==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-NOV-06 2O0W . 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) . 285 71.4 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 . 54 13.5 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 0 105 0, 0.0 5,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 150.0 17.5 11.1 32.9 2 2 A D >> - 0 0 81 1,-0.1 4,-1.4 4,-0.0 3,-0.8 -0.179 360.0 -88.4 -74.8 176.3 16.7 13.2 29.8 3 3 A L T 34 S+ 0 0 19 1,-0.3 3,-0.4 396,-0.2 -1,-0.1 0.889 127.3 52.6 -55.7 -43.3 15.7 11.7 26.5 4 4 A G T 34 S+ 0 0 0 1,-0.2 -1,-0.3 128,-0.1 20,-0.2 0.793 115.8 39.7 -62.4 -30.2 19.3 11.3 25.3 5 5 A H T <4 S+ 0 0 68 -3,-0.8 -1,-0.2 21,-0.1 -2,-0.2 0.535 88.6 110.4-101.7 -9.6 20.3 9.4 28.5 6 6 A Q < - 0 0 70 -4,-1.4 2,-0.3 -3,-0.4 19,-0.1 -0.346 51.1-155.6 -67.8 146.3 17.3 7.2 29.0 7 7 A T - 0 0 63 16,-0.1 2,-0.3 17,-0.1 15,-0.2 -0.780 30.6 -85.5-116.7 162.7 17.6 3.5 28.5 8 8 A L - 0 0 9 13,-2.4 13,-0.3 -2,-0.3 5,-0.0 -0.551 55.6-104.7 -66.1 130.8 15.1 0.8 27.6 9 9 A G > - 0 0 30 -2,-0.3 3,-2.1 1,-0.1 -1,-0.1 -0.250 26.8-114.9 -59.0 144.7 13.5 -0.5 30.9 10 10 A S T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.551 115.9 37.8 -64.0 -8.7 14.7 -3.9 32.0 11 11 A N T 3 S+ 0 0 82 364,-0.1 2,-1.9 1,-0.1 -1,-0.3 0.352 85.3 114.0-115.2 -0.3 11.2 -5.5 31.4 12 12 A D S < S- 0 0 28 -3,-2.1 3,-0.4 364,-0.2 364,-0.2 -0.459 83.2 -70.1 -88.9 73.7 10.3 -3.6 28.3 13 13 A G S > S- 0 0 0 -2,-1.9 3,-2.0 1,-0.2 4,-0.2 -0.055 79.4 -41.9 81.0-178.5 10.1 -6.2 25.5 14 14 A W G > S+ 0 0 33 221,-0.5 3,-1.5 1,-0.3 222,-0.2 0.713 125.0 72.0 -59.5 -24.9 12.7 -8.3 23.7 15 15 A G G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.741 91.7 60.5 -60.2 -22.3 15.1 -5.3 23.4 16 16 A A G < S+ 0 0 14 -3,-2.0 -1,-0.2 4,-0.2 -2,-0.2 0.513 79.5 120.7 -85.1 -7.9 15.7 -5.8 27.2 17 17 A Y S X S- 0 0 107 -3,-1.5 3,-2.7 -4,-0.2 2,-0.1 -0.198 80.8 -27.2 -61.9 149.1 17.0 -9.3 26.9 18 18 A S T 3 S+ 0 0 82 1,-0.3 -3,-0.0 2,-0.0 216,-0.0 -0.237 142.5 8.1 47.9-112.4 20.6 -10.2 28.1 19 19 A T T 3 S- 0 0 106 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.611 103.0-153.7 -74.2 -13.1 22.7 -7.0 28.0 20 20 A G < - 0 0 11 -3,-2.7 2,-0.6 -6,-0.1 -4,-0.2 -0.065 25.6 -61.2 71.0-171.0 19.6 -4.9 27.1 21 21 A T + 0 0 3 -13,-0.3 -13,-2.4 1,-0.1 -1,-0.1 -0.907 59.4 145.5-122.7 104.5 19.4 -1.7 25.2 22 22 A T > - 0 0 38 -2,-0.6 3,-2.2 1,-0.2 4,-0.1 0.433 31.0-171.3-112.6 -7.2 21.3 1.3 26.7 23 23 A G T 3 - 0 0 3 1,-0.3 3,-0.3 170,-0.2 107,-0.2 -0.194 66.6 -27.4 48.5-129.1 22.3 2.9 23.4 24 24 A G T > S+ 0 0 0 30,-0.2 3,-2.7 -20,-0.2 -1,-0.3 0.096 95.2 125.9-100.9 22.8 24.7 5.8 24.1 25 25 A S T < S+ 0 0 19 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.758 72.1 55.8 -53.2 -28.8 23.5 6.6 27.6 26 26 A K T 3 S+ 0 0 161 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.295 82.0 138.6 -88.7 11.2 27.0 6.2 28.9 27 27 A A < - 0 0 15 -3,-2.7 2,-0.2 4,-0.1 27,-0.2 -0.228 49.9-131.9 -58.2 137.2 28.4 8.9 26.5 28 28 A S > - 0 0 61 25,-0.5 3,-2.2 1,-0.1 27,-0.2 -0.490 34.2 -98.1 -77.7 161.8 30.9 11.4 27.6 29 29 A S G > S+ 0 0 110 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.801 123.1 60.2 -48.5 -40.8 30.2 15.1 26.8 30 30 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.590 104.5 51.8 -70.0 -11.3 32.6 15.0 23.8 31 31 A N G < S+ 0 0 29 -3,-2.2 24,-2.5 -7,-0.1 2,-0.5 0.018 85.6 98.7-113.9 24.9 30.4 12.2 22.3 32 32 A V E < -a 55 0A 48 -3,-1.6 2,-0.3 22,-0.2 24,-0.2 -0.969 56.0-176.6-111.7 117.5 27.1 14.2 22.6 33 33 A Y E -a 56 0A 68 22,-3.3 24,-3.4 -2,-0.5 2,-0.5 -0.882 26.0-154.9-120.6 146.3 26.1 15.9 19.3 34 34 A T E -a 57 0A 86 -2,-0.3 2,-0.4 22,-0.2 24,-0.2 -0.993 24.5-174.0-114.7 123.1 23.4 18.2 18.1 35 35 A V E +a 58 0A 3 22,-2.9 24,-2.9 -2,-0.5 3,-0.1 -0.946 23.5 169.7-124.4 139.4 22.9 17.8 14.3 36 36 A S + 0 0 59 -2,-0.4 2,-0.3 22,-0.2 25,-0.1 0.257 67.3 30.6-132.6 10.3 20.7 19.8 12.0 37 37 A N S > S- 0 0 32 25,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.968 87.6 -93.1-159.5 170.4 21.7 18.6 8.5 38 38 A R H > S+ 0 0 18 25,-0.5 4,-3.0 -2,-0.3 5,-0.3 0.896 120.0 53.0 -56.5 -47.0 23.1 15.5 6.6 39 39 A N H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 111.8 44.6 -55.3 -48.8 26.8 16.6 7.0 40 40 A Q H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 114.7 49.6 -65.3 -40.5 26.5 17.0 10.8 41 41 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.937 112.2 46.3 -63.0 -49.2 24.6 13.7 11.1 42 42 A V H X S+ 0 0 53 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.891 113.5 50.1 -61.6 -42.2 27.1 11.7 9.0 43 43 A S H < S+ 0 0 98 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.896 111.8 47.9 -61.8 -42.9 30.0 13.3 10.9 44 44 A A H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.895 113.3 47.4 -66.1 -42.2 28.4 12.4 14.3 45 45 A L H < S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.902 86.6 173.6 -65.8 -42.5 27.7 8.8 13.3 46 46 A G < - 0 0 41 -4,-2.3 78,-0.1 -5,-0.2 -1,-0.1 -0.263 41.1 -39.6 63.5-154.2 31.2 8.2 11.9 47 47 A K > - 0 0 167 -4,-0.1 3,-2.4 78,-0.1 0, 0.0 -0.335 65.5 -87.5 -99.6 179.9 32.1 4.7 10.7 48 48 A E T 3 S+ 0 0 121 1,-0.3 79,-0.4 -2,-0.1 -1,-0.0 0.757 124.6 66.5 -62.0 -22.2 31.4 1.2 12.1 49 49 A T T 3 S+ 0 0 124 1,-0.2 2,-2.0 77,-0.1 -1,-0.3 0.563 74.2 95.4 -72.3 -9.8 34.5 1.6 14.2 50 50 A N < + 0 0 35 -3,-2.4 -1,-0.2 1,-0.2 4,-0.1 -0.458 43.3 141.8 -83.3 67.5 32.8 4.4 16.2 51 51 A T + 0 0 71 -2,-2.0 -1,-0.2 75,-0.1 3,-0.1 0.472 26.3 114.9 -92.4 -4.3 31.6 2.1 19.0 52 52 A T S S- 0 0 67 -3,-0.2 -25,-0.1 1,-0.1 -28,-0.0 -0.421 85.7 -88.3 -63.8 141.8 32.1 4.5 21.9 53 53 A P + 0 0 45 0, 0.0 -25,-0.5 0, 0.0 2,-0.3 -0.298 60.2 176.7 -50.5 129.9 28.7 5.4 23.6 54 54 A K E - b 0 129A 0 74,-1.7 76,-2.4 -27,-0.2 2,-0.4 -0.990 25.0-151.8-142.0 148.9 27.3 8.5 21.8 55 55 A I E -ab 32 130A 0 -24,-2.5 -22,-3.3 -2,-0.3 2,-0.5 -0.989 10.8-168.9-123.7 127.9 24.2 10.6 21.9 56 56 A I E -ab 33 131A 0 74,-3.2 76,-2.6 -2,-0.4 2,-0.5 -0.949 4.5-161.9-122.2 110.3 22.9 12.4 18.8 57 57 A Y E -ab 34 132A 33 -24,-3.4 -22,-2.9 -2,-0.5 2,-0.6 -0.810 12.7-145.6 -88.3 124.1 20.1 15.0 19.2 58 58 A I E -ab 35 133A 0 74,-2.8 76,-3.0 -2,-0.5 2,-0.6 -0.841 13.4-163.8 -90.2 120.2 18.4 15.8 15.9 59 59 A K - 0 0 136 -24,-2.9 2,-0.1 -2,-0.6 76,-0.1 -0.927 52.2 -35.0-110.0 114.3 17.4 19.4 15.7 60 60 A G S S- 0 0 18 -2,-0.6 79,-2.8 74,-0.5 2,-0.5 -0.413 106.3 -14.2 78.6-150.4 14.8 20.3 13.0 61 61 A T E -j 139 0B 75 77,-0.2 2,-0.7 -25,-0.1 79,-0.2 -0.801 50.9-165.2 -99.1 123.4 14.5 18.8 9.6 62 62 A I E -j 140 0B 0 77,-2.9 79,-2.9 -2,-0.5 2,-0.6 -0.919 6.2-162.7-108.1 106.6 17.3 16.7 8.1 63 63 A D E -j 141 0B 58 -2,-0.7 -25,-0.5 77,-0.2 79,-0.2 -0.800 4.0-167.8 -86.5 121.2 16.9 16.1 4.4 64 64 A M S S+ 0 0 0 77,-2.8 2,-1.6 -2,-0.6 78,-0.2 0.625 72.1 81.8 -89.0 -15.3 19.1 13.2 3.3 65 65 A N S S+ 0 0 5 76,-0.5 8,-2.7 56,-0.1 2,-0.3 -0.521 74.5 107.1 -88.2 66.4 18.7 13.9 -0.5 66 66 A V B -S 72 0C 7 -2,-1.6 2,-0.0 6,-0.3 0, 0.0 -0.983 64.9-122.5-141.4 150.7 21.4 16.6 -0.5 67 67 A D > - 0 0 42 4,-2.3 3,-2.2 -2,-0.3 -28,-0.2 -0.137 50.0 -81.1 -80.5-174.5 25.0 16.9 -1.7 68 68 A D T 3 S+ 0 0 98 1,-0.3 -1,-0.1 2,-0.1 -29,-0.0 0.623 134.3 52.1 -68.8 -12.7 28.0 17.8 0.5 69 69 A N T 3 S- 0 0 125 2,-0.1 -1,-0.3 -30,-0.0 -2,-0.0 0.210 120.9-110.6-100.8 10.9 27.1 21.5 0.2 70 70 A L < + 0 0 68 -3,-2.2 -2,-0.1 1,-0.2 -7,-0.1 0.659 66.8 150.8 67.2 20.6 23.5 20.6 1.4 71 71 A K - 0 0 128 1,-0.1 -4,-2.3 0, 0.0 -1,-0.2 -0.700 54.2-103.5 -81.0 131.1 22.0 21.4 -2.0 72 72 A P B -S 66 0C 100 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.229 34.1-150.8 -55.0 137.9 18.9 19.3 -2.7 73 73 A L + 0 0 30 -8,-2.7 2,-0.2 -6,-0.1 -8,-0.0 -0.938 19.6 171.5-114.6 138.3 19.3 16.4 -5.1 74 74 A G >> - 0 0 17 -2,-0.4 4,-1.7 5,-0.0 3,-0.9 -0.543 50.5 -61.4-129.3-165.2 16.6 15.0 -7.3 75 75 A L H 3> S+ 0 0 61 1,-0.3 4,-2.0 2,-0.2 3,-0.2 0.871 129.0 46.8 -52.5 -49.9 16.0 12.5 -10.2 76 76 A N H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.727 109.4 55.6 -71.4 -21.0 18.3 14.2 -12.8 77 77 A D H <4 S+ 0 0 104 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.866 116.9 35.1 -72.7 -38.8 21.1 14.6 -10.2 78 78 A Y H < S+ 0 0 9 -4,-1.7 38,-0.2 -3,-0.2 -2,-0.2 0.709 92.4 116.3 -86.9 -25.0 21.1 10.8 -9.4 79 79 A K < - 0 0 60 -4,-2.0 31,-0.1 -5,-0.2 -5,-0.0 -0.203 66.5-126.9 -55.8 127.2 20.3 9.6 -13.0 80 80 A D > - 0 0 19 29,-0.4 3,-1.8 1,-0.1 -1,-0.1 -0.512 29.4-114.5 -61.9 140.6 22.9 7.6 -14.8 81 81 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.755 116.0 50.0 -53.3 -26.5 23.6 9.2 -18.2 82 82 A E T 3 S+ 0 0 108 27,-0.1 2,-0.3 23,-0.1 27,-0.2 0.535 89.3 101.6 -90.3 -9.8 22.1 6.1 -20.0 83 83 A Y < + 0 0 3 -3,-1.8 2,-0.3 26,-0.2 23,-0.1 -0.614 39.2 164.8 -82.7 134.3 18.9 6.0 -17.9 84 84 A D > - 0 0 67 -2,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.910 30.8-148.4-147.7 120.0 15.7 7.3 -19.4 85 85 A L H > S+ 0 0 40 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.873 99.8 53.5 -55.9 -43.7 12.3 6.6 -17.9 86 86 A D H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 114.4 42.2 -55.9 -43.9 10.5 6.7 -21.3 87 87 A K H > S+ 0 0 126 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.840 112.0 53.4 -76.0 -35.8 12.9 4.2 -22.7 88 88 A Y H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.952 112.1 46.6 -58.4 -49.4 12.9 2.0 -19.6 89 89 A L H X S+ 0 0 33 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.906 114.6 46.6 -60.1 -44.1 9.1 1.9 -19.9 90 90 A K H < S+ 0 0 158 -4,-2.2 3,-0.5 -5,-0.2 -1,-0.2 0.894 111.4 52.6 -65.6 -41.4 9.3 1.1 -23.6 91 91 A A H < S+ 0 0 35 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.877 118.5 32.6 -61.6 -41.0 11.9 -1.6 -23.1 92 92 A Y H < S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.275 76.6 139.7-111.5 11.9 10.1 -3.6 -20.4 93 93 A D >X> - 0 0 57 -4,-0.7 4,-3.5 -3,-0.5 3,-2.3 -0.381 55.4-133.1 -55.3 119.7 6.4 -3.1 -21.4 94 94 A P H 3>5S+ 0 0 52 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.774 103.0 65.0 -46.8 -32.1 4.7 -6.5 -20.9 95 95 A S H 345S+ 0 0 103 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 0.721 122.9 14.4 -68.4 -22.8 3.1 -6.2 -24.4 96 96 A T H <45S+ 0 0 107 -3,-2.3 -1,-0.2 2,-0.1 -4,-0.1 0.643 134.0 42.3-118.5 -32.3 6.5 -6.3 -26.1 97 97 A W H ><5S- 0 0 47 -4,-3.5 3,-0.7 1,-0.2 -2,-0.1 0.702 90.3-156.3 -90.8 -23.6 8.9 -7.6 -23.5 98 98 A G T 3<< - 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