==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 31-JUL-98 2BSP . COMPND 2 MOLECULE: PROTEIN (PECTATE LYASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.PICKERSGILL . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 109 27.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.0 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 . 50 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 10.5 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 10 5 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 . 1 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 0 110 0, 0.0 2,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 157.4 20.3 -7.4 88.9 2 2 A D >> - 0 0 81 1,-0.1 4,-1.0 4,-0.0 3,-1.0 -0.299 360.0 -87.7 -84.2 176.1 19.5 -5.4 85.7 3 3 A L G >4 S+ 0 0 11 396,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.880 126.7 51.9 -52.8 -45.4 18.4 -6.8 82.4 4 4 A G G 34 S+ 0 0 0 1,-0.2 -1,-0.3 128,-0.1 20,-0.2 0.781 115.5 40.9 -62.5 -30.4 22.0 -7.3 81.1 5 5 A H G <4 S+ 0 0 68 -3,-1.0 -1,-0.2 21,-0.1 -2,-0.2 0.437 87.0 112.2-100.6 -2.8 23.0 -9.2 84.2 6 6 A Q << - 0 0 73 -4,-1.0 2,-0.3 -3,-0.7 19,-0.1 -0.426 50.1-156.7 -72.6 145.0 19.9 -11.4 84.8 7 7 A T - 0 0 63 -2,-0.1 15,-0.2 16,-0.1 2,-0.2 -0.760 30.7 -82.0-116.5 167.7 20.3 -15.1 84.3 8 8 A L - 0 0 11 13,-2.4 13,-0.2 -2,-0.3 5,-0.0 -0.506 57.0-101.1 -70.3 136.5 17.8 -17.9 83.5 9 9 A G > - 0 0 32 -2,-0.2 3,-1.7 1,-0.1 12,-0.1 -0.217 30.4-113.7 -55.5 149.3 16.0 -19.1 86.6 10 10 A S T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.595 115.2 30.8 -65.7 -13.6 17.3 -22.4 88.0 11 11 A N T 3 S+ 0 0 83 364,-0.1 2,-1.7 6,-0.0 -1,-0.3 0.213 85.7 121.0-125.3 14.3 14.1 -24.3 87.2 12 12 A D S < S- 0 0 29 -3,-1.7 3,-0.4 364,-0.2 364,-0.2 -0.483 80.2 -66.0 -88.5 76.6 13.0 -22.3 84.1 13 13 A G S > S- 0 0 0 -2,-1.7 3,-2.2 1,-0.2 4,-0.2 -0.010 81.0 -43.0 79.8-178.0 12.8 -24.9 81.3 14 14 A W G > S+ 0 0 25 221,-0.4 3,-1.5 1,-0.3 222,-0.2 0.736 124.7 72.0 -61.8 -21.1 15.4 -27.1 79.6 15 15 A G G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.712 90.2 62.6 -65.7 -20.5 17.8 -24.2 79.3 16 16 A A G < S+ 0 0 14 -3,-2.2 -1,-0.3 4,-0.2 -2,-0.2 0.467 78.9 119.8 -83.4 -2.3 18.4 -24.5 83.1 17 17 A Y S X S- 0 0 106 -3,-1.5 3,-2.6 -4,-0.2 2,-0.1 -0.282 80.7 -24.3 -64.8 152.8 19.8 -28.1 82.8 18 18 A S T 3 S+ 0 0 80 1,-0.3 -3,-0.0 175,-0.0 216,-0.0 -0.271 142.6 8.8 48.4-113.2 23.3 -28.9 84.0 19 19 A T T 3 S- 0 0 105 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.581 101.8-146.8 -72.9 -10.3 25.4 -25.6 83.9 20 20 A G < - 0 0 12 -3,-2.6 2,-0.5 -6,-0.1 -4,-0.2 -0.138 26.4 -67.2 74.5-173.5 22.3 -23.5 83.2 21 21 A T + 0 0 3 -13,-0.2 -13,-2.4 1,-0.1 -1,-0.1 -0.937 58.9 148.5-124.0 105.4 22.1 -20.4 81.0 22 22 A T > - 0 0 54 -2,-0.5 3,-2.2 1,-0.2 4,-0.1 0.416 28.8-170.6-114.0 -5.9 24.0 -17.4 82.5 23 23 A G T 3 - 0 0 4 1,-0.2 3,-0.3 170,-0.2 -1,-0.2 -0.197 66.0 -26.8 50.1-131.6 25.0 -15.8 79.2 24 24 A G T > S+ 0 0 0 -20,-0.2 3,-2.3 1,-0.2 -1,-0.2 0.091 95.0 125.7-104.5 26.0 27.5 -12.9 79.7 25 25 A S T < S+ 0 0 22 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.736 70.2 56.7 -56.0 -29.3 26.3 -12.1 83.3 26 26 A K T 3 S+ 0 0 181 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.348 81.0 136.3 -86.5 8.7 29.8 -12.4 84.7 27 27 A A < - 0 0 16 -3,-2.3 27,-0.1 4,-0.1 2,-0.1 -0.152 53.2-128.0 -57.2 143.6 31.2 -9.8 82.2 28 28 A S > - 0 0 59 25,-0.4 3,-1.7 1,-0.1 27,-0.2 -0.471 34.7 -99.2 -82.5 169.8 33.6 -7.1 83.5 29 29 A S G > S+ 0 0 112 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.803 122.1 61.3 -64.0 -28.8 32.7 -3.4 82.7 30 30 A S G 3 S+ 0 0 83 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.694 101.9 53.5 -71.1 -17.4 35.1 -3.4 79.7 31 31 A N G < S+ 0 0 31 -3,-1.7 24,-2.5 -7,-0.1 2,-0.6 0.052 84.7 100.1-106.9 26.1 33.0 -6.1 78.1 32 32 A V E < -a 55 0A 50 -3,-1.4 2,-0.3 22,-0.2 24,-0.2 -0.955 56.1-177.0-110.3 114.3 29.7 -4.2 78.4 33 33 A Y E -a 56 0A 74 22,-2.9 24,-3.2 -2,-0.6 2,-0.5 -0.908 25.7-154.5-118.1 149.8 28.9 -2.6 75.0 34 34 A T E -a 57 0A 95 -2,-0.3 2,-0.4 22,-0.2 24,-0.2 -0.986 24.8-173.2-120.2 115.2 26.1 -0.3 73.7 35 35 A V E +a 58 0A 2 22,-3.0 24,-2.7 -2,-0.5 3,-0.1 -0.915 23.7 171.3-117.3 145.6 25.7 -0.7 70.0 36 36 A S + 0 0 56 -2,-0.4 2,-0.3 22,-0.2 25,-0.1 0.282 66.4 29.4-135.4 11.7 23.5 1.2 67.5 37 37 A N S > S- 0 0 30 25,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.967 87.1 -92.4-159.9 171.9 24.5 -0.0 64.0 38 38 A R H > S+ 0 0 18 25,-0.4 4,-2.8 -2,-0.3 5,-0.3 0.882 119.2 54.6 -60.3 -41.9 25.9 -3.1 62.2 39 39 A N H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 110.9 44.4 -58.8 -48.5 29.5 -2.0 62.5 40 40 A Q H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 113.8 51.6 -64.7 -39.3 29.4 -1.7 66.3 41 41 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.955 111.5 44.5 -62.7 -51.3 27.4 -4.9 66.7 42 42 A V H X S+ 0 0 41 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.884 113.5 52.2 -64.0 -35.5 29.9 -7.0 64.6 43 43 A S H < S+ 0 0 100 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.879 109.9 48.0 -64.9 -41.0 32.8 -5.4 66.5 44 44 A A H < S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.867 111.8 49.7 -70.0 -36.5 31.4 -6.2 69.9 45 45 A L H < S+ 0 0 1 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.911 86.6 179.0 -68.9 -42.7 30.6 -9.8 69.0 46 46 A G < - 0 0 41 -4,-2.0 78,-0.2 -5,-0.2 -1,-0.1 -0.314 37.7 -46.1 71.3-158.3 34.1 -10.5 67.6 47 47 A K > - 0 0 173 -4,-0.1 3,-2.2 78,-0.1 0, 0.0 -0.358 66.4 -79.9 -99.9-173.3 34.9 -14.0 66.3 48 48 A E T 3 S+ 0 0 173 1,-0.3 79,-0.4 -2,-0.1 -1,-0.0 0.820 125.4 62.6 -56.1 -34.4 34.3 -17.6 67.6 49 49 A T T 3 S+ 0 0 119 1,-0.2 2,-2.1 77,-0.1 -1,-0.3 0.569 75.1 96.9 -70.0 -11.7 37.4 -17.2 69.9 50 50 A N < + 0 0 41 -3,-2.2 -1,-0.2 1,-0.2 4,-0.1 -0.484 40.3 144.7 -81.1 71.1 35.7 -14.4 71.8 51 51 A T + 0 0 72 -2,-2.1 -1,-0.2 75,-0.1 3,-0.1 0.406 26.7 119.8 -91.3 2.2 34.4 -16.6 74.7 52 52 A T S S- 0 0 70 -3,-0.2 -25,-0.1 1,-0.1 -28,-0.0 -0.455 81.7 -93.5 -66.3 137.8 34.9 -14.0 77.4 53 53 A P + 0 0 41 0, 0.0 -25,-0.4 0, 0.0 2,-0.3 -0.280 57.9 176.2 -53.9 130.1 31.6 -13.2 79.1 54 54 A K E - b 0 129A 1 74,-1.7 76,-2.2 -27,-0.1 2,-0.4 -0.993 25.9-151.4-142.5 148.0 30.2 -10.1 77.4 55 55 A I E -ab 32 130A 0 -24,-2.5 -22,-2.9 -2,-0.3 2,-0.5 -0.988 13.7-168.9-122.6 125.4 27.0 -8.0 77.6 56 56 A I E -ab 33 131A 0 74,-3.0 76,-2.4 -2,-0.4 2,-0.5 -0.965 5.1-160.6-120.7 119.9 25.7 -6.2 74.5 57 57 A Y E -ab 34 132A 30 -24,-3.2 -22,-3.0 -2,-0.5 2,-0.6 -0.856 10.2-147.5 -97.0 125.9 22.9 -3.6 74.6 58 58 A I E -ab 35 133A 0 74,-2.3 76,-2.9 -2,-0.5 2,-0.5 -0.840 14.3-166.9 -92.7 120.4 21.1 -2.8 71.3 59 59 A K - 0 0 134 -24,-2.7 2,-0.1 -2,-0.6 76,-0.1 -0.943 52.4 -29.6-111.6 119.6 20.0 0.8 71.2 60 60 A G S S- 0 0 19 -2,-0.5 79,-2.7 74,-0.4 2,-0.5 -0.383 106.7 -19.6 78.9-153.2 17.5 1.8 68.5 61 61 A T E -j 139 0B 76 77,-0.2 2,-0.6 -25,-0.1 79,-0.2 -0.798 50.8-162.4 -99.3 129.7 17.2 0.1 65.1 62 62 A I E -j 140 0B 0 77,-2.8 79,-2.9 -2,-0.5 2,-0.6 -0.928 5.9-162.4-111.9 109.4 20.0 -2.0 63.6 63 63 A D E -j 141 0B 64 -2,-0.6 -25,-0.4 77,-0.2 79,-0.2 -0.825 3.9-167.3 -90.6 123.4 19.6 -2.5 59.9 64 64 A M S S+ 0 0 0 77,-2.6 2,-1.4 -2,-0.6 78,-0.1 0.608 72.7 80.4 -87.7 -12.4 21.8 -5.4 58.7 65 65 A N S S+ 0 0 6 76,-0.4 8,-2.9 56,-0.1 2,-0.3 -0.513 73.9 106.8 -92.0 63.1 21.5 -4.7 55.0 66 66 A V B -S 72 0C 9 -2,-1.4 2,-0.1 6,-0.3 0, 0.0 -0.952 64.2-123.9-134.4 157.4 24.2 -2.0 55.0 67 67 A D > - 0 0 48 4,-2.0 3,-1.7 -2,-0.3 -28,-0.2 -0.194 48.4 -79.9 -89.8-169.1 27.8 -1.7 53.8 68 68 A D T 3 S+ 0 0 99 1,-0.3 -1,-0.0 2,-0.1 -29,-0.0 0.684 132.8 51.9 -72.0 -11.3 30.9 -0.8 55.8 69 69 A N T 3 S- 0 0 130 2,-0.1 -1,-0.3 -30,-0.0 0, 0.0 0.162 121.6-107.3-103.0 15.8 30.0 2.9 55.6 70 70 A L < + 0 0 65 -3,-1.7 -2,-0.1 1,-0.2 -7,-0.1 0.694 68.8 150.3 66.4 24.6 26.4 2.2 56.8 71 71 A K - 0 0 125 1,-0.1 -4,-2.0 0, 0.0 -1,-0.2 -0.714 53.1-106.6 -87.6 133.7 24.9 2.8 53.4 72 72 A P B -S 66 0C 88 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.295 32.2-150.1 -59.8 134.7 21.7 0.8 52.7 73 73 A L + 0 0 31 -8,-2.9 2,-0.2 -6,-0.1 -8,-0.0 -0.922 19.4 174.3-110.8 134.8 22.1 -2.1 50.3 74 74 A G >> - 0 0 19 -2,-0.4 4,-1.5 5,-0.0 3,-0.8 -0.468 50.3 -65.3-121.7-164.3 19.3 -3.4 48.1 75 75 A L H 3> S+ 0 0 58 1,-0.3 4,-1.9 2,-0.2 3,-0.3 0.897 128.8 50.1 -51.0 -51.1 18.6 -5.9 45.3 76 76 A N H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.747 107.3 54.2 -66.9 -23.7 20.9 -4.1 42.8 77 77 A D H <4 S+ 0 0 103 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.818 116.3 37.0 -77.9 -31.8 23.9 -3.9 45.2 78 78 A Y H < S+ 0 0 7 -4,-1.5 38,-0.2 -3,-0.3 -2,-0.2 0.707 90.5 111.8 -89.7 -28.0 23.9 -7.7 45.9 79 79 A K < - 0 0 56 -4,-1.9 31,-0.1 -5,-0.2 -5,-0.0 -0.216 68.1-124.4 -55.1 135.8 23.0 -9.0 42.4 80 80 A D > - 0 0 19 29,-0.3 3,-1.2 1,-0.1 -1,-0.1 -0.559 29.2-112.5 -75.5 147.3 25.6 -10.9 40.4 81 81 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.783 115.3 45.9 -52.1 -35.0 26.2 -9.3 37.0 82 82 A E T 3 S+ 0 0 112 23,-0.1 2,-0.2 27,-0.1 27,-0.1 0.647 89.1 104.7 -85.5 -17.5 24.7 -12.2 35.1 83 83 A Y < + 0 0 8 -3,-1.2 2,-0.3 26,-0.2 23,-0.1 -0.452 38.8 166.7 -70.7 134.5 21.6 -12.6 37.3 84 84 A D > - 0 0 60 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.923 30.3-149.2-146.9 119.1 18.3 -11.4 35.9 85 85 A L H > S+ 0 0 41 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.879 100.4 52.9 -56.6 -42.5 14.9 -12.3 37.4 86 86 A D H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 113.1 44.2 -60.5 -40.4 13.1 -12.2 34.0 87 87 A K H > S+ 0 0 131 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.865 111.4 54.1 -72.8 -33.3 15.7 -14.6 32.6 88 88 A Y H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.956 109.5 48.0 -62.6 -47.1 15.5 -16.8 35.7 89 89 A L H X S+ 0 0 24 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.916 112.8 47.7 -61.3 -42.8 11.7 -17.1 35.3 90 90 A K H < S+ 0 0 164 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.876 111.4 51.1 -64.1 -43.0 12.0 -18.0 31.6 91 91 A A H < S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.894 117.8 33.7 -64.6 -45.3 14.7 -20.6 32.2 92 92 A Y H < S+ 0 0 3 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.270 76.7 142.7-102.4 15.6 13.0 -22.6 34.9 93 93 A D >X> - 0 0 62 -4,-0.6 4,-3.7 -3,-0.4 3,-1.5 -0.310 54.7-131.3 -55.7 124.1 9.3 -22.3 33.9 94 94 A P H 3>5S+ 0 0 51 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.787 103.0 60.8 -48.0 -36.1 7.7 -25.7 34.7 95 95 A S H 345S+ 0 0 103 1,-0.1 4,-0.1 2,-0.1 -2,-0.1 0.837 122.8 19.7 -64.8 -34.6 6.1 -25.9 31.3 96 96 A T H <45S+ 0 0 108 -3,-1.5 -1,-0.1 2,-0.1 -4,-0.1 0.780 132.4 40.6-104.1 -36.4 9.4 -25.8 29.5 97 97 A W H <5S- 0 0 59 -4,-3.7 3,-0.3 1,-0.2 -2,-0.1 0.780 92.2-153.5 -85.7 -30.4 11.9 -26.9 32.2 98 98 A G << - 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