==== 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 2O1D . 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) . 15451.0 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 . 13 3.3 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 . 51 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.5 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 1 2 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 0 106 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 151.4 16.9 11.3 32.8 2 2 A D >> - 0 0 77 1,-0.1 4,-1.6 4,-0.0 3,-0.9 -0.221 360.0 -92.5 -74.8 175.0 16.2 13.0 29.4 3 3 A L T 34 S+ 0 0 18 1,-0.2 -1,-0.1 2,-0.2 131,-0.0 0.832 124.8 59.2 -58.6 -33.5 15.4 11.0 26.3 4 4 A G T 34 S+ 0 0 0 1,-0.2 -1,-0.2 51,-0.1 20,-0.2 0.810 115.1 33.2 -64.0 -30.8 19.1 11.1 25.3 5 5 A H T <4 S+ 0 0 74 -3,-0.9 -2,-0.2 21,-0.1 -1,-0.2 0.557 92.0 109.3-108.8 -12.0 20.2 9.3 28.4 6 6 A Q < - 0 0 67 -4,-1.6 2,-0.3 1,-0.0 19,-0.1 -0.324 53.4-150.6 -64.4 147.3 17.2 7.0 29.1 7 7 A T - 0 0 65 17,-0.1 2,-0.3 16,-0.1 15,-0.2 -0.746 30.5 -86.4-112.8 162.2 17.6 3.3 28.6 8 8 A L - 0 0 10 13,-2.5 13,-0.3 -2,-0.3 5,-0.0 -0.573 56.5-101.2 -65.5 130.0 15.0 0.6 27.7 9 9 A G > - 0 0 31 -2,-0.3 3,-1.8 1,-0.1 12,-0.1 -0.159 27.6-116.1 -53.4 145.3 13.2 -0.7 30.8 10 10 A S T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.642 115.8 35.1 -63.8 -15.3 14.5 -4.0 32.1 11 11 A N T 3 S+ 0 0 78 364,-0.1 2,-1.8 1,-0.1 -1,-0.3 0.314 85.9 116.4-113.6 3.0 11.1 -5.6 31.3 12 12 A D S < S- 0 0 24 -3,-1.8 3,-0.3 364,-0.2 364,-0.2 -0.491 81.8 -70.2 -89.1 77.1 10.2 -3.7 28.2 13 13 A G S > S- 0 0 0 -2,-1.8 3,-2.2 1,-0.2 4,-0.2 0.033 79.7 -41.4 76.2-179.2 10.0 -6.3 25.4 14 14 A W G > S+ 0 0 30 221,-0.5 3,-1.7 1,-0.3 222,-0.2 0.720 125.6 71.6 -55.8 -28.8 12.5 -8.4 23.6 15 15 A G G 3 S+ 0 0 0 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.722 91.4 60.3 -58.6 -23.6 14.9 -5.4 23.4 16 16 A A G < S+ 0 0 13 -3,-2.2 -1,-0.3 4,-0.2 -2,-0.2 0.508 80.3 121.9 -83.5 -5.9 15.5 -5.9 27.2 17 17 A Y S X S- 0 0 106 -3,-1.7 3,-2.7 -4,-0.2 2,-0.1 -0.236 80.7 -29.9 -60.7 146.9 16.8 -9.5 26.7 18 18 A S T 3 S+ 0 0 79 1,-0.3 -3,-0.0 2,-0.0 216,-0.0 -0.212 142.3 10.5 48.7-112.4 20.3 -10.4 28.0 19 19 A T T 3 S- 0 0 107 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.663 103.3-153.8 -71.4 -14.3 22.6 -7.3 27.8 20 20 A G < - 0 0 11 -3,-2.7 2,-0.6 -6,-0.1 -4,-0.2 -0.098 24.8 -63.6 71.6-172.4 19.5 -5.1 27.1 21 21 A T + 0 0 3 -13,-0.3 -13,-2.5 1,-0.1 -1,-0.1 -0.925 60.2 144.2-121.7 104.9 19.3 -1.8 25.3 22 22 A T > - 0 0 38 -2,-0.6 3,-2.2 -15,-0.2 -1,-0.1 0.482 31.5-172.7-113.0 -10.4 21.1 1.1 26.8 23 23 A G T 3 - 0 0 3 1,-0.2 3,-0.3 170,-0.2 107,-0.2 -0.249 66.3 -26.2 50.0-126.9 22.2 2.7 23.5 24 24 A G T > S+ 0 0 0 30,-0.2 3,-2.6 -20,-0.2 -1,-0.2 0.134 94.3 125.0-104.0 20.5 24.6 5.5 24.2 25 25 A S T < S+ 0 0 21 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.765 73.9 55.2 -48.7 -31.4 23.3 6.4 27.7 26 26 A K T 3 S+ 0 0 155 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.253 80.1 145.8 -90.0 11.6 26.9 6.0 29.1 27 27 A A < - 0 0 18 -3,-2.6 27,-0.2 4,-0.1 2,-0.1 -0.206 45.8-131.8 -53.7 130.7 28.4 8.6 26.6 28 28 A S > - 0 0 63 25,-0.5 3,-2.0 1,-0.1 -1,-0.1 -0.359 37.4 -92.0 -72.6 167.2 31.2 10.7 27.8 29 29 A S G > S+ 0 0 116 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.772 123.6 52.9 -59.6 -35.4 31.0 14.5 27.1 30 30 A S G 3 S+ 0 0 87 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.443 103.6 61.4 -82.0 1.6 32.8 14.6 23.7 31 31 A N G < S+ 0 0 21 -3,-2.0 24,-2.2 -7,-0.1 2,-0.5 0.088 81.0 94.4-114.4 19.7 30.5 11.8 22.4 32 32 A V E < -a 55 0A 52 -3,-1.0 2,-0.3 22,-0.2 24,-0.2 -0.970 57.2-178.0-110.1 122.7 27.3 13.8 22.8 33 33 A Y E -a 56 0A 68 22,-3.1 24,-2.8 -2,-0.5 2,-0.4 -0.866 25.7-154.3-122.8 152.5 26.3 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 -1.000 24.7-172.5-122.4 124.1 23.5 18.0 18.5 35 35 A V E +a 58 0A 3 22,-3.2 24,-2.9 -2,-0.4 3,-0.1 -0.945 24.6 168.6-126.2 140.2 22.9 17.7 14.7 36 36 A S + 0 0 51 -2,-0.4 2,-0.3 22,-0.2 25,-0.1 0.329 67.9 31.5-133.6 3.1 20.8 19.8 12.4 37 37 A N S > S- 0 0 33 25,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.939 86.7 -95.6-151.6 173.9 21.8 18.7 8.9 38 38 A R H > S+ 0 0 20 25,-0.4 4,-3.0 -2,-0.3 5,-0.3 0.903 119.9 54.2 -60.9 -44.4 23.1 15.7 7.0 39 39 A N H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 112.0 43.9 -55.2 -46.3 26.8 16.8 7.3 40 40 A Q H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.884 114.2 49.9 -68.3 -40.3 26.5 17.0 11.1 41 41 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.943 112.3 46.7 -62.7 -50.1 24.6 13.7 11.4 42 42 A V H X S+ 0 0 54 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.902 112.9 50.1 -58.8 -44.7 27.1 11.8 9.2 43 43 A S H < S+ 0 0 95 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.916 111.9 47.9 -58.9 -45.0 30.1 13.3 11.2 44 44 A A H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.913 113.6 46.3 -64.0 -45.4 28.5 12.4 14.5 45 45 A L H < S+ 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.897 86.4 172.3 -64.6 -41.8 27.7 8.8 13.4 46 46 A G < - 0 0 40 -4,-2.3 78,-0.2 -5,-0.2 -1,-0.1 -0.290 42.3 -39.8 62.2-148.6 31.2 8.3 11.9 47 47 A K > - 0 0 174 -4,-0.1 3,-2.1 78,-0.1 0, 0.0 -0.331 66.1 -85.3-104.2-177.1 32.0 4.8 10.8 48 48 A E T 3 S+ 0 0 132 1,-0.3 79,-0.4 -2,-0.1 -2,-0.0 0.746 124.9 65.2 -61.7 -24.9 31.4 1.2 12.2 49 49 A T T 3 S+ 0 0 124 1,-0.2 2,-1.9 77,-0.1 -1,-0.3 0.513 74.3 96.2 -74.2 -8.8 34.5 1.6 14.3 50 50 A N < + 0 0 29 -3,-2.1 -1,-0.2 1,-0.2 4,-0.1 -0.541 44.8 143.5 -81.8 73.5 32.7 4.5 16.2 51 51 A T + 0 0 75 -2,-1.9 -1,-0.2 75,-0.1 3,-0.1 0.447 23.6 115.1-101.0 -3.2 31.6 2.1 19.0 52 52 A T S S- 0 0 63 -3,-0.2 -25,-0.1 1,-0.1 -28,-0.0 -0.410 85.6 -88.1 -59.3 142.5 31.9 4.4 22.1 53 53 A P + 0 0 40 0, 0.0 -25,-0.5 0, 0.0 2,-0.3 -0.329 61.5 179.5 -47.7 127.6 28.6 5.1 23.7 54 54 A K E - b 0 129A 0 74,-2.1 76,-2.5 -27,-0.2 2,-0.4 -0.990 24.3-153.1-140.3 147.5 27.3 8.2 21.9 55 55 A I E -ab 32 130A 0 -24,-2.2 -22,-3.1 -2,-0.3 2,-0.5 -0.977 10.5-168.8-120.8 132.0 24.2 10.4 22.1 56 56 A I E -ab 33 131A 0 74,-2.9 76,-2.8 -2,-0.4 2,-0.5 -0.976 4.4-162.0-124.6 118.6 22.9 12.3 19.1 57 57 A Y E -ab 34 132A 29 -24,-2.8 -22,-3.2 -2,-0.5 2,-0.6 -0.870 12.2-146.5 -96.3 125.9 20.2 15.0 19.4 58 58 A I E -ab 35 133A 0 74,-3.0 76,-2.9 -2,-0.5 2,-0.6 -0.853 10.6-161.3 -94.2 123.6 18.4 15.9 16.2 59 59 A K - 0 0 136 -24,-2.9 76,-0.1 -2,-0.6 79,-0.1 -0.929 53.1 -40.5-109.3 114.1 17.4 19.5 16.0 60 60 A G S S- 0 0 19 -2,-0.6 79,-2.5 74,-0.5 2,-0.5 -0.338 106.2 -10.6 71.3-148.0 14.7 20.3 13.4 61 61 A T E -j 139 0B 76 77,-0.2 2,-0.7 -25,-0.1 79,-0.2 -0.767 50.5-167.0 -98.8 122.0 14.6 18.8 9.9 62 62 A I E -j 140 0B 1 77,-3.2 79,-2.9 -2,-0.5 2,-0.6 -0.913 7.6-162.5-106.8 105.2 17.4 16.8 8.4 63 63 A D E -j 141 0B 59 -2,-0.7 -25,-0.4 77,-0.2 79,-0.2 -0.782 3.1-166.2 -85.5 123.6 16.9 16.3 4.7 64 64 A M S S+ 0 0 0 77,-3.0 2,-1.6 -2,-0.6 78,-0.2 0.645 72.3 81.6 -88.9 -16.4 19.1 13.4 3.5 65 65 A N S S+ 0 0 6 76,-0.5 8,-2.8 56,-0.1 2,-0.3 -0.452 74.2 109.1 -85.9 63.6 18.8 14.1 -0.2 66 66 A V B -S 72 0C 7 -2,-1.6 2,-0.0 6,-0.3 0, 0.0 -0.961 63.6-123.7-138.5 152.7 21.5 16.9 -0.1 67 67 A D > - 0 0 41 4,-2.3 3,-2.2 -2,-0.3 -28,-0.2 -0.132 51.2 -78.8 -82.7-173.7 25.1 17.3 -1.4 68 68 A D T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -29,-0.0 0.667 134.9 49.9 -65.6 -17.0 28.1 18.2 0.7 69 69 A N T 3 S- 0 0 130 2,-0.1 -1,-0.3 -30,-0.0 -2,-0.0 0.154 121.5-108.3-102.6 15.4 27.0 21.8 0.7 70 70 A L < + 0 0 68 -3,-2.2 -2,-0.1 1,-0.2 -7,-0.1 0.648 67.9 151.3 68.2 18.2 23.5 20.9 1.8 71 71 A K - 0 0 134 1,-0.1 -4,-2.3 0, 0.0 -1,-0.2 -0.693 54.0-103.9 -79.7 128.9 22.1 21.7 -1.7 72 72 A P B -S 66 0C 102 0, 0.0 2,-0.4 0, 0.0 -6,-0.3 -0.199 34.8-150.2 -54.6 141.2 19.0 19.5 -2.4 73 73 A L + 0 0 29 -8,-2.8 2,-0.2 -6,-0.1 -8,-0.0 -0.941 17.0 178.3-118.4 139.7 19.5 16.6 -4.9 74 74 A G >> - 0 0 19 -2,-0.4 4,-1.5 5,-0.0 3,-0.9 -0.567 48.8 -68.1-126.2-170.0 16.9 15.2 -7.2 75 75 A L H >> S+ 0 0 56 1,-0.3 4,-2.5 2,-0.2 3,-0.5 0.886 127.9 51.0 -48.3 -51.6 16.5 12.5 -9.9 76 76 A N H 34 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.757 107.6 53.8 -65.5 -25.5 18.7 14.3 -12.4 77 77 A D H <4 S+ 0 0 104 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.844 117.2 36.7 -71.9 -34.9 21.6 14.6 -9.9 78 78 A Y H << S+ 0 0 9 -4,-1.5 -2,-0.2 -3,-0.5 38,-0.2 0.758 91.3 115.6 -88.1 -29.5 21.5 10.9 -9.1 79 79 A K < - 0 0 60 -4,-2.5 31,-0.1 -5,-0.2 -5,-0.0 -0.153 66.3-126.5 -54.1 125.1 20.8 9.6 -12.7 80 80 A D > - 0 0 18 29,-0.4 3,-1.8 1,-0.1 -1,-0.1 -0.465 30.2-113.6 -57.2 139.6 23.4 7.5 -14.4 81 81 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.786 117.5 49.9 -50.1 -29.4 24.2 9.1 -17.9 82 82 A E T 3 S+ 0 0 111 27,-0.1 2,-0.3 23,-0.1 27,-0.2 0.561 89.8 100.4 -88.5 -11.5 22.7 6.1 -19.5 83 83 A Y < + 0 0 2 -3,-1.8 2,-0.3 26,-0.3 23,-0.1 -0.583 39.4 165.0 -80.4 137.9 19.4 6.0 -17.5 84 84 A D > - 0 0 65 -2,-0.3 4,-2.7 1,-0.1 3,-0.2 -0.904 31.8-146.2-151.0 121.4 16.2 7.4 -18.9 85 85 A L H > S+ 0 0 44 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.884 101.5 51.7 -55.7 -44.6 12.7 6.7 -17.5 86 86 A D H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 114.4 43.4 -56.2 -44.5 11.0 6.7 -20.9 87 87 A K H > S+ 0 0 126 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.824 111.8 53.3 -75.7 -32.2 13.5 4.2 -22.2 88 88 A Y H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.946 111.6 46.5 -61.2 -49.5 13.3 2.1 -19.1 89 89 A L H X S+ 0 0 33 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.881 114.6 46.6 -61.3 -41.0 9.5 1.9 -19.4 90 90 A K H < S+ 0 0 134 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.2 0.863 110.7 53.4 -70.7 -37.6 9.8 1.0 -23.1 91 91 A A H < S+ 0 0 31 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.909 118.9 31.8 -60.3 -44.0 12.5 -1.6 -22.6 92 92 A Y H < S+ 0 0 4 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.256 76.3 139.0-112.0 10.7 10.5 -3.6 -19.9 93 93 A D >X> - 0 0 59 -4,-0.7 4,-3.5 -3,-0.3 3,-1.9 -0.401 56.4-133.0 -53.6 121.3 6.9 -3.1 -21.0 94 94 A P H 3>5S+ 0 0 48 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.804 103.6 67.0 -47.6 -34.4 5.2 -6.6 -20.4 95 95 A S H 345S+ 0 0 103 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 0.772 121.6 12.7 -58.6 -32.8 3.7 -6.1 -23.9 96 96 A T H <45S+ 0 0 104 -3,-1.9 -1,-0.2 2,-0.1 -4,-0.1 0.679 134.4 43.1-115.7 -31.4 7.1 -6.3 -25.7 97 97 A W H ><5S- 0 0 48 -4,-3.5 3,-0.6 1,-0.2 2,-0.2 0.715 90.0-156.3 -90.9 -24.1 9.5 -7.6 -23.0 98 98 A G T 3<< - 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