==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-02 1O88 . COMPND 2 MOLECULE: PECTATE LYASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR S.R.HERRON,F.A.JURNAK . 352 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 114 32.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.0 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 3 7 8 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 1 1 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 0 131 0, 0.0 9,-0.1 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 111.7 18.1 42.6 -25.5 2 2 A T + 0 0 80 7,-0.1 8,-0.9 9,-0.1 2,-0.6 0.142 360.0 130.2-107.2 14.8 18.6 41.6 -21.8 3 3 A D B +A 9 0A 108 6,-0.2 6,-0.1 1,-0.2 5,-0.0 -0.620 19.5 159.1 -79.3 115.5 15.4 39.6 -21.9 4 4 A T - 0 0 6 -2,-0.6 -1,-0.2 4,-0.6 3,-0.1 0.469 58.2-112.6-112.1 -6.7 15.8 36.1 -20.5 5 5 A G S S+ 0 0 8 1,-0.3 2,-0.3 316,-0.2 4,-0.1 0.651 92.9 55.1 81.0 16.6 12.2 35.3 -19.7 6 6 A G S S- 0 0 5 2,-0.5 -2,-0.4 173,-0.1 -1,-0.3 -0.860 109.8 -60.3-157.8-168.2 13.1 35.3 -16.0 7 7 A Y S S+ 0 0 29 171,-0.5 2,-0.2 -2,-0.3 172,-0.2 0.805 102.5 87.1 -58.8 -34.9 14.7 37.2 -13.2 8 8 A A - 0 0 1 133,-0.2 -4,-0.6 198,-0.1 2,-0.5 -0.491 56.9-169.9 -70.9 131.3 18.1 37.5 -14.9 9 9 A A B +A 3 0A 49 -2,-0.2 2,-0.3 -6,-0.1 -6,-0.2 -0.916 35.3 123.9-123.1 98.7 18.4 40.5 -17.2 10 10 A T - 0 0 2 -8,-0.9 3,-0.1 -2,-0.5 130,-0.0 -0.992 49.5-163.1-157.8 147.5 21.6 40.2 -19.1 11 11 A A > - 0 0 24 1,-0.3 3,-1.8 -2,-0.3 2,-0.1 0.308 42.1-152.5-109.0 2.6 23.0 40.0 -22.6 12 12 A G T 3 - 0 0 2 1,-0.3 -1,-0.3 128,-0.1 80,-0.3 -0.387 66.2 -17.6 63.2-130.7 26.2 38.5 -21.3 13 13 A G T 3 S+ 0 0 0 39,-0.2 2,-2.3 1,-0.2 -1,-0.3 0.529 112.7 100.4 -85.2 -5.8 29.2 39.3 -23.5 14 14 A N < + 0 0 110 -3,-1.8 2,-0.2 77,-0.1 -1,-0.2 -0.359 63.4 102.9 -78.5 59.8 26.9 40.2 -26.4 15 15 A V S > S- 0 0 71 -2,-2.3 3,-1.3 75,-0.1 2,-0.2 -0.553 82.0 -52.0-124.7-169.3 27.3 43.9 -25.8 16 16 A T T 3 S+ 0 0 138 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.499 121.9 15.5 -73.2 132.1 29.1 46.9 -27.2 17 17 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.2 -2,-0.2 -3,-0.1 0.547 86.3 164.4 83.5 8.5 32.9 46.4 -27.7 18 18 A A < - 0 0 35 -3,-1.3 2,-0.5 32,-0.1 -1,-0.2 -0.279 31.2-141.0 -62.0 140.3 32.6 42.6 -27.2 19 19 A V E -b 52 0B 46 32,-2.5 34,-2.0 -6,-0.1 2,-0.5 -0.927 13.1-144.9-106.2 121.6 35.7 40.6 -28.4 20 20 A S E +b 53 0B 95 -2,-0.5 2,-0.3 32,-0.2 34,-0.2 -0.778 23.9 174.1 -91.1 130.0 34.8 37.4 -30.1 21 21 A K E -b 54 0B 91 32,-2.6 34,-2.6 -2,-0.5 2,-0.5 -0.977 25.7-136.4-136.1 148.7 37.1 34.4 -29.5 22 22 A T E -b 55 0B 90 -2,-0.3 2,-0.5 32,-0.2 34,-0.2 -0.904 15.1-164.0-107.8 125.0 37.1 30.7 -30.5 23 23 A A E -b 56 0B 0 32,-3.0 34,-3.1 -2,-0.5 35,-0.6 -0.950 10.4-177.9-109.1 123.9 38.0 28.1 -27.8 24 24 A T S S+ 0 0 85 -2,-0.5 35,-0.3 32,-0.2 2,-0.3 0.443 70.8 17.1 -98.9 -2.2 38.9 24.7 -29.1 25 25 A S S > S- 0 0 38 33,-0.1 4,-1.6 1,-0.1 5,-0.1 -0.961 84.0 -97.6-157.7 172.6 39.5 23.2 -25.7 26 26 A M H > S+ 0 0 32 -2,-0.3 4,-1.9 1,-0.2 3,-0.1 0.926 122.8 52.7 -61.7 -45.6 38.9 23.7 -22.0 27 27 A Q H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.841 103.5 57.8 -60.9 -35.0 42.4 25.2 -21.6 28 28 A D H > S+ 0 0 51 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.925 105.2 49.9 -61.6 -46.2 41.7 27.7 -24.4 29 29 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.920 111.1 50.1 -58.4 -43.6 38.7 29.0 -22.5 30 30 A V H X S+ 0 0 53 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.948 113.4 45.0 -60.1 -49.0 40.9 29.4 -19.4 31 31 A N H X S+ 0 0 85 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.863 111.2 53.2 -64.5 -39.0 43.5 31.2 -21.4 32 32 A I H X S+ 0 0 24 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.920 110.1 46.3 -62.9 -46.7 41.0 33.5 -23.2 33 33 A I H < S+ 0 0 6 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.909 112.1 52.0 -63.3 -40.6 39.4 34.7 -19.9 34 34 A D H >< S+ 0 0 86 -4,-1.9 3,-1.1 -5,-0.2 -1,-0.2 0.890 110.3 47.5 -64.4 -39.1 42.8 35.3 -18.4 35 35 A A H >< S+ 0 0 45 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.790 101.7 66.9 -71.9 -26.8 43.9 37.4 -21.3 36 36 A A T 3< S+ 0 0 0 -4,-1.6 13,-3.0 1,-0.3 14,-0.9 0.487 88.8 67.2 -73.2 -1.4 40.6 39.3 -21.1 37 37 A R T < S+ 0 0 45 -3,-1.1 8,-3.0 11,-0.3 2,-0.4 0.462 84.6 92.6 -95.5 -1.5 41.6 40.7 -17.8 38 38 A L B < -K 44 0C 64 -3,-1.4 6,-0.2 6,-0.2 11,-0.1 -0.777 62.6-146.3-101.4 138.2 44.4 42.8 -19.3 39 39 A D > - 0 0 58 4,-3.0 3,-2.2 -2,-0.4 -2,-0.1 -0.181 45.8 -79.8 -86.7-176.9 44.3 46.4 -20.5 40 40 A A T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.754 133.0 49.7 -57.3 -24.6 46.2 48.0 -23.5 41 41 A N T 3 S- 0 0 138 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.397 120.4-106.5 -95.9 2.3 49.3 48.2 -21.3 42 42 A G S < S+ 0 0 47 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.651 77.2 133.1 83.9 11.5 49.2 44.6 -20.1 43 43 A K - 0 0 144 1,-0.1 -4,-3.0 0, 0.0 -1,-0.3 -0.758 60.7-105.3 -95.8 146.9 47.9 45.6 -16.6 44 44 A K B -K 38 0C 156 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.441 25.6-151.5 -73.0 142.8 45.0 43.7 -15.0 45 45 A V > - 0 0 53 -8,-3.0 3,-1.9 -2,-0.1 2,-0.3 -0.959 22.6-118.6-115.8 125.1 41.6 45.3 -14.7 46 46 A K T 3 S+ 0 0 163 -2,-0.5 41,-0.1 1,-0.3 40,-0.1 -0.495 102.8 18.9 -64.2 126.9 39.3 44.3 -11.9 47 47 A G B 3 S-l 87 0D 4 39,-0.7 42,-1.7 -2,-0.3 41,-1.5 0.182 132.9 -68.6 96.2 -12.9 36.2 42.8 -13.3 48 48 A G < - 0 0 1 -3,-1.9 -11,-0.3 -11,-0.2 -14,-0.1 -0.288 41.5-108.5 109.8 160.2 37.9 42.1 -16.6 49 49 A A S S+ 0 0 27 -13,-3.0 -12,-0.2 1,-0.3 -1,-0.1 0.729 90.4 2.9 -95.9 -30.0 39.1 44.6 -19.3 50 50 A Y S S- 0 0 57 -14,-0.9 -1,-0.3 -3,-0.1 39,-0.2 -0.984 81.6 -87.9-154.9 158.6 36.5 44.0 -22.1 51 51 A P - 0 0 14 0, 0.0 -32,-2.5 0, 0.0 2,-0.4 -0.384 43.4-151.2 -69.4 150.8 33.4 41.9 -22.8 52 52 A L E -bc 19 91B 0 38,-2.1 40,-2.1 -34,-0.2 2,-0.5 -0.973 23.1-172.5-131.8 141.7 33.7 38.4 -24.3 53 53 A V E -bc 20 92B 14 -34,-2.0 -32,-2.6 -2,-0.4 2,-0.5 -0.980 20.9-168.5-127.0 108.8 31.8 36.1 -26.5 54 54 A I E -bc 21 93B 0 38,-3.4 40,-2.8 -2,-0.5 2,-0.6 -0.915 10.3-159.2-105.6 124.0 33.5 32.7 -26.5 55 55 A T E -bc 22 94B 51 -34,-2.6 -32,-3.0 -2,-0.5 2,-0.6 -0.910 12.4-152.1-101.4 116.8 32.5 30.0 -29.0 56 56 A Y E +bc 23 95B 1 38,-2.5 40,-2.8 -2,-0.6 -32,-0.2 -0.836 22.7 169.4 -92.2 118.4 33.6 26.6 -27.8 57 57 A T + 0 0 62 -34,-3.1 -33,-0.2 -2,-0.6 -1,-0.1 0.384 35.6 118.9-110.3 3.8 34.2 24.2 -30.6 58 58 A G - 0 0 8 -35,-0.6 42,-2.0 41,-0.1 2,-0.4 -0.215 47.5-152.2 -70.5 159.8 35.9 21.4 -28.7 59 59 A N + 0 0 82 -35,-0.3 3,-0.2 40,-0.3 42,-0.2 -0.984 19.5 173.1-136.5 121.8 34.5 17.9 -28.5 60 60 A E > + 0 0 29 -2,-0.4 4,-2.3 1,-0.1 3,-0.5 -0.073 35.1 130.1-118.1 34.9 35.1 15.5 -25.6 61 61 A D H > S+ 0 0 52 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.851 70.3 61.1 -54.8 -38.8 32.8 12.6 -26.7 62 62 A S H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 107.9 42.5 -54.8 -49.2 35.6 10.2 -26.1 63 63 A L H > S+ 0 0 82 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.931 116.3 49.2 -64.7 -42.2 35.8 11.1 -22.5 64 64 A I H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.920 111.7 47.7 -64.0 -43.6 32.0 11.1 -22.2 65 65 A N H X S+ 0 0 101 -4,-3.6 4,-1.0 1,-0.2 -1,-0.2 0.843 112.1 48.6 -67.8 -36.8 31.6 7.7 -23.9 66 66 A A H < S+ 0 0 66 -4,-1.9 4,-0.3 -5,-0.3 -1,-0.2 0.878 112.4 49.6 -69.5 -39.3 34.3 6.0 -21.8 67 67 A A H >< S+ 0 0 4 -4,-2.1 3,-1.0 1,-0.2 6,-0.2 0.854 106.6 55.1 -67.6 -36.7 32.8 7.5 -18.6 68 68 A A H >< S+ 0 0 42 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.809 105.9 53.6 -65.3 -31.0 29.3 6.3 -19.5 69 69 A A T 3< S+ 0 0 88 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.558 123.2 26.8 -81.0 -8.0 30.7 2.8 -19.9 70 70 A N T X + 0 0 100 -3,-1.0 3,-1.7 -4,-0.3 4,-0.3 -0.368 68.7 163.3-152.6 65.7 32.1 3.0 -16.4 71 71 A I G X S+ 0 0 30 -3,-0.5 3,-1.3 1,-0.3 4,-0.4 0.793 72.2 60.8 -59.7 -32.9 30.1 5.4 -14.2 72 72 A a G 3 S+ 0 0 55 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.586 95.5 63.7 -74.8 -6.8 31.4 4.2 -10.8 73 73 A G G < S+ 0 0 19 -3,-1.7 4,-0.3 -6,-0.2 -1,-0.2 0.594 89.2 71.9 -90.3 -8.2 34.9 5.2 -11.8 74 74 A Q S X S+ 0 0 5 -3,-1.3 51,-3.0 -4,-0.3 3,-1.2 0.856 80.3 65.4 -74.7 -42.4 34.1 8.9 -12.1 75 75 A W T 3 S+ 0 0 65 -4,-0.4 52,-1.4 1,-0.3 53,-0.2 0.808 101.4 48.9 -53.6 -38.6 33.6 10.0 -8.4 76 76 A S T 3 S+ 0 0 62 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.566 92.5 94.4 -80.6 -14.2 37.2 9.5 -7.3 77 77 A K S < S- 0 0 105 -3,-1.2 50,-0.2 -4,-0.3 51,-0.2 -0.272 91.4 -84.1 -74.2 168.7 38.8 11.3 -10.2 78 78 A D - 0 0 128 1,-0.1 -1,-0.1 46,-0.1 2,-0.1 -0.444 49.7-112.0 -69.6 143.5 39.9 14.9 -10.1 79 79 A P - 0 0 41 0, 0.0 2,-0.5 0, 0.0 46,-0.2 -0.458 28.6-146.2 -76.2 152.3 37.0 17.3 -10.9 80 80 A R + 0 0 73 44,-0.5 24,-2.8 -2,-0.1 2,-0.3 -0.987 33.7 135.1-121.9 126.5 37.4 19.2 -14.2 81 81 A G E -m 104 0E 18 -2,-0.5 2,-0.5 22,-0.3 24,-0.2 -0.992 48.4-122.6-169.2 156.5 36.1 22.7 -14.7 82 82 A V E -m 105 0E 1 22,-2.5 24,-3.0 -2,-0.3 2,-0.4 -0.894 31.4-147.6-101.8 125.6 36.6 26.2 -15.9 83 83 A E E -m 106 0E 106 -2,-0.5 2,-0.7 22,-0.2 24,-0.2 -0.804 11.1-165.0 -99.3 134.9 36.2 28.9 -13.3 84 84 A I E +m 107 0E 0 22,-3.1 24,-2.6 -2,-0.4 2,-0.4 -0.878 25.0 174.3-117.7 90.1 34.8 32.3 -14.1 85 85 A K E -m 108 0E 66 -2,-0.7 24,-0.2 22,-0.2 -38,-0.1 -0.891 57.6 -14.2-106.4 129.7 35.8 34.3 -11.0 86 86 A E S S+ 0 0 53 22,-2.3 -39,-0.7 -2,-0.4 2,-0.6 0.872 84.8 142.2 49.0 48.7 35.3 38.0 -10.5 87 87 A F B +l 47 0D 0 21,-0.2 24,-1.3 -3,-0.2 -39,-0.2 -0.952 11.3 158.2-120.4 107.9 34.6 38.8 -14.2 88 88 A T + 0 0 69 -41,-1.5 -40,-0.2 -2,-0.6 -1,-0.1 0.382 46.9 92.9-112.3 2.3 31.9 41.5 -14.5 89 89 A K S S- 0 0 106 -42,-1.7 -1,-0.1 -39,-0.2 -41,-0.1 0.752 103.4 -88.5 -69.9 -23.0 32.4 42.9 -18.0 90 90 A G - 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