==== 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 2O0V . 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) . 15460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 70.9 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 . 52 13.0 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 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 0 108 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 153.6 17.3 11.2 33.0 2 2 A D >> - 0 0 77 1,-0.1 4,-1.6 4,-0.0 3,-0.8 -0.203 360.0 -92.7 -75.5 174.5 16.5 12.9 29.7 3 3 A L T 34 S+ 0 0 17 396,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.871 125.8 57.5 -57.5 -38.7 15.6 11.1 26.4 4 4 A G T 34 S+ 0 0 0 1,-0.2 -1,-0.3 51,-0.1 20,-0.2 0.836 116.2 33.7 -58.8 -34.2 19.3 11.1 25.4 5 5 A H T <4 S+ 0 0 71 -3,-0.8 -1,-0.2 21,-0.1 -2,-0.2 0.555 91.3 108.9-105.4 -9.9 20.4 9.3 28.5 6 6 A Q < - 0 0 68 -4,-1.6 2,-0.3 -3,-0.2 19,-0.1 -0.351 52.9-150.8 -68.6 148.5 17.4 7.0 29.2 7 7 A T - 0 0 62 16,-0.1 2,-0.3 17,-0.1 15,-0.2 -0.766 31.1 -86.0-113.1 161.0 17.8 3.2 28.7 8 8 A L - 0 0 9 13,-2.4 13,-0.3 -2,-0.3 5,-0.0 -0.553 57.0-104.1 -63.3 127.5 15.2 0.6 27.7 9 9 A G > - 0 0 30 -2,-0.3 3,-2.2 1,-0.1 12,-0.1 -0.212 26.9-114.0 -55.3 143.8 13.6 -0.7 30.9 10 10 A S T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.589 116.5 37.0 -60.9 -14.0 14.8 -4.1 32.1 11 11 A N T 3 S+ 0 0 81 364,-0.1 2,-1.9 1,-0.1 -1,-0.3 0.332 85.4 115.7-112.1 1.2 11.3 -5.6 31.5 12 12 A D S < S- 0 0 27 -3,-2.2 3,-0.3 364,-0.2 364,-0.2 -0.466 81.8 -70.9 -88.7 75.7 10.4 -3.7 28.3 13 13 A G S > S- 0 0 0 -2,-1.9 3,-2.3 362,-0.3 4,-0.2 0.004 79.6 -41.6 76.3-178.7 10.2 -6.3 25.5 14 14 A W G > S+ 0 0 31 221,-0.5 3,-1.7 1,-0.3 222,-0.2 0.735 125.6 72.3 -57.6 -26.4 12.7 -8.4 23.7 15 15 A G G 3 S+ 0 0 0 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.721 91.4 59.5 -59.5 -22.2 15.1 -5.4 23.5 16 16 A A G < S+ 0 0 12 -3,-2.3 -1,-0.3 4,-0.2 -2,-0.2 0.484 79.7 123.0 -87.5 -4.1 15.7 -5.9 27.2 17 17 A Y S X S- 0 0 104 -3,-1.7 3,-2.6 -4,-0.2 2,-0.1 -0.243 80.2 -29.8 -63.0 146.5 17.0 -9.5 26.9 18 18 A S T 3 S+ 0 0 82 1,-0.3 -3,-0.0 2,-0.0 216,-0.0 -0.244 142.3 10.3 49.1-112.0 20.5 -10.4 28.2 19 19 A T T 3 S- 0 0 109 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.614 103.6-153.9 -73.1 -13.0 22.8 -7.3 28.0 20 20 A G < - 0 0 12 -3,-2.6 2,-0.6 -6,-0.1 -4,-0.2 -0.027 24.9 -62.1 70.1-172.8 19.7 -5.2 27.2 21 21 A T + 0 0 2 -13,-0.3 -13,-2.4 1,-0.1 -1,-0.1 -0.914 58.9 146.7-120.7 105.2 19.5 -1.9 25.3 22 22 A T > - 0 0 39 -2,-0.6 3,-2.2 -15,-0.2 4,-0.1 0.459 30.0-171.8-111.5 -8.6 21.4 1.0 26.9 23 23 A G T 3 - 0 0 3 1,-0.3 3,-0.3 170,-0.2 107,-0.2 -0.203 66.2 -28.4 48.9-129.9 22.4 2.8 23.6 24 24 A G T > S+ 0 0 0 30,-0.2 3,-2.6 -20,-0.2 -1,-0.3 0.121 95.3 125.4-101.9 20.6 24.8 5.6 24.2 25 25 A S T < S+ 0 0 21 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.784 73.1 54.3 -48.6 -33.5 23.6 6.4 27.8 26 26 A K T 3 S+ 0 0 156 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.268 80.9 144.2 -88.4 11.3 27.1 6.0 29.1 27 27 A A < - 0 0 17 -3,-2.6 27,-0.2 4,-0.1 2,-0.1 -0.183 45.5-132.1 -54.4 134.9 28.6 8.5 26.7 28 28 A S > - 0 0 63 25,-0.5 3,-1.7 1,-0.1 -1,-0.1 -0.338 36.1 -91.0 -77.5 170.4 31.4 10.8 27.8 29 29 A S G > S+ 0 0 115 1,-0.3 3,-1.2 2,-0.2 -2,-0.1 0.845 124.2 53.3 -51.8 -45.3 31.3 14.5 27.2 30 30 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 24,-0.0 -3,-0.0 0.533 103.6 59.7 -73.9 -6.6 33.1 14.5 23.9 31 31 A N G < S+ 0 0 22 -3,-1.7 24,-2.1 -7,-0.1 2,-0.5 0.082 79.7 97.1-112.1 22.2 30.7 11.9 22.5 32 32 A V E < -a 55 0A 53 -3,-1.2 2,-0.3 22,-0.2 24,-0.2 -0.964 55.4-177.4-112.2 119.9 27.5 13.9 22.9 33 33 A Y E -a 56 0A 69 22,-3.2 24,-3.1 -2,-0.5 2,-0.4 -0.862 24.9-155.0-121.4 148.6 26.5 15.6 19.6 34 34 A T E -a 57 0A 88 -2,-0.3 2,-0.4 22,-0.2 24,-0.2 -0.997 24.4-173.6-120.2 125.9 23.7 18.0 18.4 35 35 A V E +a 58 0A 3 22,-3.0 24,-3.2 -2,-0.4 3,-0.1 -0.934 25.3 169.2-128.5 142.0 23.0 17.7 14.7 36 36 A S + 0 0 55 -2,-0.4 2,-0.3 22,-0.2 25,-0.1 0.305 68.2 31.2-134.6 4.3 20.8 19.8 12.3 37 37 A N S > S- 0 0 33 25,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.956 86.9 -94.3-154.2 173.2 21.9 18.6 8.9 38 38 A R H > S+ 0 0 19 25,-0.4 4,-2.9 -2,-0.3 5,-0.3 0.896 119.7 53.7 -59.6 -46.2 23.2 15.6 6.9 39 39 A N H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 112.0 44.1 -53.7 -48.8 26.9 16.7 7.3 40 40 A Q H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 114.5 50.0 -67.3 -39.5 26.6 17.0 11.0 41 41 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.938 112.0 46.4 -61.7 -50.6 24.7 13.7 11.4 42 42 A V H X S+ 0 0 52 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.891 113.0 50.6 -61.3 -42.0 27.2 11.7 9.2 43 43 A S H < S+ 0 0 94 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.928 111.9 47.4 -60.4 -46.4 30.1 13.3 11.2 44 44 A A H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.905 113.8 46.8 -62.3 -44.8 28.6 12.3 14.5 45 45 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.909 86.7 171.7 -64.2 -43.0 27.8 8.8 13.4 46 46 A G < - 0 0 39 -4,-2.4 78,-0.2 -5,-0.2 -1,-0.1 -0.310 41.9 -38.5 63.1-148.7 31.2 8.2 12.0 47 47 A K > - 0 0 166 -4,-0.1 3,-2.3 78,-0.0 0, 0.0 -0.375 65.8 -86.9-104.7-180.0 32.2 4.7 10.9 48 48 A E T 3 S+ 0 0 125 1,-0.3 79,-0.4 -2,-0.1 -2,-0.0 0.764 124.5 66.2 -61.1 -23.9 31.5 1.2 12.2 49 49 A T T 3 S+ 0 0 126 1,-0.2 2,-2.1 77,-0.1 -1,-0.3 0.567 73.8 95.7 -70.7 -11.4 34.6 1.6 14.4 50 50 A N < + 0 0 28 -3,-2.3 -1,-0.2 1,-0.2 4,-0.1 -0.479 43.6 141.4 -82.2 69.5 32.8 4.4 16.3 51 51 A T + 0 0 74 -2,-2.1 -1,-0.2 75,-0.1 3,-0.1 0.470 25.6 115.1 -96.9 -4.5 31.7 2.0 19.1 52 52 A T S S- 0 0 67 -3,-0.2 -25,-0.1 1,-0.1 -28,-0.0 -0.415 86.1 -88.6 -58.3 141.5 32.1 4.4 22.1 53 53 A P + 0 0 41 0, 0.0 -25,-0.5 0, 0.0 2,-0.3 -0.308 61.1 177.5 -48.9 129.4 28.8 5.2 23.7 54 54 A K E - b 0 129A 0 74,-1.8 76,-2.4 -27,-0.2 2,-0.4 -0.987 25.1-152.7-142.4 148.7 27.4 8.3 22.0 55 55 A I E -ab 32 130A 0 -24,-2.1 -22,-3.2 -2,-0.3 2,-0.5 -0.992 10.3-168.3-124.0 131.5 24.3 10.4 22.1 56 56 A I E -ab 33 131A 0 74,-3.0 76,-2.6 -2,-0.4 2,-0.6 -0.959 4.2-161.8-125.5 111.9 23.1 12.3 19.1 57 57 A Y E -ab 34 132A 31 -24,-3.1 -22,-3.0 -2,-0.5 2,-0.5 -0.826 12.9-145.4 -92.0 123.1 20.4 14.9 19.5 58 58 A I E -ab 35 133A 0 74,-3.0 76,-3.0 -2,-0.6 2,-0.6 -0.817 11.5-162.1 -90.1 125.5 18.6 15.8 16.2 59 59 A K - 0 0 140 -24,-3.2 2,-0.1 -2,-0.5 76,-0.1 -0.935 52.6 -38.2-112.1 111.3 17.6 19.5 16.0 60 60 A G S S- 0 0 17 -2,-0.6 79,-2.5 74,-0.5 2,-0.5 -0.412 105.3 -12.4 79.1-150.2 15.0 20.3 13.4 61 61 A T E -j 139 0B 76 77,-0.2 2,-0.7 -2,-0.1 79,-0.2 -0.781 51.0-164.8 -97.9 122.6 14.7 18.8 9.9 62 62 A I E -j 140 0B 0 77,-2.9 79,-3.0 -2,-0.5 2,-0.6 -0.909 6.0-162.0-106.2 107.2 17.5 16.7 8.4 63 63 A D E -j 141 0B 61 -2,-0.7 -25,-0.4 77,-0.2 79,-0.2 -0.796 3.8-169.0 -85.7 119.9 17.1 16.3 4.6 64 64 A M S S+ 0 0 0 77,-2.9 2,-1.6 -2,-0.6 78,-0.2 0.649 71.7 81.0 -87.4 -17.1 19.2 13.3 3.5 65 65 A N S S+ 0 0 6 76,-0.5 8,-2.9 56,-0.1 2,-0.3 -0.489 75.4 106.8 -86.5 65.5 18.8 14.0 -0.2 66 66 A V B -S 72 0C 7 -2,-1.6 2,-0.0 6,-0.3 0, 0.0 -0.976 65.2-121.5-140.9 153.0 21.5 16.7 -0.2 67 67 A D > - 0 0 44 4,-2.2 3,-2.2 -2,-0.3 -28,-0.2 -0.113 51.1 -79.5 -81.5-173.6 25.1 17.1 -1.4 68 68 A D T 3 S+ 0 0 98 1,-0.3 -1,-0.1 2,-0.1 -29,-0.0 0.607 134.3 50.8 -70.5 -10.3 28.1 17.9 0.7 69 69 A N T 3 S- 0 0 132 2,-0.1 -1,-0.3 -30,-0.0 -2,-0.0 0.160 121.5-108.6-103.7 12.9 27.1 21.6 0.7 70 70 A L < + 0 0 68 -3,-2.2 -2,-0.1 1,-0.2 -7,-0.1 0.655 67.1 152.7 68.1 19.3 23.6 20.7 1.7 71 71 A K - 0 0 136 1,-0.1 -4,-2.2 0, 0.0 -1,-0.2 -0.677 53.1-104.9 -78.6 129.3 22.1 21.5 -1.7 72 72 A P B -S 66 0C 102 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.240 35.0-152.6 -56.5 138.9 19.0 19.5 -2.4 73 73 A L + 0 0 30 -8,-2.9 2,-0.2 -6,-0.1 -8,-0.0 -0.929 18.3 171.1-116.3 141.1 19.4 16.5 -4.8 74 74 A G >> - 0 0 17 -2,-0.4 4,-1.5 5,-0.0 3,-1.1 -0.577 50.9 -59.8-132.0-165.3 16.7 15.1 -7.0 75 75 A L H 3> S+ 0 0 67 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.885 128.6 48.7 -47.8 -53.2 16.1 12.6 -9.9 76 76 A N H 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.695 108.7 54.5 -69.3 -19.2 18.4 14.4 -12.4 77 77 A D H <4 S+ 0 0 103 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.831 116.6 36.3 -77.1 -34.9 21.3 14.6 -9.9 78 78 A Y H < S+ 0 0 8 -4,-1.5 38,-0.2 -3,-0.5 -2,-0.2 0.711 91.0 115.0 -89.9 -24.9 21.3 10.9 -9.2 79 79 A K < - 0 0 58 -4,-2.1 31,-0.1 -5,-0.2 -5,-0.0 -0.240 66.7-126.5 -58.2 125.5 20.4 9.7 -12.7 80 80 A D > - 0 0 19 29,-0.4 3,-1.8 1,-0.1 -1,-0.1 -0.471 28.5-114.6 -60.6 139.4 23.1 7.7 -14.6 81 81 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.746 116.4 49.3 -50.6 -26.5 23.8 9.3 -18.0 82 82 A E T 3 S+ 0 0 108 27,-0.1 2,-0.3 23,-0.1 27,-0.2 0.538 89.4 100.6 -92.4 -11.7 22.3 6.2 -19.7 83 83 A Y < + 0 0 4 -3,-1.8 2,-0.3 26,-0.3 23,-0.1 -0.616 40.2 165.8 -80.3 133.3 19.1 6.0 -17.7 84 84 A D > - 0 0 66 -2,-0.3 4,-3.0 1,-0.1 3,-0.3 -0.910 30.5-148.5-146.5 120.2 15.9 7.3 -19.2 85 85 A L H > S+ 0 0 43 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.887 100.1 52.9 -55.1 -46.2 12.4 6.5 -17.7 86 86 A D H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 115.0 42.0 -52.0 -46.6 10.7 6.6 -21.1 87 87 A K H > S+ 0 0 124 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.853 111.8 53.8 -74.9 -35.6 13.2 4.1 -22.5 88 88 A Y H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.948 112.2 45.9 -57.9 -49.7 13.1 2.0 -19.3 89 89 A L H X S+ 0 0 31 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.901 114.2 47.7 -59.7 -43.8 9.3 1.8 -19.7 90 90 A K H < S+ 0 0 158 -4,-2.1 3,-0.4 -5,-0.2 -1,-0.2 0.889 111.1 52.0 -65.5 -40.9 9.6 1.0 -23.4 91 91 A A H < S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 118.8 33.0 -62.7 -41.1 12.2 -1.7 -22.9 92 92 A Y H < S+ 0 0 4 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.262 75.7 138.9-111.9 11.8 10.3 -3.7 -20.2 93 93 A D >X> - 0 0 62 -4,-0.7 4,-3.7 -3,-0.4 3,-2.0 -0.405 56.0-134.4 -52.5 119.3 6.7 -3.2 -21.2 94 94 A P H 3>5S+ 0 0 50 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.796 103.1 68.5 -48.4 -32.1 5.1 -6.7 -20.7 95 95 A S H 345S+ 0 0 104 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.790 122.1 10.8 -56.0 -35.6 3.5 -6.2 -24.2 96 96 A T H <45S+ 0 0 108 -3,-2.0 -1,-0.2 2,-0.1 -4,-0.1 0.693 134.5 45.4-116.1 -33.3 6.9 -6.5 -25.9 97 97 A W H ><5S- 0 0 46 -4,-3.7 3,-0.7 1,-0.2 -2,-0.1 0.703 89.0-156.1 -85.6 -24.5 9.3 -7.7 -23.2 98 98 A G T 3<< - 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