -5.7 11.8 46.1 17.6 81 82 A G H <> + 0 0 0 -3,-2.9 4,-2.0 1,-0.3 -1,-0.2 0.717 64.5 77.3 -61.0 -19.9 11.9 43.2 15.2 82 83 A G H <> S+ 0 0 0 -3,-0.8 4,-1.9 1,-0.2 -1,-0.3 0.822 90.1 56.6 -59.5 -27.9 12.3 40.8 18.0 83 84 A L H <> S+ 0 0 0 -3,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.882 104.4 51.0 -68.7 -38.9 8.6 41.2 18.7 84 85 A N H X S+ 0 0 0 -4,-0.6 4,-2.6 -3,-0.2 -2,-0.2 0.890 108.5 53.8 -61.4 -38.9 7.8 40.1 15.2 85 86 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.933 108.2 48.3 -57.9 -48.3 10.0 37.1 15.8 86 87 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 107,-0.2 0.929 112.5 48.3 -62.5 -43.6 8.1 36.1 18.9 87 88 A I H < S+ 0 0 1 -4,-2.3 3,-0.4 1,-0.2 4,-0.4 0.939 113.9 47.3 -60.2 -47.2 4.8 36.5 17.1 88 89 A A H >X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-1.4 0.901 108.0 55.3 -62.0 -40.7 6.0 34.4 14.2 89 90 A A H 3X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.3 -1,-0.2 0.769 100.4 59.3 -69.5 -23.6 7.4 31.7 16.4 90 91 A D H 3< S+ 0 0 35 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.555 118.1 31.2 -80.3 -5.4 4.1 31.2 18.1 91 92 A K H <4 S+ 0 0 146 -3,-1.4 -2,-0.2 -4,-0.4 3,-0.2 0.703 134.9 22.4-109.9 -38.4 2.5 30.3 14.7 92 93 A Y H >< + 0 0 41 -4,-2.9 3,-2.2 -5,-0.2 4,-0.3 -0.163 68.0 140.9-128.5 39.2 5.3 28.7 12.8 93 94 A C G >< S+ 0 0 44 -4,-0.6 3,-1.8 1,-0.3 -1,-0.1 0.866 72.7 61.2 -57.0 -34.0 7.9 27.4 15.3 94 95 A E G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.706 102.1 53.1 -69.1 -14.5 8.5 24.2 13.2 95 96 A K G < S+ 0 0 25 -3,-2.2 -22,-2.6 -23,-0.1 2,-0.6 0.356 92.1 88.2 -95.1 1.8 9.7 26.4 10.3 96 97 A I E < +c 73 0A 12 -3,-1.8 101,-0.2 -4,-0.3 -22,-0.2 -0.903 45.7 179.7-112.6 110.9 12.3 28.3 12.4 97 98 A A E S- 0 0 14 -24,-2.5 100,-0.3 -2,-0.6 2,-0.3 0.858 74.4 -28.0 -70.4 -38.2 15.8 26.9 12.7 98 99 A A E -c 74 0A 0 -25,-1.0 -23,-2.1 98,-0.1 2,-0.4 -0.962 55.5-128.0-167.9 162.7 16.9 29.8 14.9 99 100 A A E -cd 75 198A 0 98,-2.6 100,-2.7 -2,-0.3 2,-0.5 -0.994 15.9-157.2-124.7 133.2 16.2 33.5 15.6 100 101 A V E -cd 76 199A 2 -25,-3.1 -23,-2.7 -2,-0.4 2,-0.5 -0.939 5.5-153.8-112.6 126.2 19.0 36.1 15.7 101 102 A F E -cd 77 200A 0 98,-3.0 100,-3.1 -2,-0.5 2,-0.6 -0.870 6.5-164.5-100.2 127.2 18.3 39.3 17.6 102 103 A H E S-cd 78 201A 2 -25,-2.7 -23,-1.8 -2,-0.5 100,-0.2 -0.914 77.1 -37.8-123.2 98.2 20.3 42.3 16.3 103 104 A N S S+ 0 0 0 98,-2.8 -24,-0.3 -2,-0.6 2,-0.3 0.936 113.6 150.2 41.0 51.9 20.4 45.1 18.9 104 105 A S - 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