==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-NOV-06 2O17 . COMPND 2 MOLECULE: PECTATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.W.PICKERSGILL,A.SEYEDARABI . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.3 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 . 44 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 10.3 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 3 0 0 0 2 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 9 5 5 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 . 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 1 0 2 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 A 0 0 104 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 148.6 17.3 11.2 33.0 2 2 A D > - 0 0 77 1,-0.1 4,-1.5 4,-0.0 3,-0.4 -0.192 360.0 -92.9 -74.4 178.7 16.5 13.0 29.7 3 3 A L T 4 S+ 0 0 19 396,-0.3 -1,-0.1 1,-0.2 131,-0.0 0.846 125.4 60.0 -66.5 -32.1 15.7 10.9 26.6 4 4 A G T 4 S+ 0 0 0 1,-0.2 -1,-0.2 51,-0.1 20,-0.2 0.864 114.5 33.5 -58.4 -38.7 19.3 11.1 25.6 5 5 A H T 4 S+ 0 0 76 -3,-0.4 -2,-0.2 50,-0.1 -1,-0.2 0.565 94.7 107.1-101.5 -11.9 20.5 9.4 28.7 6 6 A Q < - 0 0 67 -4,-1.5 2,-0.3 1,-0.0 19,-0.1 -0.249 52.1-153.2 -65.5 155.3 17.6 7.0 29.4 7 7 A T - 0 0 62 16,-0.1 15,-0.2 17,-0.1 2,-0.2 -0.837 31.2 -85.9-122.3 162.6 17.9 3.2 28.8 8 8 A L - 0 0 11 13,-2.3 13,-0.2 -2,-0.3 5,-0.0 -0.492 55.5-103.3 -65.7 134.4 15.3 0.5 28.0 9 9 A G > - 0 0 31 -2,-0.2 3,-1.6 1,-0.1 12,-0.1 -0.268 27.2-114.4 -61.3 149.4 13.6 -0.8 31.2 10 10 A S T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.557 117.8 37.1 -66.7 -7.7 14.8 -4.2 32.3 11 11 A N T 3 S+ 0 0 81 364,-0.1 2,-1.9 6,-0.0 -1,-0.3 0.313 85.2 116.4-116.6 0.7 11.3 -5.7 31.7 12 12 A D S < S- 0 0 27 -3,-1.6 3,-0.4 364,-0.2 364,-0.1 -0.439 82.4 -72.3 -84.3 74.4 10.6 -3.7 28.5 13 13 A G S > S- 0 0 0 -2,-1.9 3,-2.0 1,-0.2 223,-0.2 -0.018 79.5 -40.2 77.0-178.6 10.3 -6.3 25.8 14 14 A W G > S+ 0 0 33 221,-0.4 3,-1.5 1,-0.3 222,-0.2 0.699 126.0 71.1 -54.7 -25.9 12.8 -8.5 23.9 15 15 A G G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.715 90.4 60.8 -64.9 -21.3 15.3 -5.6 23.8 16 16 A A G < S+ 0 0 14 -3,-2.0 -1,-0.3 4,-0.2 -2,-0.2 0.360 80.8 125.3 -85.6 3.3 15.8 -5.9 27.5 17 17 A Y S X S- 0 0 102 -3,-1.5 3,-2.2 -4,-0.1 2,-0.2 -0.419 79.0 -32.0 -71.0 139.9 17.1 -9.5 27.0 18 18 A S T 3 S+ 0 0 85 1,-0.3 -3,-0.0 -2,-0.1 216,-0.0 -0.328 142.0 9.5 52.9-111.0 20.6 -10.5 28.4 19 19 A T T 3 S- 0 0 113 -2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.667 103.7-155.8 -73.4 -12.9 22.9 -7.5 28.2 20 20 A G < - 0 0 11 -3,-2.2 2,-0.5 -6,-0.1 -4,-0.2 -0.142 23.8 -60.7 73.0-165.9 19.9 -5.2 27.4 21 21 A T + 0 0 4 -13,-0.2 -13,-2.3 1,-0.1 -1,-0.1 -0.867 58.6 144.1-129.6 96.9 19.7 -1.9 25.6 22 22 A T > - 0 0 40 -2,-0.5 3,-1.8 1,-0.2 -1,-0.1 0.548 32.3-170.1-103.4 -13.5 21.5 1.0 27.1 23 23 A G T 3 - 0 0 3 1,-0.2 3,-0.3 170,-0.2 -1,-0.2 -0.340 65.9 -29.5 57.0-129.7 22.6 2.7 23.9 24 24 A G T > S+ 0 0 0 30,-0.3 3,-2.2 -20,-0.2 -1,-0.2 0.036 94.5 126.6-105.8 26.5 25.1 5.5 24.5 25 25 A S T < S+ 0 0 21 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.796 73.6 54.0 -50.2 -34.1 23.7 6.4 28.0 26 26 A K T 3 S+ 0 0 164 -3,-0.3 -1,-0.3 28,-0.1 -2,-0.1 0.277 81.5 143.1 -88.4 10.6 27.3 6.0 29.5 27 27 A A < - 0 0 18 -3,-2.2 27,-0.2 4,-0.1 2,-0.1 -0.175 47.8-128.0 -55.9 138.3 28.9 8.4 27.0 28 28 A S > - 0 0 64 25,-0.4 3,-2.3 1,-0.1 -1,-0.1 -0.415 37.3 -91.6 -79.8 166.3 31.7 10.7 28.1 29 29 A S G > S+ 0 0 116 1,-0.3 3,-0.8 2,-0.2 -2,-0.1 0.714 123.8 52.2 -59.9 -30.3 31.4 14.5 27.4 30 30 A S G 3 S+ 0 0 90 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.491 103.5 62.5 -85.8 -0.4 33.2 14.6 24.1 31 31 A N G < S+ 0 0 22 -3,-2.3 24,-2.0 -7,-0.1 2,-0.5 0.020 81.1 93.7-109.9 23.4 30.8 11.8 22.8 32 32 A V E < -a 55 0A 53 -3,-0.8 2,-0.3 22,-0.2 24,-0.2 -0.979 57.9-177.2-113.5 121.2 27.6 13.8 23.2 33 33 A Y E -a 56 0A 70 22,-3.2 24,-2.9 -2,-0.5 2,-0.4 -0.867 25.1-156.3-122.0 153.4 26.6 15.6 19.9 34 34 A T E -a 57 0A 89 -2,-0.3 2,-0.4 22,-0.2 24,-0.2 -1.000 23.9-175.4-122.8 127.4 23.9 18.0 18.7 35 35 A V E +a 58 0A 3 22,-3.1 24,-2.5 -2,-0.4 3,-0.1 -0.976 24.5 170.9-131.5 136.1 23.3 17.9 15.0 36 36 A S + 0 0 56 -2,-0.4 2,-0.3 22,-0.2 25,-0.1 0.281 68.0 34.6-129.9 10.9 21.1 19.9 12.6 37 37 A N S > S- 0 0 33 25,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.952 86.4 -96.4-150.4 175.8 22.1 18.8 9.2 38 38 A R H > S+ 0 0 20 25,-0.4 4,-2.8 -2,-0.3 5,-0.3 0.922 119.9 53.1 -57.4 -49.8 23.4 15.8 7.1 39 39 A N H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 112.2 44.1 -52.7 -47.4 27.1 16.8 7.5 40 40 A Q H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 113.3 50.6 -68.4 -43.2 26.8 17.1 11.3 41 41 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.935 113.2 45.4 -55.9 -50.9 24.9 13.8 11.7 42 42 A V H X S+ 0 0 52 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.873 112.4 50.5 -64.5 -41.2 27.4 11.9 9.5 43 43 A S H < S+ 0 0 98 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.917 112.6 49.2 -58.9 -43.4 30.4 13.4 11.3 44 44 A A H < S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.958 112.8 43.8 -61.9 -56.6 28.8 12.4 14.7 45 45 A L H < S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.877 87.1 170.4 -55.7 -43.0 28.0 8.8 13.7 46 46 A G < - 0 0 40 -4,-2.2 -1,-0.1 -5,-0.2 78,-0.1 -0.284 42.1 -33.0 60.9-145.5 31.5 8.3 12.1 47 47 A K > - 0 0 169 -4,-0.1 3,-2.0 78,-0.1 0, 0.0 -0.371 64.5 -90.5-104.9-178.0 32.4 4.8 11.2 48 48 A E T 3 S+ 0 0 121 1,-0.3 79,-0.4 -2,-0.1 -1,-0.0 0.730 123.0 64.0 -65.8 -23.5 31.8 1.3 12.5 49 49 A T T 3 S+ 0 0 126 1,-0.2 2,-1.6 77,-0.1 -1,-0.3 0.449 75.6 96.1 -76.3 -5.7 34.9 1.6 14.7 50 50 A N < + 0 0 31 -3,-2.0 -1,-0.2 1,-0.2 4,-0.0 -0.566 46.0 142.2 -85.6 71.7 33.2 4.4 16.6 51 51 A T + 0 0 72 -2,-1.6 -1,-0.2 75,-0.1 3,-0.1 0.530 22.9 111.7-100.2 -8.0 32.0 2.1 19.4 52 52 A T S S- 0 0 73 -3,-0.2 -25,-0.1 1,-0.1 -28,-0.0 -0.373 87.9 -83.5 -57.0 146.3 32.3 4.3 22.6 53 53 A P + 0 0 38 0, 0.0 -25,-0.4 0, 0.0 2,-0.3 -0.240 61.6 177.8 -47.2 134.1 29.0 5.2 24.1 54 54 A K E - b 0 129A 0 74,-1.7 76,-1.9 -27,-0.2 2,-0.4 -0.985 23.3-152.9-144.3 152.3 27.6 8.3 22.3 55 55 A I E -ab 32 130A 0 -24,-2.0 -22,-3.2 -2,-0.3 2,-0.5 -0.995 10.8-166.0-127.2 134.4 24.4 10.4 22.4 56 56 A I E -ab 33 131A 0 74,-2.7 76,-2.4 -2,-0.4 2,-0.5 -0.968 4.2-158.6-129.6 116.7 23.2 12.3 19.4 57 57 A Y E -ab 34 132A 31 -24,-2.9 -22,-3.1 -2,-0.5 2,-0.6 -0.817 10.0-146.4 -96.2 123.9 20.6 15.1 19.6 58 58 A I E -ab 35 133A 0 74,-2.9 76,-3.0 -2,-0.5 2,-0.6 -0.823 11.7-165.2 -93.3 121.6 18.7 16.0 16.5 59 59 A K - 0 0 136 -24,-2.5 76,-0.1 -2,-0.6 79,-0.1 -0.933 53.7 -38.2-107.8 113.8 17.7 19.6 16.3 60 60 A G S S- 0 0 21 -2,-0.6 79,-2.1 74,-0.5 2,-0.5 -0.333 105.0 -13.0 74.3-152.5 15.1 20.5 13.6 61 61 A T E -j 139 0B 76 77,-0.2 2,-0.7 -25,-0.1 79,-0.2 -0.768 51.3-163.8 -95.4 122.3 14.8 18.9 10.2 62 62 A I E -j 140 0B 0 77,-3.0 79,-2.9 -2,-0.5 2,-0.5 -0.885 4.8-163.5-108.2 104.0 17.5 16.8 8.6 63 63 A D E -j 141 0B 61 -2,-0.7 -25,-0.4 77,-0.2 79,-0.2 -0.747 4.3-169.3 -80.6 120.8 17.2 16.3 4.8 64 64 A M S S+ 0 0 0 77,-3.0 2,-1.2 -2,-0.5 78,-0.2 0.567 71.5 82.5 -90.3 -10.5 19.4 13.4 3.7 65 65 A N S S+ 0 0 6 76,-0.5 8,-3.3 56,-0.1 2,-0.3 -0.442 75.6 102.7 -91.4 60.6 18.9 14.2 -0.1 66 66 A V B -S 72 0C 9 -2,-1.2 2,-0.1 6,-0.3 0, 0.0 -0.909 66.2-117.7-135.1 162.2 21.6 16.9 -0.1 67 67 A D > - 0 0 46 4,-1.8 3,-1.8 -2,-0.3 -28,-0.2 -0.154 49.2 -81.4 -87.5-170.4 25.3 17.3 -1.2 68 68 A D T 3 S+ 0 0 104 1,-0.3 -29,-0.0 2,-0.1 -1,-0.0 0.665 134.9 49.0 -70.5 -18.1 28.4 18.1 1.0 69 69 A N T 3 S- 0 0 132 2,-0.1 -1,-0.3 -30,-0.0 0, 0.0 0.177 121.2-110.2 -98.1 10.0 27.4 21.8 0.8 70 70 A L < + 0 0 71 -3,-1.8 -2,-0.1 1,-0.2 -7,-0.1 0.627 66.1 149.0 70.7 16.9 23.7 20.9 1.8 71 71 A K - 0 0 138 1,-0.1 -4,-1.8 0, 0.0 -1,-0.2 -0.680 56.2 -97.4 -80.3 134.3 22.1 21.8 -1.6 72 72 A P B -S 66 0C 100 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.203 37.4-151.4 -52.4 133.8 19.0 19.6 -2.4 73 73 A L + 0 0 30 -8,-3.3 2,-0.2 -6,-0.1 -8,-0.0 -0.866 19.9 169.0-111.0 146.1 19.6 16.6 -4.7 74 74 A G >> - 0 0 15 -2,-0.3 4,-1.5 5,-0.0 3,-0.6 -0.630 50.4 -59.9-139.4-166.3 17.1 15.1 -7.0 75 75 A L H 3> S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.879 127.7 46.3 -51.9 -50.3 16.6 12.7 -9.9 76 76 A N H 34 S+ 0 0 131 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.742 108.1 57.5 -73.6 -21.8 19.0 14.3 -12.4 77 77 A D H <4 S+ 0 0 107 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.875 116.6 33.7 -69.1 -38.1 21.7 14.7 -9.8 78 78 A Y H < S+ 0 0 9 -4,-1.5 -2,-0.2 -3,-0.3 38,-0.2 0.716 92.5 118.7 -90.2 -26.1 21.7 10.9 -9.0 79 79 A K < - 0 0 58 -4,-2.2 31,-0.1 -5,-0.2 -3,-0.0 -0.103 65.4-127.9 -45.7 127.1 21.0 9.8 -12.6 80 80 A D > - 0 0 17 29,-0.4 3,-1.9 1,-0.1 -1,-0.1 -0.605 27.8-117.5 -67.0 139.8 23.5 7.6 -14.4 81 81 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.711 114.6 51.2 -55.2 -22.4 24.3 9.3 -17.8 82 82 A E T 3 S+ 0 0 110 27,-0.1 2,-0.3 23,-0.1 27,-0.2 0.427 89.9 99.4 -95.5 -3.3 22.9 6.1 -19.5 83 83 A Y < + 0 0 5 -3,-1.9 2,-0.3 26,-0.2 23,-0.1 -0.670 41.7 167.9 -88.0 140.1 19.6 6.0 -17.6 84 84 A D > - 0 0 68 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.914 30.6-146.7-151.2 123.9 16.4 7.3 -19.1 85 85 A L H > S+ 0 0 50 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.908 101.5 50.6 -57.9 -47.8 12.9 6.7 -17.7 86 86 A D H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 115.1 43.9 -51.7 -48.6 11.2 6.6 -21.2 87 87 A K H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.769 109.9 55.2 -73.9 -28.4 13.7 4.1 -22.4 88 88 A Y H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.936 111.9 44.9 -63.1 -45.7 13.5 2.0 -19.2 89 89 A L H X S+ 0 0 30 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.894 114.3 46.8 -68.2 -46.7 9.8 1.7 -19.7 90 90 A K H < S+ 0 0 151 -4,-2.3 3,-0.4 -5,-0.2 -1,-0.2 0.892 112.0 54.1 -57.4 -45.6 10.0 0.9 -23.5 91 91 A A H < S+ 0 0 33 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.939 119.5 28.7 -54.0 -50.3 12.7 -1.6 -22.7 92 92 A Y H < S+ 0 0 4 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.251 76.5 139.7-110.9 11.6 10.7 -3.6 -20.1 93 93 A D >X - 0 0 59 -4,-1.0 4,-3.1 -3,-0.4 3,-1.7 -0.423 54.8-134.4 -51.8 116.3 7.1 -3.2 -21.2 94 94 A P H 3> S+ 0 0 50 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.796 101.5 67.7 -46.8 -39.4 5.5 -6.7 -20.7 95 95 A S H 34 S+ 0 0 101 1,-0.2 -2,-0.0 2,-0.2 -3,-0.0 0.833 121.3 13.1 -47.8 -45.0 3.9 -6.3 -24.1 96 96 A T H <4 S+ 0 0 106 -3,-1.7 -1,-0.2 -6,-0.1 -4,-0.1 0.665 135.3 42.5-107.9 -27.1 7.2 -6.5 -26.0 97 97 A W H >< S- 0 0 48 -4,-3.1 3,-0.5 1,-0.2 2,-0.2 0.791 89.0-160.1 -93.9 -34.3 9.6 -7.7 -23.3 98 98 A G T 3< - 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