==== 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 1O8H . 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) . 13207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 31.2 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 . 1 0.3 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 . 42 11.9 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 . 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 0 1 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 2 4 6 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 1 0 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 0 137 0, 0.0 9,-0.0 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0-179.6 17.8 41.6 -26.2 2 2 A T + 0 0 71 7,-0.1 8,-1.4 9,-0.1 2,-0.4 0.269 360.0 132.5-118.5 6.9 18.2 40.1 -22.7 3 3 A D B +A 9 0A 94 6,-0.2 6,-0.2 1,-0.2 4,-0.1 -0.495 23.8 175.1 -68.4 120.6 14.9 38.3 -22.1 4 4 A T - 0 0 3 4,-0.9 -1,-0.2 2,-0.5 3,-0.1 0.367 53.3-110.7-103.7 0.1 15.5 34.8 -20.8 5 5 A G S S+ 0 0 8 1,-0.3 2,-0.2 316,-0.2 4,-0.1 0.561 95.7 56.8 78.2 9.3 11.8 34.0 -20.3 6 6 A G S S- 0 0 2 2,-0.5 -2,-0.5 173,-0.1 -1,-0.3 -0.787 111.0 -61.0-150.2-167.9 12.6 34.1 -16.6 7 7 A Y S S+ 0 0 27 171,-0.4 2,-0.2 -2,-0.2 172,-0.2 0.746 105.3 82.0 -59.0 -29.8 14.1 36.1 -13.7 8 8 A A - 0 0 1 133,-0.2 -4,-0.9 198,-0.1 -2,-0.5 -0.549 59.4-168.4 -78.5 145.9 17.5 36.4 -15.4 9 9 A A B +A 3 0A 47 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.871 35.0 122.1-135.7 99.0 17.9 39.2 -17.9 10 10 A T - 0 0 2 -8,-1.4 3,-0.1 -2,-0.4 -2,-0.0 -0.993 50.6-159.1-159.5 149.9 21.2 38.7 -19.8 11 11 A A > - 0 0 24 1,-0.3 3,-1.8 -2,-0.3 2,-0.1 0.230 42.8-150.4-109.4 7.6 22.7 38.3 -23.3 12 12 A G T 3 - 0 0 2 1,-0.3 -1,-0.3 128,-0.2 80,-0.3 -0.382 67.2 -17.0 60.8-127.3 25.9 36.8 -21.8 13 13 A G T 3 S+ 0 0 0 39,-0.2 2,-2.4 77,-0.2 -1,-0.3 0.563 113.1 98.1 -86.1 -10.5 28.9 37.5 -23.9 14 14 A N < + 0 0 121 -3,-1.8 2,-0.2 38,-0.1 -1,-0.2 -0.422 64.5 101.7 -79.9 67.8 26.8 38.4 -26.9 15 15 A V S > S- 0 0 68 -2,-2.4 3,-1.4 75,-0.1 2,-0.1 -0.754 82.5 -56.7-136.1-178.8 27.0 42.1 -26.4 16 16 A T T 3 S+ 0 0 140 1,-0.2 -1,-0.0 -2,-0.2 -2,-0.0 -0.427 120.7 19.5 -67.9 137.3 29.0 45.1 -27.8 17 17 A G T 3 S+ 0 0 54 1,-0.3 -1,-0.2 -2,-0.1 -3,-0.1 0.455 89.7 150.9 83.9 2.9 32.8 44.8 -27.6 18 18 A A < - 0 0 34 -3,-1.4 2,-0.4 32,-0.1 -1,-0.3 -0.266 37.7-142.7 -68.2 153.1 32.6 41.0 -27.2 19 19 A V E -b 52 0B 49 32,-2.1 34,-2.3 -6,-0.1 2,-0.5 -0.976 10.6-142.0-119.6 129.6 35.4 38.8 -28.4 20 20 A S E +b 53 0B 93 -2,-0.4 2,-0.3 32,-0.2 34,-0.2 -0.823 23.5 173.6 -96.0 130.0 34.7 35.4 -30.0 21 21 A K E -b 54 0B 99 32,-2.6 34,-2.6 -2,-0.5 2,-0.5 -0.934 24.0-136.2-133.2 149.8 37.0 32.4 -29.3 22 22 A T E -b 55 0B 86 -2,-0.3 2,-0.6 32,-0.2 34,-0.2 -0.947 13.5-159.8-111.0 125.7 36.7 28.8 -30.2 23 23 A A E -b 56 0B 0 32,-2.3 34,-3.2 -2,-0.5 35,-0.7 -0.919 11.7-177.6-106.9 123.2 37.5 26.1 -27.6 24 24 A T S S+ 0 0 81 -2,-0.6 35,-0.3 33,-0.2 2,-0.3 0.544 71.9 8.3 -93.9 -8.8 38.4 22.7 -28.9 25 25 A S S > S- 0 0 41 33,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.950 85.8 -89.3-158.3 175.8 38.8 21.2 -25.5 26 26 A M H > S+ 0 0 32 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.870 124.0 51.0 -60.7 -43.1 38.3 21.8 -21.7 27 27 A Q H > S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.833 104.4 59.0 -66.2 -32.3 41.8 23.3 -21.4 28 28 A D H > S+ 0 0 48 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.914 105.9 47.9 -63.1 -41.3 41.1 25.6 -24.3 29 29 A I H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.940 112.4 48.7 -64.4 -47.2 38.2 27.1 -22.4 30 30 A V H X S+ 0 0 43 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.917 115.4 45.2 -55.2 -47.5 40.3 27.5 -19.3 31 31 A N H X S+ 0 0 79 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.870 110.6 53.2 -64.6 -42.4 43.1 29.1 -21.4 32 32 A I H X S+ 0 0 26 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.937 110.7 46.2 -61.3 -44.9 40.6 31.4 -23.3 33 33 A I H < S+ 0 0 6 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.887 111.2 53.2 -66.0 -38.9 39.1 32.8 -20.1 34 34 A D H >< S+ 0 0 75 -4,-1.8 3,-1.3 -5,-0.2 4,-0.3 0.942 111.6 44.9 -61.1 -45.3 42.5 33.3 -18.6 35 35 A A H >< S+ 0 0 54 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.853 104.7 63.5 -67.6 -31.7 43.6 35.3 -21.6 36 36 A A T 3< S+ 0 0 1 -4,-2.1 13,-3.0 1,-0.3 14,-0.7 0.527 95.1 62.8 -70.7 -6.0 40.3 37.2 -21.6 37 37 A R T < S+ 0 0 33 -3,-1.3 8,-2.5 -4,-0.4 2,-0.3 0.613 88.8 83.7 -92.2 -16.3 41.3 38.6 -18.2 38 38 A L B < -K 44 0C 63 -3,-1.5 6,-0.2 -4,-0.3 11,-0.1 -0.722 68.6-138.3 -96.3 140.4 44.4 40.5 -19.4 39 39 A D > - 0 0 61 4,-3.5 3,-2.1 -2,-0.3 -1,-0.1 -0.079 46.9 -78.4 -79.0-176.4 44.5 44.0 -21.0 40 40 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.750 133.5 51.7 -56.0 -24.0 46.6 45.0 -24.0 41 41 A N T 3 S- 0 0 137 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.191 120.9-104.4 -99.5 13.4 49.6 45.2 -21.6 42 42 A G S < S+ 0 0 50 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.579 79.5 131.7 75.9 8.2 49.2 41.7 -20.1 43 43 A K - 0 0 139 1,-0.1 -4,-3.5 0, 0.0 -1,-0.3 -0.719 60.6-105.8 -95.2 146.7 47.8 43.2 -16.9 44 44 A K B -K 38 0C 139 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.396 23.7-151.5 -74.6 143.8 44.6 41.8 -15.3 45 45 A V > - 0 0 46 -8,-2.5 3,-1.9 -2,-0.1 2,-0.1 -0.958 28.0-110.3-113.6 128.4 41.3 43.6 -15.4 46 46 A K T 3 S+ 0 0 148 -2,-0.4 41,-0.1 1,-0.3 40,-0.0 -0.431 103.1 10.6 -59.5 128.4 38.8 43.1 -12.6 47 47 A G T 3 S- 0 0 3 39,-0.5 41,-1.9 -2,-0.1 42,-1.4 0.396 134.7 -57.5 82.2 1.2 35.8 41.1 -13.8 48 48 A G < - 0 0 0 -3,-1.9 -11,-0.3 -11,-0.2 -12,-0.1 -0.294 52.4-100.9 108.1 160.4 37.5 40.3 -17.1 49 49 A A S S- 0 0 27 -13,-3.0 -12,-0.2 1,-0.3 -1,-0.1 0.800 93.8 -12.0 -87.5 -31.4 38.9 42.6 -19.8 50 50 A Y S S- 0 0 68 -14,-0.7 -1,-0.3 -5,-0.1 39,-0.2 -0.951 85.9 -72.8-160.5 165.4 36.0 42.4 -22.3 51 51 A P - 0 0 17 0, 0.0 -32,-2.1 0, 0.0 2,-0.4 -0.394 52.6-153.8 -64.8 150.9 32.8 40.4 -23.0 52 52 A L E -bc 19 91B 1 38,-2.5 40,-2.0 -34,-0.3 2,-0.5 -0.986 23.3-168.9-137.7 139.4 33.4 36.9 -24.3 53 53 A V E -bc 20 92B 13 -34,-2.3 -32,-2.6 -2,-0.4 2,-0.6 -0.962 15.6-169.7-123.3 112.1 31.7 34.3 -26.5 54 54 A I E -bc 21 93B 0 38,-3.0 40,-2.2 -2,-0.5 2,-0.8 -0.902 7.7-159.0-107.0 114.3 33.4 30.9 -26.4 55 55 A T E -bc 22 94B 48 -34,-2.6 -32,-2.3 -2,-0.6 2,-0.6 -0.823 13.1-151.2 -93.5 112.0 32.2 28.3 -28.9 56 56 A Y E +bc 23 95B 1 38,-2.1 40,-2.8 -2,-0.8 -32,-0.2 -0.763 24.2 168.8 -88.5 120.8 33.1 24.8 -27.6 57 57 A T + 0 0 62 -34,-3.2 -33,-0.2 -2,-0.6 -1,-0.1 0.346 36.1 119.7-111.4 2.8 33.7 22.2 -30.3 58 58 A G - 0 0 7 -35,-0.7 42,-2.3 41,-0.1 2,-0.4 -0.277 46.2-155.5 -69.6 158.6 35.3 19.5 -28.2 59 59 A N + 0 0 82 -35,-0.3 3,-0.2 40,-0.3 42,-0.2 -0.984 18.8 173.6-138.8 122.0 33.7 16.1 -28.0 60 60 A E >> + 0 0 31 -2,-0.4 4,-2.2 1,-0.1 3,-0.6 -0.196 32.4 134.0-119.5 38.5 34.4 13.7 -25.1 61 61 A D H 3> + 0 0 48 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.824 69.1 59.5 -56.9 -36.7 31.9 11.0 -26.0 62 62 A S H 3> S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.892 109.2 43.6 -62.6 -35.6 34.5 8.2 -25.3 63 63 A L H <> S+ 0 0 80 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.891 116.2 47.0 -73.5 -43.2 34.8 9.4 -21.7 64 64 A I H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.929 115.8 46.3 -62.4 -46.0 31.0 9.8 -21.3 65 65 A N H X S+ 0 0 94 -4,-3.4 4,-1.3 2,-0.2 -2,-0.2 0.845 112.2 48.3 -66.9 -40.7 30.4 6.4 -22.9 66 66 A A H X S+ 0 0 62 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.906 112.6 50.2 -67.1 -39.8 33.1 4.6 -20.8 67 67 A A H >< S+ 0 0 2 -4,-2.0 3,-1.2 1,-0.2 6,-0.3 0.908 108.8 51.3 -62.4 -44.5 31.6 6.2 -17.6 68 68 A A H >< S+ 0 0 39 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.814 106.4 56.5 -61.6 -31.1 28.1 5.1 -18.6 69 69 A A H 3< S+ 0 0 87 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.586 124.6 21.3 -78.1 -12.3 29.6 1.6 -19.0 70 70 A N T X< S+ 0 0 101 -3,-1.2 3,-1.7 -4,-0.5 -1,-0.3 -0.435 71.4 166.9-153.5 69.2 30.8 1.6 -15.4 71 71 A I G X S+ 0 0 30 -3,-0.6 3,-1.6 1,-0.3 4,-0.4 0.826 72.4 61.8 -58.1 -34.9 28.9 4.2 -13.5 72 72 A a G 3 S+ 0 0 54 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.546 94.5 62.3 -73.8 -5.2 30.0 3.0 -10.1 73 73 A G G < S+ 0 0 17 -3,-1.7 -1,-0.3 -6,-0.3 -2,-0.2 0.509 90.3 75.0 -94.8 -2.1 33.6 3.8 -10.9 74 74 A Q S X S+ 0 0 4 -3,-1.6 51,-2.4 -4,-0.3 3,-1.8 0.887 79.1 62.1 -76.9 -45.1 32.8 7.5 -11.3 75 75 A W T 3 S+ 0 0 60 -4,-0.4 52,-1.4 1,-0.3 53,-0.3 0.807 101.9 52.8 -55.4 -33.9 32.3 8.9 -7.8 76 76 A S T 3 S+ 0 0 66 -4,-0.2 -1,-0.3 49,-0.1 -2,-0.1 0.450 92.7 94.6 -83.6 -0.1 35.9 8.2 -6.7 77 77 A K S < S- 0 0 101 -3,-1.8 51,-0.2 1,-0.1 50,-0.2 -0.329 89.3 -83.0 -88.1 168.2 37.5 10.0 -9.6 78 78 A D - 0 0 124 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.474 46.3-118.2 -69.2 140.3 38.7 13.6 -9.7 79 79 A P - 0 0 40 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.492 27.0-155.3 -75.6 153.8 36.0 16.1 -10.4 80 80 A R + 0 0 69 44,-0.5 24,-2.7 -2,-0.1 2,-0.3 -0.996 24.1 149.7-132.9 128.8 36.5 18.2 -13.6 81 81 A G E -l 104 0D 15 -2,-0.4 2,-0.7 22,-0.3 24,-0.3 -0.958 44.3-125.8-163.7 139.0 35.0 21.6 -14.2 82 82 A V E -l 105 0D 1 22,-2.9 24,-2.8 -2,-0.3 2,-0.3 -0.781 35.7-143.9 -82.8 115.1 35.6 24.9 -16.0 83 83 A E E -l 106 0D 88 -2,-0.7 2,-0.4 22,-0.2 24,-0.2 -0.638 16.3-167.8 -84.9 137.2 35.4 27.6 -13.4 84 84 A I E +l 107 0D 0 22,-2.9 24,-2.6 -2,-0.3 2,-0.4 -0.784 26.4 170.1-122.6 77.2 33.9 30.9 -14.4 85 85 A K E -l 108 0D 64 -2,-0.4 24,-0.2 22,-0.2 25,-0.1 -0.823 59.5 -14.4 -99.4 129.4 35.0 32.9 -11.3 86 86 A E S S+ 0 0 63 22,-2.3 2,-0.6 -2,-0.4 -39,-0.5 0.838 85.6 141.3 45.4 47.2 34.6 36.6 -11.0 87 87 A F + 0 0 0 -3,-0.3 24,-1.3 21,-0.2 -39,-0.2 -0.975 9.8 154.9-116.3 111.2 34.0 37.2 -14.7 88 88 A T + 0 0 61 -41,-1.9 -40,-0.2 -2,-0.6 -1,-0.1 0.283 45.1 91.8-122.8 6.0 31.3 39.9 -15.0 89 89 A K S S- 0 0 75 -42,-1.4 -41,-0.1 -39,-0.2 23,-0.1 0.715 107.8 -84.1 -75.0 -20.2 31.9 41.5 -18.4 90 90 A G - 0 0 2 21,-0.3 -38,-2.5 -40,-0.1 2,-0.3 0.183 54.7-168.6 117.4 119.7 29.5 39.1 -19.9 91 91 A I E -cd 52 113B 0 21,-2.2 23,-2.5 -40,-0.2 2,-0.4 -0.999 10.5-170.3-143.3 145.7 30.3 35.6 -21.0 92 92 A T E -cd 53 114B 9 -40,-2.0 -38,-3.0 -2,-0.3 2,-0.6 -0.999 6.6-164.6-134.8 135.2 28.7 32.8 -23.0 93 93 A I E +cd 54 115B 0 21,-2.7 23,-2.4 -2,-0.4 2,-0.5 -0.968 19.8 175.3-120.4 107.4 29.8 29.2 -23.4 94 94 A I E -cd 55 116B 37 -40,-2.2 -38,-2.1 -2,-0.6 23,-0.2 -0.972 22.4-139.2-120.0 124.9 27.9 27.7 -26.3 95 95 A G E -c 56 0B 2 21,-2.3 -38,-0.2 -2,-0.5 2,-0.1 -0.573 21.0-121.9 -80.4 144.3 28.6 24.2 -27.5 96 96 A A > - 0 0 31 -40,-2.8 3,-1.9 -2,-0.2 2,-0.2 -0.395 45.9 -80.2 -76.8 162.7 28.7 23.6 -31.2 97 97 A N T 3 S+ 0 0 99 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.511 123.3 22.5 -64.2 128.5 26.3 21.0 -32.6 98 98 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.2 -2,-0.2 -41,-0.1 0.241 93.9 127.2 99.3 -15.3 27.9 17.6 -31.9 99 99 A S < + 0 0 7 -3,-1.9 -1,-0.3 -43,-0.2 2,-0.3 -0.290 33.4 179.9 -72.4 157.6 30.1 18.8 -29.1 100 100 A S - 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