==== 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 27-NOV-02 1O8F . 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) . 13319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 72.7 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 . 5 1.4 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 . 49 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.2 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 . 3 0.9 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 . 1 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 0 128 0, 0.0 9,-0.0 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0-117.3 18.2 42.9 -25.3 2 2 A T + 0 0 76 9,-0.1 2,-0.8 7,-0.1 8,-0.3 -0.123 360.0 133.8-126.7 32.3 18.5 41.6 -21.7 3 3 A D + 0 0 110 6,-0.2 6,-0.1 1,-0.1 5,-0.0 -0.764 15.9 157.6 -94.7 106.0 15.3 39.5 -21.9 4 4 A T - 0 0 5 -2,-0.8 -1,-0.1 4,-0.6 3,-0.1 0.425 60.1-111.5-105.0 -2.6 15.8 36.0 -20.6 5 5 A G S S+ 0 0 9 1,-0.3 2,-0.2 316,-0.2 315,-0.1 0.662 92.4 52.1 78.7 17.0 12.1 35.2 -19.8 6 6 A G S S- 0 0 6 2,-0.5 -2,-0.4 173,-0.1 -1,-0.3 -0.866 109.0 -57.5-160.9-168.6 12.9 35.2 -16.1 7 7 A Y S S+ 0 0 27 171,-0.4 2,-0.3 -2,-0.2 172,-0.1 0.772 103.4 83.7 -57.3 -33.0 14.5 37.1 -13.2 8 8 A A - 0 0 1 133,-0.2 -4,-0.6 198,-0.1 2,-0.6 -0.584 58.9-169.1 -76.8 130.8 18.0 37.4 -14.8 9 9 A A + 0 0 47 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.2 -0.878 33.6 124.5-122.7 97.8 18.4 40.3 -17.1 10 10 A T - 0 0 3 -2,-0.6 3,-0.1 -8,-0.3 130,-0.0 -0.996 49.4-160.5-153.3 154.9 21.6 40.0 -19.1 11 11 A A > - 0 0 24 -2,-0.3 3,-2.0 1,-0.3 2,-0.1 0.344 39.3-155.6-112.9 0.9 23.0 39.9 -22.5 12 12 A G T 3 - 0 0 3 1,-0.3 -1,-0.3 128,-0.1 80,-0.3 -0.349 68.6 -13.3 60.9-130.7 26.3 38.4 -21.3 13 13 A G T 3 S+ 0 0 0 39,-0.2 2,-2.0 77,-0.2 -1,-0.3 0.544 112.6 98.5 -80.1 -7.1 29.2 39.0 -23.6 14 14 A N < + 0 0 103 -3,-2.0 2,-0.2 77,-0.1 -1,-0.2 -0.512 61.6 103.1 -82.6 72.9 26.8 40.3 -26.4 15 15 A V S > S- 0 0 69 -2,-2.0 3,-1.3 75,-0.1 2,-0.2 -0.706 83.1 -56.0-136.7-177.1 27.3 44.0 -25.6 16 16 A T T 3 S+ 0 0 141 1,-0.2 -1,-0.0 -2,-0.2 -2,-0.0 -0.521 122.3 18.8 -71.2 133.9 29.3 46.9 -27.2 17 17 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.2 -2,-0.2 -3,-0.1 0.412 85.4 163.5 89.1 0.7 33.0 46.2 -27.5 18 18 A A < - 0 0 34 -3,-1.3 2,-0.6 32,-0.1 -1,-0.2 -0.149 30.4-142.4 -54.6 139.9 32.6 42.4 -27.2 19 19 A V E -a 52 0A 50 32,-2.3 34,-1.8 -6,-0.1 2,-0.5 -0.948 11.0-145.0-110.1 121.2 35.6 40.4 -28.3 20 20 A S E +a 53 0A 94 -2,-0.6 2,-0.3 32,-0.2 34,-0.2 -0.757 24.4 171.1 -89.5 126.5 34.8 37.2 -30.1 21 21 A K E -a 54 0A 92 32,-2.2 34,-2.3 -2,-0.5 2,-0.5 -0.970 27.7-133.9-136.2 147.9 37.1 34.2 -29.5 22 22 A T E -a 55 0A 89 -2,-0.3 2,-0.5 32,-0.2 34,-0.2 -0.907 15.8-161.3-102.5 123.8 37.0 30.6 -30.4 23 23 A A E -a 56 0A 0 32,-2.6 34,-3.1 -2,-0.5 35,-0.6 -0.916 11.1-179.6-105.0 126.4 37.9 28.0 -27.7 24 24 A T + 0 0 81 -2,-0.5 2,-0.3 32,-0.2 35,-0.3 0.471 68.7 18.2-103.8 -2.8 38.8 24.6 -29.0 25 25 A S S > S- 0 0 40 33,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.960 84.1 -98.8-156.6 169.7 39.4 23.1 -25.6 26 26 A M H > S+ 0 0 34 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.915 123.6 53.2 -60.2 -42.7 38.8 23.5 -21.9 27 27 A Q H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.847 102.8 56.8 -63.8 -34.6 42.3 25.0 -21.6 28 28 A D H > S+ 0 0 50 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.944 105.3 51.8 -60.8 -45.9 41.6 27.5 -24.4 29 29 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.920 110.7 48.6 -56.8 -42.4 38.6 28.8 -22.4 30 30 A V H X S+ 0 0 44 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.943 114.8 43.9 -63.5 -47.8 40.8 29.2 -19.3 31 31 A N H X S+ 0 0 79 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.865 110.9 54.7 -67.3 -37.1 43.5 31.1 -21.3 32 32 A I H X S+ 0 0 19 -4,-3.2 4,-1.6 -5,-0.2 -1,-0.2 0.943 109.5 46.6 -63.6 -43.9 41.0 33.2 -23.1 33 33 A I H < S+ 0 0 6 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.886 110.5 54.0 -65.1 -39.7 39.4 34.4 -19.9 34 34 A D H >< S+ 0 0 81 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.898 109.7 46.7 -59.8 -44.6 42.8 35.1 -18.4 35 35 A A H >< S+ 0 0 42 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.776 100.8 67.8 -69.8 -27.3 43.8 37.3 -21.3 36 36 A A T 3< S+ 0 0 0 -4,-1.6 13,-3.0 1,-0.3 14,-1.2 0.464 91.1 63.7 -73.0 -0.2 40.5 39.1 -21.1 37 37 A R T < S+ 0 0 37 -3,-1.2 8,-2.2 11,-0.3 2,-0.4 0.578 85.3 93.3 -96.4 -10.0 41.6 40.6 -17.8 38 38 A L B < -J 44 0B 71 -3,-1.5 6,-0.2 6,-0.2 11,-0.1 -0.699 62.8-149.0 -92.2 132.6 44.5 42.5 -19.3 39 39 A D > - 0 0 48 4,-3.0 3,-2.0 -2,-0.4 -1,-0.1 -0.109 46.2 -77.7 -82.5-174.3 44.3 46.1 -20.5 40 40 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.736 132.9 49.1 -60.2 -22.0 46.2 47.7 -23.4 41 41 A N T 3 S- 0 0 128 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.162 120.0-105.0-102.1 14.9 49.3 47.9 -21.2 42 42 A G S < S+ 0 0 50 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.680 78.5 134.5 72.2 13.7 49.2 44.3 -19.9 43 43 A K - 0 0 117 1,-0.0 -4,-3.0 0, 0.0 -1,-0.3 -0.765 59.6-108.0 -96.4 146.2 47.9 45.4 -16.5 44 44 A K B -J 38 0B 151 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.429 25.1-153.5 -73.1 144.5 45.0 43.6 -14.9 45 45 A V > - 0 0 53 -8,-2.2 3,-1.7 -2,-0.1 2,-0.4 -0.968 24.6-114.8-117.5 130.3 41.6 45.2 -14.6 46 46 A K T 3 S+ 0 0 190 -2,-0.4 41,-0.1 1,-0.2 40,-0.1 -0.536 102.2 16.9 -68.3 125.0 39.3 44.2 -11.8 47 47 A G B 3 S-k 87 0C 6 39,-0.6 42,-1.6 -2,-0.4 41,-1.2 0.288 132.9 -61.6 97.0 -4.3 36.2 42.5 -13.2 48 48 A G < - 0 0 1 -3,-1.7 -11,-0.3 -11,-0.2 -14,-0.1 -0.203 42.6-115.8 105.9 154.0 37.8 41.9 -16.6 49 49 A A S S+ 0 0 20 -13,-3.0 -12,-0.2 1,-0.3 -1,-0.1 0.730 90.5 11.0 -96.2 -30.2 39.1 44.3 -19.2 50 50 A Y S S- 0 0 55 -14,-1.2 -1,-0.3 -11,-0.1 39,-0.1 -0.996 81.7 -95.4-151.3 151.6 36.7 43.6 -22.0 51 51 A P - 0 0 15 0, 0.0 -32,-2.3 0, 0.0 2,-0.4 -0.320 42.8-149.9 -64.1 149.6 33.4 41.7 -22.7 52 52 A L E -ab 19 91A 0 38,-2.7 40,-1.8 -34,-0.2 2,-0.5 -0.949 25.8-173.2-131.7 146.9 33.7 38.2 -24.2 53 53 A V E -ab 20 92A 15 -34,-1.8 -32,-2.2 -2,-0.4 2,-0.5 -0.953 21.5-168.4-132.1 101.4 31.8 35.8 -26.4 54 54 A I E -ab 21 93A 0 38,-3.2 40,-2.9 -2,-0.5 2,-0.7 -0.875 8.7-159.2 -99.0 125.1 33.5 32.4 -26.3 55 55 A T E -ab 22 94A 49 -34,-2.3 -32,-2.6 -2,-0.5 2,-0.5 -0.918 11.7-151.6-104.1 108.5 32.5 29.8 -28.9 56 56 A Y E +ab 23 95A 1 38,-2.7 40,-2.8 -2,-0.7 -32,-0.2 -0.732 23.2 169.7 -82.0 124.1 33.5 26.4 -27.6 57 57 A T + 0 0 64 -34,-3.1 -33,-0.2 -2,-0.5 -1,-0.1 0.382 36.6 120.3-113.9 1.5 34.2 24.0 -30.5 58 58 A G - 0 0 8 -35,-0.6 42,-2.1 41,-0.1 2,-0.4 -0.156 46.7-153.7 -66.5 160.6 35.7 21.2 -28.5 59 59 A N + 0 0 83 -35,-0.3 3,-0.2 40,-0.3 42,-0.2 -0.966 19.5 172.5-140.1 120.2 34.4 17.7 -28.4 60 60 A E >> + 0 0 30 -2,-0.4 4,-2.4 1,-0.1 3,-0.9 -0.039 34.5 131.4-118.1 34.5 34.9 15.2 -25.5 61 61 A D H 3> S+ 0 0 51 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.817 70.9 59.3 -54.0 -36.2 32.6 12.5 -26.7 62 62 A S H 3> S+ 0 0 101 2,-0.2 4,-1.8 -3,-0.2 -1,-0.3 0.886 108.2 43.8 -61.6 -41.6 35.4 10.0 -26.0 63 63 A L H <> S+ 0 0 79 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.919 115.5 49.1 -69.8 -41.3 35.6 11.0 -22.4 64 64 A I H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.942 112.7 46.2 -64.3 -44.9 31.8 11.0 -22.1 65 65 A N H X S+ 0 0 100 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.862 112.7 49.8 -67.5 -37.2 31.4 7.6 -23.7 66 66 A A H < S+ 0 0 66 -4,-1.8 4,-0.4 -5,-0.3 -1,-0.2 0.913 112.9 47.5 -68.2 -39.7 34.1 6.0 -21.6 67 67 A A H >< S+ 0 0 3 -4,-2.3 3,-1.4 1,-0.2 6,-0.2 0.909 108.1 54.5 -67.0 -42.2 32.6 7.4 -18.5 68 68 A A H >< S+ 0 0 37 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.852 105.2 55.4 -59.7 -33.7 29.1 6.2 -19.4 69 69 A A T 3< S+ 0 0 91 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.564 123.4 23.7 -77.7 -9.6 30.4 2.7 -19.8 70 70 A N T X S+ 0 0 101 -3,-1.4 3,-1.7 -4,-0.4 -1,-0.3 -0.445 71.1 166.5-153.1 68.1 31.8 2.7 -16.3 71 71 A I G X S+ 0 0 29 -3,-0.6 3,-1.8 1,-0.3 4,-0.5 0.823 71.4 62.5 -59.0 -36.4 29.9 5.2 -14.2 72 72 A a G 3 S+ 0 0 56 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.536 93.8 66.1 -69.8 -4.2 31.1 4.1 -10.8 73 73 A G G < S+ 0 0 19 -3,-1.7 -1,-0.3 -6,-0.2 4,-0.2 0.529 88.6 70.5 -92.5 -5.0 34.6 5.0 -11.8 74 74 A Q S X S+ 0 0 4 -3,-1.8 51,-2.5 -4,-0.2 3,-1.5 0.883 80.2 65.6 -79.0 -43.5 33.8 8.7 -12.0 75 75 A W T 3 S+ 0 0 61 -4,-0.5 52,-1.3 1,-0.3 53,-0.2 0.811 101.3 49.7 -52.9 -38.9 33.2 9.9 -8.4 76 76 A S T 3 S+ 0 0 63 -4,-0.3 -1,-0.3 50,-0.1 -2,-0.1 0.562 91.8 96.7 -80.6 -8.5 36.8 9.3 -7.2 77 77 A K S < S- 0 0 106 -3,-1.5 50,-0.1 -4,-0.2 51,-0.1 -0.208 89.0 -85.0 -76.6 170.4 38.5 11.2 -10.1 78 78 A D - 0 0 130 1,-0.1 -1,-0.1 46,-0.1 2,-0.1 -0.522 50.4-112.8 -71.4 140.7 39.7 14.8 -10.0 79 79 A P - 0 0 41 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.437 28.0-149.4 -74.2 154.8 36.9 17.2 -10.9 80 80 A R + 0 0 69 44,-0.5 24,-2.6 22,-0.1 2,-0.3 -0.991 32.1 132.4-128.4 125.6 37.2 19.1 -14.1 81 81 A G E -l 104 0D 18 -2,-0.4 2,-0.5 22,-0.3 24,-0.2 -0.987 49.6-118.0-169.2 156.6 35.8 22.6 -14.7 82 82 A V E -l 105 0D 1 22,-2.6 24,-2.9 -2,-0.3 2,-0.5 -0.880 32.4-145.7 -99.3 129.9 36.4 26.1 -15.9 83 83 A E E -l 106 0D 89 -2,-0.5 2,-0.9 22,-0.2 24,-0.2 -0.845 11.1-164.2-104.4 124.5 36.1 28.7 -13.3 84 84 A I E +l 107 0D 0 22,-3.0 24,-2.7 -2,-0.5 2,-0.4 -0.818 25.3 176.7-106.0 87.8 34.6 32.2 -14.1 85 85 A K E -l 108 0D 63 -2,-0.9 24,-0.2 1,-0.2 -38,-0.1 -0.822 58.0 -17.8-100.7 129.0 35.8 34.0 -11.0 86 86 A E S S+ 0 0 76 22,-2.2 2,-0.6 -2,-0.4 -39,-0.6 0.888 85.2 144.8 44.9 51.8 35.2 37.8 -10.5 87 87 A F B +k 47 0C 0 -3,-0.3 24,-1.2 21,-0.3 3,-0.2 -0.924 9.8 157.7-121.8 103.0 34.5 38.5 -14.1 88 88 A T + 0 0 68 -41,-1.2 -40,-0.2 -2,-0.6 -1,-0.1 0.356 47.3 92.6-107.1 4.1 31.8 41.2 -14.3 89 89 A K S S- 0 0 89 -42,-1.6 -1,-0.1 -39,-0.1 -41,-0.1 0.640 102.6 -86.8 -76.0 -15.7 32.5 42.6 -17.8 90 90 A G - 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