==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 15-MAR-99 6YAS . COMPND 2 MOLECULE: PROTEIN (HYDROXYNITRILE LYASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HEVEA BRASILIENSIS; . AUTHOR J.ZUEGG,U.G.WAGNER,M.GUGGANIG,C.KRATKY . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 68.0 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 . 11 4.3 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 . 17 6.6 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 2 0 1 2 1 1 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 . 0 1 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 72 0, 0.0 2,-0.3 0, 0.0 252,-0.1 0.000 360.0 360.0 360.0 164.7 26.2 26.5 5.1 2 3 A F - 0 0 152 250,-0.1 2,-0.2 27,-0.1 28,-0.1 -0.836 360.0-179.8-107.3 149.1 23.7 28.7 3.3 3 4 A A - 0 0 24 -2,-0.3 28,-2.5 28,-0.1 2,-0.6 -0.793 33.2-110.2-140.4 175.6 20.5 30.0 4.8 4 5 A H E -a 31 0A 11 68,-0.4 70,-2.5 -2,-0.2 2,-0.4 -0.956 35.1-162.5-116.3 105.5 17.5 32.1 4.1 5 6 A F E -ab 32 74A 0 26,-2.4 28,-2.8 -2,-0.6 2,-0.6 -0.737 6.8-159.3 -89.5 134.5 17.6 35.2 6.1 6 7 A V E -ab 33 75A 0 68,-2.7 70,-2.7 -2,-0.4 2,-0.5 -0.974 13.4-152.7-117.2 113.8 14.5 37.3 6.6 7 8 A L E -ab 34 76A 0 26,-2.4 28,-1.3 -2,-0.6 2,-0.5 -0.788 8.4-165.2 -95.6 126.9 15.4 40.8 7.5 8 9 A I E -ab 35 77A 1 68,-3.0 70,-2.0 -2,-0.5 73,-0.2 -0.945 7.4-150.0-121.4 116.5 12.9 42.8 9.6 9 10 A H - 0 0 0 -2,-0.5 2,-0.1 26,-0.5 6,-0.1 -0.153 19.6-105.5 -76.7 175.2 13.2 46.6 10.0 10 11 A T > - 0 0 4 1,-0.2 3,-1.7 4,-0.2 -1,-0.1 -0.425 51.4 -65.5 -96.5 173.8 12.1 48.8 12.9 11 12 A I T 3 S+ 0 0 8 1,-0.3 -1,-0.2 -2,-0.1 164,-0.1 -0.187 120.8 20.1 -58.9 149.9 9.1 51.2 13.2 12 13 A C T 3 S+ 0 0 4 1,-0.2 161,-1.5 162,-0.2 -1,-0.3 0.406 115.1 86.1 67.8 0.6 9.0 54.2 10.9 13 14 A H < - 0 0 2 -3,-1.7 28,-0.6 159,-0.2 2,-0.3 -0.307 60.2-153.1-114.0-164.9 11.6 52.4 8.6 14 15 A G > - 0 0 0 26,-0.2 3,-1.9 -3,-0.1 -4,-0.2 -0.908 46.2 -71.3-156.6-179.2 11.4 49.9 5.7 15 16 A A G > S+ 0 0 20 1,-0.3 3,-2.2 -2,-0.3 21,-0.1 0.754 114.5 81.5 -52.2 -27.0 13.3 47.2 3.9 16 17 A W G > S+ 0 0 43 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.686 73.7 73.3 -56.4 -23.2 15.6 50.0 2.5 17 18 A I G < S+ 0 0 0 -3,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.695 95.7 53.5 -66.3 -16.7 17.6 50.0 5.9 18 19 A W G <> S+ 0 0 1 -3,-2.2 4,-2.5 -4,-0.2 -1,-0.3 0.212 71.8 113.7 -99.2 14.6 19.1 46.7 4.7 19 20 A H T <4 S+ 0 0 80 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.732 83.2 40.0 -66.0 -20.8 20.3 48.0 1.3 20 21 A K T > S+ 0 0 81 -3,-0.3 4,-0.9 217,-0.1 -1,-0.2 0.850 118.7 44.3 -89.7 -40.6 24.0 47.5 2.3 21 22 A L H > S+ 0 0 0 -4,-0.2 4,-2.0 216,-0.2 3,-0.3 0.900 103.3 62.8 -72.8 -41.7 23.7 44.2 4.1 22 23 A K H X S+ 0 0 63 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.899 103.7 46.8 -53.6 -51.6 21.4 42.3 1.7 23 24 A P H > S+ 0 0 70 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.845 111.2 54.6 -57.7 -36.0 23.9 42.3 -1.3 24 25 A L H X S+ 0 0 68 -4,-0.9 4,-0.6 -3,-0.3 -2,-0.2 0.915 108.5 46.2 -66.7 -42.6 26.7 41.2 1.0 25 26 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 3,-0.6 0.861 111.8 51.7 -69.9 -34.0 24.8 38.1 2.3 26 27 A E H ><5S+ 0 0 83 -4,-1.8 3,-1.4 1,-0.2 -1,-0.2 0.825 102.5 59.8 -69.9 -31.8 23.8 37.1 -1.2 27 28 A A H 3<5S+ 0 0 85 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.688 102.4 54.0 -69.8 -17.3 27.4 37.4 -2.3 28 29 A L T <<5S- 0 0 76 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.382 129.0 -99.2 -94.2 1.0 28.1 34.7 0.3 29 30 A G T < 5S+ 0 0 41 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.457 77.6 136.4 100.6 4.5 25.5 32.5 -1.3 30 31 A H < - 0 0 8 -5,-2.1 2,-0.4 -28,-0.1 -1,-0.3 -0.482 54.5-124.0 -85.3 153.2 22.6 33.1 1.1 31 32 A K E -a 4 0A 131 -28,-2.5 -26,-2.4 -2,-0.2 2,-0.4 -0.799 32.4-166.4 -88.4 136.7 18.9 33.7 0.1 32 33 A V E -a 5 0A 12 -2,-0.4 2,-0.5 -28,-0.2 -26,-0.2 -0.982 16.0-173.4-133.3 124.5 17.7 37.1 1.6 33 34 A T E -a 6 0A 27 -28,-2.8 -26,-2.4 -2,-0.4 2,-0.6 -0.979 5.3-170.8-111.8 120.8 14.1 38.4 1.9 34 35 A A E -a 7 0A 31 -2,-0.5 2,-0.2 -28,-0.2 -26,-0.1 -0.937 16.1-161.8-112.9 111.6 13.9 42.0 3.1 35 36 A L E -a 8 0A 26 -28,-1.3 2,-0.5 -2,-0.6 -26,-0.5 -0.563 20.2-139.7 -93.4 146.4 10.2 42.9 3.8 36 37 A D - 0 0 36 -2,-0.2 3,-0.1 -22,-0.2 -22,-0.1 -0.935 29.1-144.1 -94.1 130.1 8.3 46.1 4.2 37 38 A L > - 0 0 1 -2,-0.5 3,-1.5 1,-0.2 6,-0.2 -0.266 45.2 -53.7 -84.6 178.8 5.9 45.6 7.1 38 39 A A T 3 S+ 0 0 0 18,-2.2 -1,-0.2 1,-0.2 3,-0.1 -0.272 125.6 2.7 -61.1 141.9 2.5 47.3 7.1 39 40 A A T 3 S+ 0 0 2 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.689 110.9 114.9 53.8 29.4 2.4 51.1 6.5 40 41 A S S X S- 0 0 4 -3,-1.5 3,-2.1 16,-0.1 -26,-0.2 -0.932 72.9 -17.4-127.9 148.5 6.2 51.0 6.1 41 42 A G T 3 S- 0 0 15 -28,-0.6 -27,-0.1 -2,-0.3 -5,-0.0 -0.438 131.8 -18.2 60.8-124.6 8.7 51.7 3.2 42 43 A V T 3 S+ 0 0 134 -2,-0.2 -1,-0.3 2,-0.0 -28,-0.1 0.159 98.8 131.5-102.5 19.6 6.7 51.6 -0.0 43 44 A D < - 0 0 26 -3,-2.1 -6,-0.1 -6,-0.2 -5,-0.0 -0.498 58.9-134.4 -69.6 134.4 3.7 49.7 1.5 44 45 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.727 72.8 94.9 -69.4 -25.8 0.5 51.4 0.5 45 46 A R - 0 0 63 -5,-0.1 2,-0.3 1,-0.1 -2,-0.0 -0.263 67.4-135.1 -69.2 152.4 -1.2 51.5 3.9 46 47 A Q > - 0 0 90 1,-0.1 3,-1.7 -8,-0.0 4,-0.2 -0.757 25.4-112.1-100.7 155.6 -1.1 54.4 6.3 47 48 A I G > S+ 0 0 4 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.788 112.6 68.9 -64.2 -21.5 -0.4 53.9 10.0 48 49 A E G 3 S+ 0 0 70 1,-0.3 -1,-0.3 3,-0.0 88,-0.0 0.651 94.2 57.0 -70.1 -12.3 -4.0 55.1 10.9 49 50 A E G < S+ 0 0 98 -3,-1.7 2,-0.5 88,-0.1 -1,-0.3 0.459 94.7 82.3 -92.2 -6.0 -5.3 51.9 9.3 50 51 A I < + 0 0 7 -3,-1.7 3,-0.1 -4,-0.2 6,-0.0 -0.882 49.5 176.2-108.5 130.1 -3.2 49.8 11.7 51 52 A G + 0 0 0 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.429 61.0 20.3-112.2 -1.0 -4.5 49.1 15.1 52 53 A S S > S- 0 0 16 1,-0.1 4,-2.3 90,-0.0 -1,-0.2 -0.993 71.1-110.4-161.9 164.0 -1.9 46.7 16.6 53 54 A F H > S+ 0 0 1 -2,-0.3 4,-1.7 125,-0.2 -1,-0.1 0.819 120.2 56.6 -66.2 -31.0 1.7 45.4 16.5 54 55 A D H 4 S+ 0 0 50 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.914 108.2 45.2 -66.8 -42.3 0.1 42.1 15.3 55 56 A E H >4 S+ 0 0 66 1,-0.2 3,-1.5 2,-0.2 -2,-0.2 0.887 110.6 55.5 -64.0 -38.1 -1.6 43.9 12.4 56 57 A Y H 3< S+ 0 0 6 -4,-2.3 -18,-2.2 1,-0.3 -2,-0.2 0.873 103.6 55.5 -60.8 -35.9 1.7 45.7 11.7 57 58 A S T >X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 3,-1.0 0.427 75.3 111.4 -77.8 0.3 3.4 42.3 11.4 58 59 A E H <> S+ 0 0 63 -3,-1.5 4,-2.7 1,-0.2 5,-0.3 0.811 70.7 53.8 -49.2 -49.1 1.0 41.1 8.7 59 60 A P H 3> S+ 0 0 19 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.862 111.4 48.5 -56.6 -34.8 3.5 41.0 5.7 60 61 A L H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.919 113.2 45.2 -71.3 -44.4 5.9 38.8 7.9 61 62 A L H X S+ 0 0 20 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.922 114.0 49.3 -62.4 -44.8 3.1 36.4 8.9 62 63 A T H X S+ 0 0 79 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.891 111.5 50.6 -61.3 -41.4 1.8 36.1 5.4 63 64 A F H < S+ 0 0 45 -4,-1.9 4,-0.4 -5,-0.3 3,-0.3 0.931 110.9 47.2 -62.8 -46.3 5.3 35.5 4.2 64 65 A L H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.837 107.4 57.5 -69.2 -28.9 5.9 32.7 6.7 65 66 A E H 3< S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.874 103.9 54.7 -64.6 -34.4 2.5 31.2 5.9 66 67 A A T 3< S+ 0 0 76 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.481 79.2 109.2 -79.1 -9.4 3.7 30.9 2.3 67 68 A L S < S- 0 0 14 -3,-1.0 3,-0.1 -4,-0.4 4,-0.0 -0.520 77.6-109.7 -71.4 136.0 6.9 28.9 2.9 68 69 A P > - 0 0 75 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.386 47.4 -82.8 -61.8 141.0 6.7 25.3 1.7 69 70 A P T 3 S+ 0 0 136 0, 0.0 3,-0.1 0, 0.0 26,-0.0 -0.159 117.2 25.0 -47.4 132.5 6.6 22.6 4.5 70 71 A G T 3 S+ 0 0 88 1,-0.3 2,-0.5 -3,-0.1 25,-0.0 0.380 91.4 121.7 90.3 -2.5 10.1 21.7 5.8 71 72 A E < - 0 0 69 -3,-1.7 2,-0.3 -4,-0.0 -1,-0.3 -0.847 42.9-166.6 -97.7 128.2 11.7 25.1 4.7 72 73 A K - 0 0 84 -2,-0.5 -68,-0.4 -3,-0.1 2,-0.3 -0.868 5.4-163.8-117.1 147.1 13.3 27.1 7.6 73 74 A V E - c 0 96A 1 22,-2.5 24,-2.6 -2,-0.3 25,-0.9 -0.830 20.4-128.6-123.5 160.1 14.4 30.7 7.8 74 75 A I E -bc 5 98A 2 -70,-2.5 -68,-2.7 -2,-0.3 2,-0.3 -0.961 27.0-145.8-106.2 119.0 16.6 32.8 10.2 75 76 A L E -bc 6 99A 0 23,-2.1 25,-2.8 -2,-0.6 2,-0.5 -0.704 14.2-171.8 -83.9 136.6 14.8 36.0 11.3 76 77 A V E +bc 7 100A 0 -70,-2.7 -68,-3.0 -2,-0.3 2,-0.4 -0.950 9.3 178.5-131.8 107.8 17.0 39.0 11.8 77 78 A G E -bc 8 101A 0 23,-2.4 25,-2.7 -2,-0.5 2,-0.4 -0.917 14.5-150.3-114.6 140.1 15.2 42.0 13.4 78 79 A E E > - c 0 102A 1 -70,-2.0 3,-2.3 -2,-0.4 25,-0.2 -0.874 60.0 -32.1-107.4 145.7 16.7 45.4 14.3 79 80 A S T > S+ 0 0 10 23,-1.6 26,-2.2 -2,-0.4 3,-1.1 -0.283 140.0 6.9 51.8-114.6 15.5 47.7 17.2 80 81 A C T >> S+ 0 0 7 1,-0.2 3,-2.0 24,-0.2 4,-0.6 0.597 110.0 92.7 -71.8 -6.1 11.7 47.1 17.7 81 82 A G H <> + 0 0 0 -3,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.695 68.2 74.4 -57.2 -24.0 11.8 44.3 15.1 82 83 A G H <> S+ 0 0 0 -3,-1.1 4,-1.6 1,-0.2 -1,-0.3 0.790 91.2 55.6 -62.4 -29.2 12.3 41.9 18.0 83 84 A L H <> S+ 0 0 0 -3,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.874 105.4 51.2 -70.5 -34.0 8.6 42.3 18.8 84 85 A N H X S+ 0 0 0 -4,-0.6 4,-2.1 1,-0.2 -2,-0.2 0.849 108.5 53.1 -69.7 -30.9 7.7 41.2 15.2 85 86 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.907 107.5 50.5 -66.4 -42.1 9.9 38.2 15.8 86 87 A A H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 107,-0.2 0.909 111.8 47.3 -62.7 -43.1 8.1 37.2 19.0 87 88 A I H < S+ 0 0 6 -4,-1.8 4,-0.5 1,-0.2 3,-0.3 0.910 115.8 44.7 -63.3 -47.1 4.6 37.5 17.3 88 89 A A H >X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-1.0 0.880 109.2 55.2 -68.7 -35.3 5.8 35.4 14.3 89 90 A A H 3X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.3 -1,-0.2 0.753 101.7 59.2 -72.0 -24.7 7.6 32.7 16.4 90 91 A D H 3< S+ 0 0 41 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.674 118.1 30.4 -72.3 -18.4 4.4 32.1 18.4 91 92 A K H <4 S+ 0 0 125 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.1 0.731 134.5 24.4-109.9 -31.7 2.6 31.2 15.2 92 93 A Y H >< + 0 0 19 -4,-2.7 3,-1.9 -5,-0.1 4,-0.4 -0.125 66.1 138.6-132.6 38.5 5.3 29.7 13.0 93 94 A C G >< S+ 0 0 38 -4,-0.7 3,-1.1 1,-0.3 -1,-0.1 0.782 72.4 63.6 -58.1 -25.1 8.1 28.4 15.3 94 95 A E G 3 S+ 0 0 111 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.766 102.2 51.7 -67.7 -25.9 8.5 25.2 13.1 95 96 A K G < S+ 0 0 26 -3,-1.9 -22,-2.5 -23,-0.1 2,-0.6 0.527 93.9 85.6 -87.5 -6.9 9.5 27.6 10.3 96 97 A I E < -c 73 0A 8 -3,-1.1 101,-0.2 -4,-0.4 -22,-0.2 -0.858 45.7-177.9-107.4 115.4 12.3 29.4 12.3 97 98 A A E S- 0 0 16 -24,-2.6 159,-0.3 -2,-0.6 2,-0.3 0.838 76.4 -34.2 -70.1 -34.6 15.8 27.9 12.5 98 99 A A E -c 74 0A 0 -25,-0.9 -23,-2.1 157,-0.1 2,-0.4 -0.943 55.3-126.0-177.2 161.0 16.8 30.8 14.8 99 100 A A E -cd 75 198A 0 98,-2.3 100,-2.4 -2,-0.3 2,-0.5 -0.972 15.7-152.4-123.3 141.7 16.2 34.6 15.4 100 101 A V E -cd 76 199A 2 -25,-2.8 -23,-2.4 -2,-0.4 2,-0.6 -0.965 5.3-152.4-118.7 121.8 18.9 37.3 15.6 101 102 A F E -cd 77 200A 0 98,-3.1 100,-3.0 -2,-0.5 2,-0.7 -0.899 10.6-167.5 -94.8 114.7 18.3 40.4 17.7 102 103 A H E S-cd 78 201A 2 -25,-2.7 -23,-1.6 -2,-0.6 100,-0.2 -0.899 76.3 -34.8-110.7 104.8 20.3 43.3 16.2 103 104 A N S S+ 0 0 0 98,-2.4 2,-0.2 -2,-0.7 -1,-0.2 0.880 114.1 148.1 39.0 50.7 20.3 46.2 18.7 104 105 A S - 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