==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-OCT-96 1IDK . COMPND 2 MOLECULE: PECTIN LYASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER; . AUTHOR O.MAYANS,M.SCOTT,I.CONNERTON,T.GRAVESEN,J.BENEN,J.VISSER, . 359 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 269 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 119 33.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 4.2 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 . 0 0.0 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 . 50 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 11 3 5 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 PARALLEL BRIDGES PER LADDER . 2 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 0 1 0 0 0 0 0 0 1 0 0 0 1 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 V 0 0 105 0, 0.0 2,-0.2 0, 0.0 112,-0.1 0.000 360.0 360.0 360.0 164.5 -3.2 50.5 30.0 2 2 A G - 0 0 35 20,-0.0 2,-0.2 42,-0.0 17,-0.1 -0.823 360.0 -36.1-153.2-167.9 -0.4 48.6 28.4 3 3 A V - 0 0 52 -2,-0.2 2,-0.5 15,-0.2 110,-0.0 -0.431 53.4-145.6 -66.3 131.2 0.5 45.7 26.0 4 4 A S - 0 0 56 -2,-0.2 -1,-0.1 -3,-0.0 2,-0.0 -0.861 58.0 -19.4-102.5 127.8 -1.8 42.7 26.2 5 5 A G S S- 0 0 64 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.270 81.2 -91.6 73.9-166.2 -0.4 39.2 25.7 6 6 A S - 0 0 99 -2,-0.0 6,-0.1 6,-0.0 2,-0.1 -0.942 39.6 -82.5-145.0 161.9 2.9 38.5 24.0 7 7 A A - 0 0 6 7,-0.3 2,-0.3 -2,-0.3 6,-0.3 -0.368 35.8-156.3 -69.0 142.0 4.1 37.7 20.5 8 8 A E > + 0 0 80 4,-0.1 3,-0.5 -2,-0.1 330,-0.2 -0.855 56.4 14.7-111.3 156.2 3.9 34.2 19.1 9 9 A G G > S- 0 0 2 -2,-0.3 3,-2.0 1,-0.2 328,-0.1 -0.469 120.4 -6.5 87.2-154.2 6.2 32.9 16.3 10 10 A F G 3 S+ 0 0 2 179,-0.3 -1,-0.2 1,-0.3 326,-0.2 0.774 131.9 50.6 -54.8 -35.1 9.3 34.4 14.9 11 11 A A G X S+ 0 0 0 -3,-0.5 3,-1.7 153,-0.1 -1,-0.3 0.175 75.4 145.1 -92.8 21.9 9.2 37.7 16.9 12 12 A K T < + 0 0 123 -3,-2.0 -4,-0.1 1,-0.3 324,-0.1 -0.305 63.4 36.7 -58.6 135.6 8.7 36.0 20.3 13 13 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 -6,-0.3 2,-0.1 0.379 77.5 146.8 101.3 -4.4 10.4 38.0 23.0 14 14 A V < + 0 0 15 -3,-1.7 -1,-0.3 1,-0.1 -7,-0.3 -0.400 20.7 178.3 -63.9 139.8 9.7 41.4 21.5 15 15 A T > - 0 0 80 148,-0.2 3,-2.0 1,-0.2 -1,-0.1 0.587 8.9-169.2-120.0 -17.8 9.2 44.0 24.3 16 16 A G T 3 S- 0 0 3 1,-0.3 95,-0.3 147,-0.2 -1,-0.2 -0.354 75.8 -10.9 61.7-137.5 8.6 47.3 22.6 17 17 A G T > S- 0 0 4 24,-0.4 3,-1.7 1,-0.2 -1,-0.3 0.424 91.9-163.4 -73.5 0.2 8.8 50.2 25.0 18 18 A G T < - 0 0 44 -3,-2.0 -1,-0.2 1,-0.2 -15,-0.2 -0.190 61.0 -13.1 56.6-134.3 8.8 47.8 27.9 19 19 A S T 3 S+ 0 0 131 -17,-0.1 -1,-0.2 2,-0.0 23,-0.1 0.255 93.0 139.4 -85.8 11.0 7.9 49.2 31.4 20 20 A A < - 0 0 30 -3,-1.7 21,-0.1 1,-0.1 3,-0.1 -0.229 66.3 -97.1 -55.1 145.7 8.3 52.8 30.3 21 21 A T - 0 0 118 1,-0.1 21,-0.5 20,-0.0 -1,-0.1 -0.499 47.6-108.0 -67.5 127.8 5.7 55.2 31.7 22 22 A P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 21,-0.2 -0.269 29.6-155.4 -59.3 138.1 2.9 55.6 29.1 23 23 A V B -a 43 0A 25 19,-2.4 21,-2.6 -3,-0.1 -3,-0.0 -0.917 4.1-150.5-115.1 142.4 2.6 59.0 27.3 24 24 A Y - 0 0 116 -2,-0.4 21,-0.1 19,-0.2 19,-0.1 -0.789 16.3-145.1-116.1 85.9 -0.7 60.1 25.9 25 25 A P - 0 0 3 0, 0.0 21,-0.3 0, 0.0 3,-0.1 -0.096 13.1-169.2 -49.3 147.3 -0.0 62.4 22.9 26 26 A D + 0 0 109 1,-0.2 2,-0.3 19,-0.1 19,-0.0 0.756 67.0 32.7-107.8 -39.9 -2.5 65.2 22.4 27 27 A T S >> S- 0 0 66 1,-0.1 4,-1.9 22,-0.1 3,-0.6 -0.764 84.1-109.5-117.6 164.7 -1.7 66.5 18.9 28 28 A I H 3> S+ 0 0 43 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.844 118.2 58.8 -62.7 -30.1 -0.4 64.9 15.8 29 29 A D H 3> S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.833 105.1 49.3 -67.1 -35.3 3.0 66.6 16.2 30 30 A E H <> S+ 0 0 75 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.907 109.1 51.6 -70.5 -42.3 3.4 65.0 19.6 31 31 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.947 111.0 48.8 -58.8 -47.1 2.6 61.5 18.2 32 32 A V H X S+ 0 0 63 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.891 112.2 48.0 -61.3 -40.2 5.2 62.0 15.5 33 33 A S H X S+ 0 0 66 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.892 110.5 51.4 -69.8 -37.8 7.8 63.1 18.0 34 34 A Y H < S+ 0 0 56 -4,-2.6 3,-0.3 1,-0.2 5,-0.2 0.873 109.7 48.3 -65.6 -40.7 7.2 60.2 20.4 35 35 A L H < S+ 0 0 1 -4,-2.0 72,-2.7 1,-0.2 -1,-0.2 0.741 118.8 40.2 -71.7 -25.9 7.5 57.5 17.7 36 36 A G H < S+ 0 0 33 -4,-1.1 -1,-0.2 70,-0.2 -2,-0.2 0.453 89.4 103.9-105.3 -1.7 10.7 58.9 16.3 37 37 A D S < S- 0 0 37 -4,-1.0 2,-1.1 -3,-0.3 70,-0.1 -0.352 79.0-110.5 -78.8 165.4 12.7 60.0 19.4 38 38 A D S S+ 0 0 164 -2,-0.1 2,-0.3 69,-0.1 -1,-0.1 -0.350 83.5 90.5 -92.0 57.1 15.6 58.0 20.8 39 39 A E S S- 0 0 108 -2,-1.1 2,-0.1 -5,-0.2 -2,-0.1 -0.991 82.9 -99.5-152.9 140.9 14.0 56.7 24.0 40 40 A A + 0 0 44 -2,-0.3 2,-0.3 70,-0.1 70,-0.2 -0.381 53.6 174.6 -59.8 125.6 11.9 53.7 25.1 41 41 A R E - b 0 110A 42 68,-1.7 70,-1.9 -2,-0.1 2,-0.6 -0.986 38.1-153.1-142.2 148.6 8.2 54.6 25.1 42 42 A V E - b 0 111A 7 -21,-0.5 -19,-2.4 -2,-0.3 2,-0.5 -0.994 29.9-166.0-116.6 113.0 4.7 53.2 25.6 43 43 A I E -ab 23 112A 0 68,-3.1 70,-2.7 -2,-0.6 2,-0.5 -0.942 3.9-158.3-109.9 123.9 2.5 55.5 23.5 44 44 A V E - b 0 113A 2 -21,-2.6 2,-0.6 -2,-0.5 70,-0.2 -0.877 4.2-159.4-108.7 130.3 -1.3 55.4 24.0 45 45 A L E + b 0 114A 0 68,-2.3 70,-1.7 -2,-0.5 74,-0.2 -0.922 17.1 168.0-105.5 120.6 -3.8 56.7 21.4 46 46 A T + 0 0 54 -2,-0.6 2,-0.3 -21,-0.3 73,-0.1 0.355 66.1 26.6-112.4 3.7 -7.2 57.5 22.9 47 47 A K S S- 0 0 80 73,-0.2 73,-1.2 0, 0.0 2,-0.6 -0.927 97.5 -73.5-153.2 173.3 -8.7 59.3 19.8 48 48 A T E -k 120 0B 77 -2,-0.3 2,-1.2 71,-0.2 73,-0.2 -0.661 37.5-150.9 -81.0 115.0 -8.4 59.4 16.0 49 49 A F E -k 121 0B 3 71,-2.6 73,-1.8 -2,-0.6 2,-0.5 -0.719 17.3-159.6 -88.7 93.3 -5.2 61.2 15.0 50 50 A D E +k 122 0B 75 -2,-1.2 73,-0.2 71,-0.2 -22,-0.1 -0.625 27.0 163.8 -80.3 121.4 -6.1 62.7 11.7 51 51 A F > + 0 0 3 71,-3.1 3,-0.5 -2,-0.5 4,-0.5 0.295 40.0 115.6-115.2 2.2 -3.3 63.7 9.3 52 52 A T T 3 S+ 0 0 23 70,-0.3 47,-0.6 1,-0.2 3,-0.4 0.877 89.8 22.2 -37.7 -60.0 -5.3 64.0 6.1 53 53 A D T > S+ 0 0 107 1,-0.2 3,-2.0 2,-0.1 -1,-0.2 0.501 92.3 104.5 -92.3 -6.2 -4.7 67.8 5.6 54 54 A S T < S+ 0 0 57 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.748 93.2 28.7 -48.0 -32.7 -1.5 68.2 7.6 55 55 A E T 3 S- 0 0 98 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.131 109.3-121.3-119.5 21.1 0.7 68.4 4.5 56 56 A G < - 0 0 31 -3,-2.0 42,-1.6 41,-0.1 43,-0.4 -0.347 31.7 -68.5 82.4-158.1 -1.7 69.9 1.9 57 57 A T E -Y 97 0C 70 40,-0.3 2,-0.4 41,-0.1 40,-0.2 -0.999 31.0-148.8-145.5 138.8 -2.9 68.6 -1.5 58 58 A T E -Y 96 0C 48 38,-2.6 38,-2.0 -2,-0.3 2,-0.6 -0.909 1.8-157.0-112.9 136.8 -1.3 68.1 -4.9 59 59 A T E +Y 95 0C 101 -2,-0.4 36,-0.2 36,-0.2 2,-0.2 -0.964 39.0 133.2-109.8 117.6 -3.0 68.4 -8.3 60 60 A G E -Y 94 0C 29 34,-2.2 34,-1.5 -2,-0.6 2,-0.4 -0.592 51.0 -84.7-140.6-152.1 -1.1 66.4 -10.9 61 61 A T E +Y 93 0C 94 32,-0.2 16,-0.6 -2,-0.2 2,-0.2 -0.993 42.1 154.4-137.8 130.1 -1.5 63.9 -13.7 62 62 A G E -YZ 92 76C 2 30,-2.3 30,-2.4 -2,-0.4 2,-0.2 -0.737 33.4-105.6-135.4-171.4 -1.8 60.2 -13.7 63 63 A a E -YZ 91 75C 0 12,-0.8 12,-2.7 28,-0.3 28,-0.2 -0.760 11.2-133.6-121.8 165.8 -3.3 57.4 -15.8 64 64 A A > + 0 0 4 26,-2.4 3,-0.7 -2,-0.2 10,-0.1 -0.679 34.0 158.3-121.4 76.5 -6.3 55.0 -15.6 65 65 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.640 74.9 52.3 -71.6 -15.0 -5.1 51.4 -16.4 66 66 A W T 3 S- 0 0 56 7,-0.6 7,-0.3 1,-0.4 3,-0.2 -0.316 123.8 -73.3-119.1 48.7 -8.1 49.8 -14.6 67 67 A G < - 0 0 38 -3,-0.7 -1,-0.4 1,-0.1 139,-0.1 0.202 35.4-108.6 80.8 157.3 -11.0 51.6 -16.3 68 68 A T S S+ 0 0 100 -3,-0.1 -1,-0.1 6,-0.0 2,-0.1 0.065 71.1 125.1-109.3 21.7 -12.4 55.1 -15.9 69 69 A A S > S- 0 0 56 -3,-0.2 3,-1.9 1,-0.1 137,-0.1 -0.459 74.8-109.4 -77.2 158.1 -15.6 54.3 -14.0 70 70 A S T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.1 136,-0.1 0.943 118.3 53.1 -51.9 -51.8 -16.2 56.1 -10.7 71 71 A A T 3 S+ 0 0 40 135,-0.1 132,-1.3 131,-0.1 2,-0.3 0.211 94.8 96.0 -71.7 17.4 -15.7 52.9 -8.7 72 72 A b B < S-b 203 0D 3 -3,-1.9 2,-0.3 130,-0.2 132,-0.2 -0.770 72.0-122.5-109.6 156.2 -12.3 52.3 -10.4 73 73 A Q - 0 0 0 130,-1.4 -7,-0.6 -2,-0.3 2,-0.3 -0.734 21.3-161.8 -97.5 146.3 -8.8 53.2 -9.1 74 74 A V E - a 0 149C 9 74,-1.9 76,-2.2 -2,-0.3 2,-0.3 -0.827 19.3-114.9-121.5 159.0 -6.4 55.4 -11.1 75 75 A A E -Za 63 150C 0 -12,-2.7 -12,-0.8 -2,-0.3 2,-0.4 -0.742 11.9-131.8-103.3 146.1 -2.7 55.7 -10.6 76 76 A I E -Z 62 0C 6 74,-1.9 2,-2.2 -2,-0.3 -14,-0.2 -0.774 32.2-118.9 -89.5 133.2 -0.6 58.7 -9.5 77 77 A D > + 0 0 45 -16,-0.6 3,-0.9 -2,-0.4 2,-0.3 -0.384 46.7 166.3 -75.8 67.1 2.3 59.1 -11.9 78 78 A Q G > S- 0 0 57 -2,-2.2 3,-1.4 1,-0.3 4,-0.0 -0.665 72.5 -0.7 -83.9 135.4 5.2 58.6 -9.5 79 79 A D G 3 S- 0 0 155 -2,-0.3 -1,-0.3 1,-0.3 5,-0.1 0.817 127.3 -67.5 56.2 35.0 8.6 58.1 -11.3 80 80 A D G <> S+ 0 0 76 -3,-0.9 4,-2.2 4,-0.1 -1,-0.3 0.841 86.2 164.0 53.2 37.0 6.9 58.3 -14.6 81 81 A W H <>> + 0 0 44 -3,-1.4 4,-1.0 2,-0.2 5,-0.7 0.923 64.0 48.7 -47.4 -61.3 5.2 55.0 -13.6 82 82 A a H >5S+ 0 0 3 1,-0.2 4,-1.8 3,-0.2 -1,-0.1 0.941 115.9 38.2 -45.6 -78.3 2.4 55.2 -16.2 83 83 A E H 45S+ 0 0 134 4,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.751 127.7 39.2 -48.1 -30.5 4.4 56.0 -19.4 84 84 A N H <5S+ 0 0 99 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.2 0.933 123.0 26.9 -84.6 -83.5 7.2 53.7 -18.2 85 85 A Y H <5S+ 0 0 189 -4,-1.0 -3,-0.2 1,-0.3 -2,-0.1 0.496 141.6 13.8 -62.2 -5.7 6.0 50.5 -16.5 86 86 A E S < S+ 0 0 0 -47,-0.6 3,-1.2 -43,-0.4 26,-0.3 0.895 91.2 57.6 -71.2 -41.5 0.4 63.3 4.0 100 100 A G T 3 S+ 0 0 1 -3,-0.3 54,-0.6 -48,-0.3 25,-0.2 0.728 87.4 83.0 -61.9 -21.3 -0.6 59.8 2.9 101 101 A T T 3 S+ 0 0 57 -4,-0.4 2,-0.4 -3,-0.2 -1,-0.2 0.783 102.3 17.9 -52.1 -39.2 2.4 59.7 0.6 102 102 A L S < S- 0 0 101 -3,-1.2 -1,-0.1 -4,-0.3 25,-0.1 -0.999 81.3-122.4-141.7 140.1 4.9 58.7 3.3 103 103 A G - 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