==== 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 1O8K . 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) . 13392.0 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 . 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 . 46 13.1 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 . 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 0 128 0, 0.0 13,-0.1 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 -45.6 18.8 42.2 -25.7 2 2 A T + 0 0 80 9,-0.1 8,-0.7 7,-0.1 2,-0.6 0.314 360.0 114.6-117.8 4.3 18.7 41.6 -21.9 3 3 A D B +A 9 0A 106 6,-0.2 6,-0.1 1,-0.1 4,-0.1 -0.693 27.2 164.5 -83.6 119.9 15.4 39.6 -21.8 4 4 A T - 0 0 6 4,-0.6 -1,-0.1 -2,-0.6 3,-0.1 0.417 58.0-108.6-112.3 -2.9 15.9 36.0 -20.6 5 5 A G S S+ 0 0 8 1,-0.3 2,-0.2 316,-0.2 4,-0.1 0.616 95.2 55.7 81.2 13.6 12.2 35.2 -19.8 6 6 A G S S- 0 0 4 2,-0.5 -2,-0.4 173,-0.1 -1,-0.3 -0.837 108.3 -62.9-155.5-169.1 13.2 35.2 -16.1 7 7 A Y S S+ 0 0 31 171,-0.5 2,-0.3 -2,-0.2 172,-0.2 0.764 102.6 86.4 -60.1 -31.2 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 -0.550 57.8-169.9 -74.2 134.6 18.2 37.4 -14.9 9 9 A A B +A 3 0A 50 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.2 -0.881 34.1 123.2-126.5 98.0 18.5 40.4 -17.2 10 10 A T - 0 0 3 -8,-0.7 3,-0.1 -2,-0.5 130,-0.0 -0.996 49.7-161.1-156.0 151.0 21.8 40.1 -19.2 11 11 A A > - 0 0 21 1,-0.3 3,-2.1 -2,-0.3 2,-0.2 0.274 40.9-154.8-110.5 2.3 23.2 40.0 -22.7 12 12 A G T 3 - 0 0 3 1,-0.3 -1,-0.3 128,-0.2 80,-0.3 -0.380 67.7 -13.5 62.3-126.2 26.4 38.5 -21.3 13 13 A G T 3 S+ 0 0 0 -2,-0.2 2,-2.1 77,-0.2 -1,-0.3 0.490 111.5 98.9 -86.5 -5.6 29.3 39.2 -23.6 14 14 A N < + 0 0 106 -3,-2.1 2,-0.2 77,-0.1 -1,-0.2 -0.429 64.4 102.4 -82.3 65.7 27.0 40.3 -26.5 15 15 A V S > S- 0 0 71 -2,-2.1 3,-1.1 75,-0.1 2,-0.3 -0.494 81.5 -48.0-127.8-166.3 27.5 44.0 -25.8 16 16 A T T 3 S+ 0 0 141 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.576 122.8 11.0 -73.3 131.0 29.4 47.0 -27.1 17 17 A G T 3 S+ 0 0 57 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.1 0.555 86.2 166.2 79.3 9.3 33.1 46.3 -27.7 18 18 A A < - 0 0 34 -3,-1.1 2,-0.5 32,-0.1 34,-0.2 -0.244 29.0-141.9 -59.1 143.2 32.8 42.6 -27.2 19 19 A V E -b 52 0B 49 32,-2.2 34,-2.0 -6,-0.1 2,-0.5 -0.959 11.1-143.2-111.8 120.8 35.8 40.5 -28.4 20 20 A S E +b 53 0B 92 -2,-0.5 2,-0.3 32,-0.2 34,-0.2 -0.739 23.8 176.4 -86.9 129.8 34.9 37.2 -30.1 21 21 A K E -b 54 0B 89 32,-2.5 34,-2.6 -2,-0.5 2,-0.5 -0.956 23.5-138.1-132.9 148.9 37.3 34.3 -29.4 22 22 A T E -b 55 0B 89 -2,-0.3 2,-0.5 32,-0.2 34,-0.2 -0.940 14.7-163.8-108.6 126.1 37.2 30.7 -30.4 23 23 A A E -b 56 0B 0 32,-2.6 34,-3.1 -2,-0.5 35,-0.7 -0.948 11.8-179.5-111.2 126.2 38.2 28.1 -27.8 24 24 A T S S+ 0 0 83 -2,-0.5 35,-0.3 33,-0.2 2,-0.3 0.434 70.6 17.4-102.0 -2.4 39.0 24.6 -29.1 25 25 A S S > S- 0 0 40 33,-0.1 4,-1.5 1,-0.1 5,-0.1 -0.956 84.5 -97.4-157.4 171.9 39.7 23.1 -25.7 26 26 A M H > S+ 0 0 33 -2,-0.3 4,-1.7 1,-0.2 3,-0.2 0.925 122.8 52.8 -61.4 -45.3 39.1 23.6 -22.0 27 27 A Q H > S+ 0 0 105 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.849 102.6 57.8 -60.7 -36.9 42.5 25.1 -21.6 28 28 A D H > S+ 0 0 49 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.914 105.1 51.9 -60.4 -41.0 41.8 27.6 -24.4 29 29 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.2 5,-0.2 0.915 109.9 48.2 -60.7 -44.3 38.9 28.9 -22.4 30 30 A V H X S+ 0 0 52 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.940 115.1 45.4 -61.0 -46.4 41.0 29.3 -19.4 31 31 A N H X S+ 0 0 87 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.872 111.1 52.1 -65.8 -41.4 43.7 31.2 -21.4 32 32 A I H X S+ 0 0 21 -4,-3.1 4,-1.5 2,-0.2 -1,-0.2 0.931 111.6 46.1 -62.2 -46.2 41.1 33.4 -23.2 33 33 A I H < S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.879 111.9 52.3 -64.6 -38.8 39.5 34.5 -20.0 34 34 A D H >< S+ 0 0 85 -4,-1.9 3,-1.3 -5,-0.2 -1,-0.2 0.905 109.3 48.4 -65.7 -40.1 42.9 35.2 -18.4 35 35 A A H >< S+ 0 0 47 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.805 100.4 68.0 -69.0 -28.2 44.0 37.3 -21.4 36 36 A A T 3< S+ 0 0 0 -4,-1.5 13,-3.0 1,-0.3 14,-1.1 0.424 89.5 65.9 -73.2 3.1 40.7 39.2 -21.2 37 37 A R T < S+ 0 0 42 -3,-1.3 8,-2.6 11,-0.3 2,-0.3 0.565 84.2 90.5 -99.2 -7.9 41.8 40.7 -17.9 38 38 A L B < -K 44 0C 60 -3,-1.5 6,-0.2 6,-0.2 11,-0.1 -0.693 64.4-144.3 -96.3 139.3 44.7 42.7 -19.3 39 39 A D > - 0 0 60 4,-3.0 3,-2.2 -2,-0.3 -1,-0.1 -0.162 44.1 -81.0 -85.1-176.2 44.5 46.3 -20.5 40 40 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.769 132.7 50.9 -58.7 -24.8 46.3 47.8 -23.5 41 41 A N T 3 S- 0 0 145 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.333 120.4-106.9 -94.7 3.8 49.4 48.2 -21.3 42 42 A G S < S+ 0 0 49 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.618 77.5 131.3 82.9 9.4 49.4 44.6 -20.1 43 43 A K - 0 0 151 1,-0.1 -4,-3.0 0, 0.0 -1,-0.3 -0.763 61.8-105.6 -96.5 146.7 48.1 45.5 -16.6 44 44 A K B -K 38 0C 139 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.399 26.3-149.5 -71.2 144.4 45.2 43.6 -15.0 45 45 A V > - 0 0 46 -8,-2.6 3,-2.4 -2,-0.1 2,-0.2 -0.967 23.8-114.0-117.3 124.9 41.8 45.2 -14.7 46 46 A K T 3 S+ 0 0 183 -2,-0.5 41,-0.1 1,-0.3 40,-0.1 -0.411 104.1 13.6 -59.5 122.3 39.5 44.3 -11.8 47 47 A G B 3 S-l 87 0D 7 39,-0.6 41,-1.6 -2,-0.2 42,-1.5 0.361 133.3 -62.8 92.1 -3.1 36.4 42.6 -13.2 48 48 A G < - 0 0 0 -3,-2.4 -11,-0.3 -11,-0.2 -14,-0.1 -0.126 42.1-111.7 105.9 153.9 38.0 42.0 -16.6 49 49 A A S S+ 0 0 28 -13,-3.0 -12,-0.2 1,-0.3 -1,-0.1 0.795 89.9 3.2 -92.3 -31.6 39.3 44.5 -19.3 50 50 A Y S S- 0 0 59 -14,-1.1 -1,-0.3 -11,-0.1 39,-0.2 -0.983 80.2 -89.8-153.5 157.5 36.7 43.8 -22.1 51 51 A P - 0 0 16 0, 0.0 -32,-2.2 0, 0.0 2,-0.4 -0.366 42.4-152.9 -67.9 152.1 33.5 41.7 -22.9 52 52 A L E -bc 19 91B 0 38,-1.9 40,-1.7 -34,-0.2 2,-0.5 -0.976 23.2-169.9-133.9 144.2 33.9 38.3 -24.3 53 53 A V E -bc 20 92B 14 -34,-2.0 -32,-2.5 -2,-0.4 2,-0.6 -0.950 21.2-167.9-129.3 99.8 32.0 35.9 -26.6 54 54 A I E -bc 21 93B 0 38,-2.8 40,-2.8 -2,-0.5 2,-0.7 -0.861 8.5-159.1 -95.2 122.4 33.7 32.6 -26.5 55 55 A T E -bc 22 94B 51 -34,-2.6 -32,-2.6 -2,-0.6 2,-0.6 -0.903 12.4-152.0-100.7 110.5 32.7 30.0 -29.0 56 56 A Y E +bc 23 95B 1 38,-2.8 40,-2.8 -2,-0.7 -32,-0.2 -0.781 24.2 168.1 -87.4 122.2 33.7 26.6 -27.8 57 57 A T + 0 0 59 -34,-3.1 -33,-0.2 -2,-0.6 -1,-0.1 0.427 34.9 121.3-111.9 -1.8 34.3 24.1 -30.6 58 58 A G - 0 0 6 -35,-0.7 42,-1.9 41,-0.1 2,-0.4 -0.131 45.8-154.6 -62.6 158.2 36.0 21.4 -28.6 59 59 A N + 0 0 81 -35,-0.3 3,-0.2 40,-0.3 42,-0.2 -0.976 19.6 172.4-138.0 121.9 34.6 17.8 -28.5 60 60 A E >> + 0 0 26 -2,-0.4 4,-2.1 40,-0.2 3,-0.6 -0.097 33.8 131.3-119.9 36.5 35.2 15.4 -25.6 61 61 A D H 3> + 0 0 50 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.851 69.3 60.2 -56.1 -37.7 32.9 12.6 -26.6 62 62 A S H 3> S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.897 107.5 44.4 -59.9 -39.7 35.6 10.0 -26.1 63 63 A L H <> S+ 0 0 78 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.906 115.4 49.8 -69.9 -39.8 35.9 11.0 -22.4 64 64 A I H X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.919 111.8 46.0 -64.9 -45.3 32.1 11.0 -22.2 65 65 A N H X S+ 0 0 101 -4,-3.3 4,-1.2 1,-0.2 -1,-0.2 0.836 112.1 51.2 -68.8 -34.5 31.6 7.6 -23.8 66 66 A A H < S+ 0 0 64 -4,-1.7 4,-0.4 -5,-0.3 -1,-0.2 0.901 112.1 47.0 -68.7 -39.8 34.3 6.0 -21.7 67 67 A A H >< S+ 0 0 4 -4,-2.0 3,-1.3 1,-0.2 6,-0.2 0.888 106.0 57.9 -68.9 -38.4 32.7 7.4 -18.5 68 68 A A H >< S+ 0 0 39 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.840 106.8 51.0 -58.8 -32.6 29.2 6.3 -19.6 69 69 A A T 3< S+ 0 0 88 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.577 119.9 33.1 -82.1 -13.2 30.7 2.7 -19.8 70 70 A N T X + 0 0 102 -3,-1.3 3,-2.0 -4,-0.4 4,-0.3 -0.453 69.7 167.1-142.9 63.6 32.2 2.9 -16.3 71 71 A I G X S+ 0 0 28 -3,-0.6 3,-1.3 1,-0.3 4,-0.4 0.834 73.8 54.1 -45.7 -45.4 29.9 5.0 -14.2 72 72 A a G 3 S+ 0 0 55 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.524 94.9 67.7 -76.4 -5.9 31.4 4.1 -10.9 73 73 A G G < S+ 0 0 19 -3,-2.0 -1,-0.2 -6,-0.2 4,-0.2 0.556 88.0 71.5 -88.9 -5.8 34.9 5.1 -11.8 74 74 A Q S X S+ 0 0 5 -3,-1.3 51,-2.4 -4,-0.3 3,-1.8 0.904 79.1 66.0 -76.7 -47.1 34.1 8.8 -12.0 75 75 A W T 3 S+ 0 0 62 -4,-0.4 52,-1.6 1,-0.3 53,-0.2 0.759 102.3 47.7 -50.0 -34.7 33.5 10.0 -8.5 76 76 A S T 3 S+ 0 0 66 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.475 91.8 95.4 -89.2 -5.5 37.1 9.5 -7.3 77 77 A K S < S- 0 0 108 -3,-1.8 50,-0.2 -4,-0.2 51,-0.2 -0.337 91.2 -82.2 -78.9 170.0 38.9 11.2 -10.2 78 78 A D - 0 0 129 1,-0.1 -1,-0.1 46,-0.1 48,-0.1 -0.446 49.4-114.5 -68.5 141.1 40.0 14.8 -10.1 79 79 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.434 27.3-148.8 -75.5 157.2 37.1 17.3 -10.9 80 80 A R + 0 0 70 44,-0.5 24,-2.8 51,-0.1 2,-0.3 -0.988 30.9 139.3-129.3 125.2 37.5 19.3 -14.1 81 81 A G E -m 104 0E 15 -2,-0.4 2,-0.5 22,-0.3 24,-0.2 -0.988 47.3-123.4-166.2 150.9 36.1 22.7 -14.6 82 82 A V E -m 105 0E 1 22,-2.6 24,-2.8 -2,-0.3 2,-0.5 -0.868 32.1-145.2 -94.8 125.4 36.6 26.2 -16.0 83 83 A E E -m 106 0E 92 -2,-0.5 2,-0.8 22,-0.2 24,-0.2 -0.803 12.0-165.8 -97.3 127.0 36.3 28.8 -13.2 84 84 A I E +m 107 0E 0 22,-3.0 24,-2.7 -2,-0.5 2,-0.5 -0.855 25.6 175.0-109.6 87.6 34.9 32.2 -14.1 85 85 A K E -m 108 0E 73 -2,-0.8 24,-0.2 1,-0.2 -38,-0.1 -0.870 56.9 -15.8-104.6 127.7 35.9 34.1 -11.1 86 86 A E S S+ 0 0 77 22,-2.3 2,-0.6 -2,-0.5 -39,-0.6 0.889 85.7 142.9 50.1 48.6 35.4 37.9 -10.5 87 87 A F B +l 47 0D 0 -3,-0.3 24,-1.4 21,-0.2 -1,-0.2 -0.949 10.1 155.8-121.0 111.2 34.7 38.7 -14.2 88 88 A T + 0 0 63 -41,-1.6 -40,-0.2 -2,-0.6 -1,-0.1 0.349 46.5 92.9-116.8 1.2 32.0 41.3 -14.5 89 89 A K S S- 0 0 80 -42,-1.5 -1,-0.1 -39,-0.2 -41,-0.1 0.730 104.5 -89.9 -68.9 -19.3 32.6 42.9 -18.0 90 90 A G - 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