==== 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 1O8G . 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) . 13351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 73.0 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 . 48 13.6 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 . 22 6.2 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 0 127 0, 0.0 13,-0.1 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 155.2 18.3 42.6 -25.4 2 2 A T + 0 0 82 7,-0.1 2,-0.6 9,-0.1 8,-0.6 0.155 360.0 124.7-108.3 17.6 18.6 41.6 -21.7 3 3 A D B +A 9 0A 105 6,-0.2 6,-0.1 1,-0.1 4,-0.1 -0.693 21.6 160.4 -86.7 119.2 15.4 39.6 -21.7 4 4 A T - 0 0 6 -2,-0.6 -1,-0.1 4,-0.6 3,-0.1 0.444 59.9-109.4-112.8 -5.8 15.8 36.0 -20.6 5 5 A G S S+ 0 0 8 1,-0.4 2,-0.3 316,-0.2 4,-0.1 0.674 94.8 56.8 81.1 18.9 12.1 35.2 -19.7 6 6 A G S S- 0 0 5 2,-0.5 -2,-0.4 173,-0.1 -1,-0.4 -0.884 107.9 -63.7-159.9-171.5 13.1 35.2 -16.1 7 7 A Y S S+ 0 0 33 171,-0.4 2,-0.2 -2,-0.3 172,-0.2 0.794 103.7 83.7 -57.5 -37.0 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 -0.536 59.4-170.4 -71.9 132.1 18.1 37.4 -14.8 9 9 A A B +A 3 0A 45 -2,-0.2 2,-0.3 -6,-0.1 -6,-0.2 -0.922 30.6 129.9-125.2 101.5 18.4 40.3 -17.2 10 10 A T - 0 0 2 -8,-0.6 3,-0.1 -2,-0.5 -2,-0.0 -0.993 49.1-161.3-155.3 147.5 21.6 40.1 -19.2 11 11 A A > - 0 0 19 1,-0.3 3,-1.9 -2,-0.3 2,-0.2 0.416 41.3-156.4-102.3 -4.4 23.0 40.2 -22.7 12 12 A G T 3 - 0 0 3 1,-0.3 -1,-0.3 128,-0.1 80,-0.2 -0.448 67.1 -14.3 66.2-128.2 26.2 38.5 -21.4 13 13 A G T 3 S+ 0 0 0 -2,-0.2 2,-1.9 77,-0.2 -1,-0.3 0.505 113.1 99.2 -85.2 -5.1 29.2 39.2 -23.6 14 14 A N < + 0 0 107 -3,-1.9 2,-0.2 77,-0.1 -1,-0.2 -0.447 62.0 103.5 -82.9 66.3 26.9 40.5 -26.4 15 15 A V S > S- 0 0 70 -2,-1.9 3,-1.5 75,-0.1 2,-0.2 -0.647 82.3 -50.5-130.3-174.8 27.4 44.1 -25.7 16 16 A T T 3 S+ 0 0 142 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.446 123.2 12.4 -64.8 126.5 29.3 47.1 -27.1 17 17 A G T 3 S+ 0 0 57 1,-0.2 -1,-0.2 -2,-0.2 -3,-0.1 0.572 84.2 165.8 83.8 11.0 33.0 46.3 -27.7 18 18 A A < - 0 0 35 -3,-1.5 2,-0.5 32,-0.1 34,-0.2 -0.300 29.4-141.6 -61.2 139.9 32.7 42.6 -27.2 19 19 A V E -b 52 0B 49 32,-2.7 34,-1.8 -6,-0.0 2,-0.4 -0.933 13.1-142.2-107.1 123.5 35.7 40.6 -28.4 20 20 A S E +b 53 0B 94 -2,-0.5 2,-0.3 32,-0.2 34,-0.2 -0.747 24.1 176.8 -88.7 133.5 34.8 37.3 -30.1 21 21 A K E -b 54 0B 90 32,-2.6 34,-2.8 -2,-0.4 2,-0.5 -0.979 24.7-137.8-137.7 148.8 37.1 34.3 -29.5 22 22 A T E -b 55 0B 90 -2,-0.3 2,-0.5 32,-0.2 34,-0.2 -0.911 15.7-165.4-108.1 121.7 37.1 30.7 -30.5 23 23 A A E -b 56 0B 0 32,-2.8 34,-3.2 -2,-0.5 35,-0.5 -0.925 10.3-178.9-106.5 129.2 38.1 28.1 -27.8 24 24 A T + 0 0 84 -2,-0.5 35,-0.3 32,-0.2 2,-0.3 0.408 69.9 17.1-106.5 1.1 38.9 24.6 -29.1 25 25 A S S > S- 0 0 40 33,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.959 84.0 -98.0-159.5 171.4 39.5 23.1 -25.7 26 26 A M H > S+ 0 0 32 -2,-0.3 4,-2.0 1,-0.2 3,-0.4 0.947 123.0 53.8 -60.6 -49.2 39.0 23.6 -22.0 27 27 A Q H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.820 103.6 57.0 -56.9 -33.3 42.4 25.1 -21.6 28 28 A D H > S+ 0 0 51 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.919 104.8 50.6 -64.6 -44.3 41.6 27.6 -24.4 29 29 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 -3,-0.4 5,-0.2 0.915 111.3 50.5 -59.2 -40.7 38.6 28.9 -22.5 30 30 A V H X S+ 0 0 53 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.945 113.5 42.6 -63.4 -49.2 40.9 29.3 -19.5 31 31 A N H X S+ 0 0 88 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.893 112.5 54.9 -66.2 -38.2 43.6 31.2 -21.4 32 32 A I H X S+ 0 0 23 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.933 109.8 44.7 -60.5 -49.5 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 0.886 111.8 54.8 -62.8 -37.4 39.4 34.6 -20.0 34 34 A D H >< S+ 0 0 84 -4,-1.8 3,-1.1 -5,-0.2 -1,-0.2 0.892 108.5 46.9 -64.2 -40.0 42.8 35.2 -18.5 35 35 A A H >< S+ 0 0 45 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.800 100.0 69.3 -71.0 -29.1 43.9 37.4 -21.4 36 36 A A T 3< S+ 0 0 0 -4,-1.7 13,-3.3 1,-0.3 14,-1.1 0.472 89.3 65.3 -69.8 -1.4 40.6 39.3 -21.2 37 37 A R T < S+ 0 0 42 -3,-1.1 8,-3.0 11,-0.3 2,-0.4 0.560 84.4 92.6 -95.8 -8.3 41.7 40.7 -17.9 38 38 A L B < -K 44 0C 63 -3,-1.7 6,-0.2 6,-0.2 11,-0.1 -0.692 63.6-144.8 -95.3 137.0 44.6 42.7 -19.4 39 39 A D > - 0 0 60 4,-3.0 3,-2.2 -2,-0.4 -1,-0.1 -0.126 44.5 -80.6 -84.1-177.0 44.4 46.4 -20.6 40 40 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.674 133.0 49.0 -60.3 -16.4 46.2 47.9 -23.5 41 41 A N T 3 S- 0 0 138 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.332 120.6-105.0-104.5 4.6 49.3 48.2 -21.4 42 42 A G S < S+ 0 0 50 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.573 78.0 131.4 84.5 7.6 49.3 44.6 -20.1 43 43 A K - 0 0 144 1,-0.1 -4,-3.0 -5,-0.0 -1,-0.3 -0.744 61.9-105.8 -95.2 144.0 48.0 45.5 -16.6 44 44 A K B -K 38 0C 145 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.405 25.7-150.4 -70.4 142.3 45.1 43.6 -15.0 45 45 A V > - 0 0 52 -8,-3.0 3,-2.0 -2,-0.1 2,-0.3 -0.960 23.8-115.4-114.6 125.2 41.7 45.3 -14.8 46 46 A K T 3 S+ 0 0 158 -2,-0.5 41,-0.1 1,-0.3 40,-0.1 -0.456 102.5 14.8 -64.0 120.6 39.4 44.3 -11.9 47 47 A G B 3 S-l 87 0D 3 39,-0.6 42,-1.6 -2,-0.3 41,-1.5 0.233 133.2 -63.4 98.8 -8.7 36.3 42.6 -13.3 48 48 A G < - 0 0 1 -3,-2.0 -11,-0.3 -11,-0.2 -12,-0.1 -0.256 41.7-111.9 110.5 156.6 37.9 42.1 -16.7 49 49 A A S S+ 0 0 26 -13,-3.3 -12,-0.2 1,-0.3 -1,-0.1 0.756 90.2 3.3 -94.2 -31.0 39.2 44.5 -19.4 50 50 A Y S S- 0 0 55 -14,-1.1 -1,-0.3 -11,-0.0 39,-0.2 -0.989 80.7 -89.5-154.3 157.6 36.6 43.8 -22.1 51 51 A P - 0 0 12 0, 0.0 -32,-2.7 0, 0.0 2,-0.4 -0.349 42.2-152.0 -68.5 151.8 33.4 41.7 -22.9 52 52 A L E -bc 19 91B 0 38,-2.0 40,-2.0 -34,-0.2 2,-0.5 -0.965 23.7-171.3-132.5 145.1 33.8 38.3 -24.3 53 53 A V E -bc 20 92B 17 -34,-1.8 -32,-2.6 -2,-0.4 2,-0.6 -0.952 21.5-168.7-130.7 99.2 31.8 35.9 -26.6 54 54 A I E -bc 21 93B 0 38,-3.0 40,-2.7 -2,-0.5 2,-0.7 -0.872 8.6-158.6 -95.8 122.1 33.6 32.6 -26.5 55 55 A T E -bc 22 94B 49 -34,-2.8 -32,-2.8 -2,-0.6 2,-0.6 -0.915 12.1-151.9-100.1 114.7 32.5 30.0 -29.0 56 56 A Y E +bc 23 95B 1 38,-2.7 40,-2.7 -2,-0.7 -32,-0.2 -0.819 23.9 168.8 -90.2 122.2 33.6 26.6 -27.8 57 57 A T + 0 0 60 -34,-3.2 -33,-0.2 -2,-0.6 -1,-0.1 0.352 35.1 121.2-114.6 5.5 34.2 24.2 -30.6 58 58 A G - 0 0 6 -35,-0.5 42,-1.8 41,-0.1 2,-0.4 -0.153 45.9-153.5 -67.0 163.9 35.9 21.4 -28.6 59 59 A N + 0 0 82 -35,-0.3 3,-0.2 40,-0.3 42,-0.2 -0.944 19.6 173.1-143.8 119.1 34.5 17.9 -28.5 60 60 A E >> + 0 0 29 -2,-0.4 4,-2.4 40,-0.2 3,-0.7 -0.087 34.1 131.8-117.5 35.8 35.1 15.4 -25.6 61 61 A D H 3> S+ 0 0 50 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.863 70.2 60.0 -53.8 -39.4 32.8 12.6 -26.7 62 62 A S H 3> S+ 0 0 102 -3,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.906 107.9 44.0 -57.2 -43.5 35.6 10.1 -26.1 63 63 A L H <> S+ 0 0 80 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.946 115.4 49.3 -66.6 -44.5 35.8 11.1 -22.5 64 64 A I H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.922 112.1 46.4 -60.8 -47.6 32.0 11.1 -22.2 65 65 A N H X S+ 0 0 101 -4,-3.3 4,-0.9 1,-0.2 -1,-0.2 0.813 112.1 51.0 -67.1 -33.4 31.6 7.7 -23.8 66 66 A A H < S+ 0 0 65 -4,-1.6 3,-0.4 -5,-0.3 4,-0.4 0.918 112.0 46.7 -71.0 -40.5 34.3 6.1 -21.7 67 67 A A H >< S+ 0 0 4 -4,-2.4 3,-1.2 1,-0.2 6,-0.2 0.863 106.7 57.9 -68.9 -35.8 32.8 7.5 -18.5 68 68 A A H >< S+ 0 0 40 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.801 104.1 53.7 -64.0 -28.1 29.3 6.3 -19.4 69 69 A A T 3< S+ 0 0 89 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.542 123.6 25.1 -83.4 -9.9 30.7 2.8 -19.7 70 70 A N T X S+ 0 0 103 -3,-1.2 3,-1.7 -4,-0.4 -1,-0.3 -0.442 70.0 166.0-151.0 67.5 32.1 2.8 -16.2 71 71 A I G X S+ 0 0 32 -3,-0.5 3,-1.2 1,-0.3 4,-0.5 0.787 72.4 62.3 -59.1 -30.2 30.1 5.4 -14.2 72 72 A a G 3 S+ 0 0 53 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.549 94.0 63.2 -76.2 -5.6 31.4 4.2 -10.8 73 73 A G G < S+ 0 0 20 -3,-1.7 -1,-0.2 -6,-0.2 4,-0.2 0.504 90.1 71.7 -94.1 -2.6 35.0 5.2 -11.7 74 74 A Q S X S+ 0 0 6 -3,-1.2 51,-2.7 -4,-0.3 3,-1.5 0.902 80.8 65.2 -79.5 -43.7 34.1 8.9 -12.1 75 75 A W T 3 S+ 0 0 64 -4,-0.5 52,-1.4 1,-0.3 53,-0.2 0.787 101.7 48.5 -52.7 -36.5 33.5 10.0 -8.5 76 76 A S T 3 S+ 0 0 63 -4,-0.3 -1,-0.3 49,-0.1 -2,-0.1 0.544 92.1 97.4 -84.3 -9.2 37.1 9.5 -7.3 77 77 A K S < S- 0 0 108 -3,-1.5 51,-0.2 -4,-0.2 50,-0.2 -0.320 90.1 -84.1 -76.8 165.3 38.8 11.3 -10.1 78 78 A D - 0 0 129 1,-0.1 -1,-0.1 46,-0.1 48,-0.1 -0.428 50.9-112.2 -65.5 139.1 39.9 14.9 -10.0 79 79 A P - 0 0 41 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.424 29.2-147.9 -72.3 151.0 37.1 17.3 -10.8 80 80 A R + 0 0 67 44,-0.5 24,-2.6 22,-0.1 2,-0.3 -0.992 33.6 132.3-123.3 127.1 37.4 19.2 -14.2 81 81 A G E -m 104 0E 18 -2,-0.4 2,-0.5 22,-0.3 24,-0.2 -0.981 49.7-119.6-171.1 155.0 36.0 22.6 -14.7 82 82 A V E -m 105 0E 1 22,-2.5 24,-3.0 -2,-0.3 2,-0.4 -0.889 31.1-145.9-100.0 126.6 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 -0.800 10.7-165.4 -98.4 129.7 36.2 28.8 -13.2 84 84 A I E +m 107 0E 0 22,-3.0 24,-2.6 -2,-0.4 2,-0.4 -0.874 25.8 175.5-111.5 90.2 34.8 32.2 -14.2 85 85 A K E -m 108 0E 64 -2,-0.7 24,-0.2 1,-0.2 -38,-0.1 -0.854 56.1 -15.4-106.1 133.2 35.8 34.1 -11.1 86 86 A E S S+ 0 0 65 22,-2.3 -39,-0.6 -2,-0.4 2,-0.6 0.860 85.5 142.5 44.2 50.4 35.3 37.9 -10.5 87 87 A F B +l 47 0D 0 21,-0.3 24,-1.4 -3,-0.2 -39,-0.2 -0.941 11.6 158.0-121.0 107.4 34.6 38.7 -14.2 88 88 A T + 0 0 69 -41,-1.5 -40,-0.2 -2,-0.6 -1,-0.1 0.372 46.3 93.6-112.6 3.9 32.0 41.3 -14.5 89 89 A K S S- 0 0 108 -42,-1.6 -1,-0.1 -39,-0.2 -41,-0.1 0.731 102.9 -90.2 -71.1 -17.4 32.5 42.8 -18.0 90 90 A G - 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