==== 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 1O8J . 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) . 13444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 72.4 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 . 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 . 44 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 6.8 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 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 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 13,-0.1 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 -42.3 18.7 42.3 -25.7 2 2 A T + 0 0 79 7,-0.1 2,-0.8 9,-0.1 8,-0.4 0.176 360.0 116.7-113.2 12.9 18.6 41.6 -21.9 3 3 A D + 0 0 110 6,-0.2 6,-0.1 1,-0.2 4,-0.1 -0.760 25.5 162.6 -89.6 111.4 15.4 39.7 -21.8 4 4 A T - 0 0 7 -2,-0.8 -1,-0.2 4,-0.7 3,-0.1 0.528 58.5-110.0-102.5 -9.5 15.9 36.1 -20.6 5 5 A G S S+ 0 0 8 1,-0.4 2,-0.2 316,-0.1 4,-0.1 0.616 93.1 56.9 87.2 15.6 12.3 35.4 -19.7 6 6 A G S S- 0 0 5 2,-0.5 -2,-0.4 173,-0.1 -1,-0.4 -0.860 108.6 -62.9-156.8-170.4 13.2 35.3 -16.0 7 7 A Y S S+ 0 0 30 171,-0.4 2,-0.3 -2,-0.2 172,-0.2 0.764 104.2 86.3 -59.4 -29.4 14.7 37.2 -13.1 8 8 A A - 0 0 1 133,-0.1 -4,-0.7 198,-0.1 -2,-0.5 -0.571 57.8-171.7 -75.3 134.0 18.1 37.4 -14.8 9 9 A A + 0 0 49 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.2 -0.864 32.1 126.2-127.5 95.2 18.5 40.4 -17.2 10 10 A T - 0 0 2 -2,-0.5 3,-0.1 -8,-0.4 -2,-0.0 -0.998 49.1-162.4-152.1 150.2 21.7 40.1 -19.1 11 11 A A > - 0 0 21 -2,-0.3 3,-2.0 1,-0.3 2,-0.2 0.311 41.5-156.7-106.9 -1.1 23.1 40.1 -22.6 12 12 A G T 3 - 0 0 3 1,-0.3 -1,-0.3 128,-0.1 80,-0.2 -0.383 66.3 -14.3 63.1-127.0 26.3 38.6 -21.3 13 13 A G T 3 S+ 0 0 0 -2,-0.2 2,-2.1 77,-0.2 -1,-0.3 0.523 111.6 99.5 -85.9 -7.4 29.2 39.2 -23.6 14 14 A N < + 0 0 113 -3,-2.0 2,-0.2 77,-0.1 -1,-0.2 -0.443 63.3 102.9 -79.9 67.5 27.0 40.3 -26.4 15 15 A V S > S- 0 0 70 -2,-2.1 3,-1.2 75,-0.1 2,-0.3 -0.573 81.9 -51.5-130.9-169.2 27.4 44.0 -25.8 16 16 A T T 3 S+ 0 0 146 1,-0.2 -1,-0.0 -2,-0.2 -2,-0.0 -0.581 123.0 14.7 -74.4 130.0 29.4 47.0 -27.2 17 17 A G T 3 S+ 0 0 55 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.1 0.439 85.6 163.9 86.8 1.7 33.1 46.3 -27.6 18 18 A A < - 0 0 31 -3,-1.2 2,-0.5 32,-0.1 -1,-0.2 -0.197 30.3-142.5 -54.1 140.0 32.7 42.5 -27.2 19 19 A V E -a 52 0A 49 32,-2.4 34,-2.2 -6,-0.1 2,-0.5 -0.948 11.3-144.3-109.9 121.5 35.7 40.5 -28.3 20 20 A S E +a 53 0A 93 -2,-0.5 2,-0.3 32,-0.2 34,-0.2 -0.764 23.6 174.7 -89.1 131.3 34.9 37.2 -30.0 21 21 A K E -a 54 0A 89 32,-2.6 34,-2.5 -2,-0.5 2,-0.5 -0.953 25.0-136.2-134.9 152.0 37.2 34.3 -29.4 22 22 A T E -a 55 0A 88 -2,-0.3 2,-0.5 32,-0.2 34,-0.2 -0.938 15.3-164.1-110.5 128.3 37.2 30.7 -30.4 23 23 A A E -a 56 0A 0 32,-2.9 34,-2.9 -2,-0.5 35,-0.7 -0.962 11.1-178.7-113.9 124.5 38.1 28.0 -27.8 24 24 A T S S+ 0 0 83 -2,-0.5 35,-0.3 33,-0.2 2,-0.3 0.423 71.0 16.9-101.0 -0.3 39.0 24.6 -29.1 25 25 A S S > S- 0 0 40 33,-0.2 4,-1.6 1,-0.1 3,-0.2 -0.967 84.6 -97.7-159.8 169.7 39.6 23.1 -25.7 26 26 A M H > S+ 0 0 38 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.918 122.0 54.6 -60.3 -45.1 39.0 23.7 -22.0 27 27 A Q H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.826 102.9 56.4 -61.0 -32.5 42.5 25.1 -21.6 28 28 A D H > S+ 0 0 49 2,-0.2 4,-3.3 -3,-0.2 5,-0.2 0.946 104.8 52.3 -63.7 -44.8 41.8 27.6 -24.4 29 29 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.915 111.3 48.1 -55.3 -43.5 38.7 28.9 -22.4 30 30 A V H X S+ 0 0 50 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.943 114.2 44.5 -62.7 -49.5 41.0 29.3 -19.4 31 31 A N H X S+ 0 0 89 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.858 112.2 53.2 -64.9 -37.5 43.7 31.2 -21.4 32 32 A I H X S+ 0 0 23 -4,-3.3 4,-1.7 2,-0.2 -1,-0.2 0.934 109.6 46.7 -64.9 -46.2 41.2 33.4 -23.2 33 33 A I H < S+ 0 0 7 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.904 111.4 52.5 -63.5 -40.9 39.5 34.5 -19.9 34 34 A D H >< S+ 0 0 86 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.891 108.3 50.2 -63.3 -38.6 42.9 35.2 -18.4 35 35 A A H >< S+ 0 0 47 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.841 99.5 66.5 -68.4 -32.9 43.9 37.4 -21.4 36 36 A A T 3< S+ 0 0 0 -4,-1.7 13,-3.0 1,-0.3 14,-1.1 0.453 89.0 68.1 -69.4 1.2 40.7 39.3 -21.1 37 37 A R T < S+ 0 0 41 -3,-1.3 8,-3.0 11,-0.3 2,-0.4 0.593 84.5 88.8 -95.3 -8.6 41.8 40.7 -17.8 38 38 A L B < -J 44 0B 63 -3,-1.7 6,-0.2 6,-0.2 11,-0.1 -0.709 64.4-144.2 -98.3 139.8 44.6 42.8 -19.2 39 39 A D > - 0 0 63 4,-3.0 3,-2.4 -2,-0.4 -1,-0.1 -0.146 45.7 -78.9 -85.1-176.5 44.4 46.4 -20.5 40 40 A A T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.704 133.0 50.6 -57.6 -20.7 46.3 47.9 -23.5 41 41 A N T 3 S- 0 0 137 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.300 120.3-106.3-100.2 5.0 49.4 48.2 -21.3 42 42 A G S < S+ 0 0 49 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.694 77.5 131.9 79.5 17.4 49.3 44.6 -20.1 43 43 A K - 0 0 150 1,-0.0 -4,-3.0 -6,-0.0 -1,-0.3 -0.833 61.8-104.4-104.7 143.6 48.1 45.4 -16.6 44 44 A K B -J 38 0B 135 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.361 26.9-151.2 -67.0 142.5 45.2 43.6 -15.0 45 45 A V > - 0 0 46 -8,-3.0 3,-2.2 -2,-0.1 2,-0.2 -0.971 24.8-113.2-117.5 124.6 41.8 45.3 -14.8 46 46 A K T 3 S+ 0 0 184 -2,-0.5 41,-0.1 1,-0.3 40,-0.1 -0.400 103.1 12.2 -59.3 122.8 39.5 44.4 -11.9 47 47 A G B 3 S-k 87 0C 6 39,-0.5 42,-1.5 -2,-0.2 41,-1.4 0.342 134.0 -60.9 90.6 -4.7 36.4 42.6 -13.2 48 48 A G < - 0 0 0 -3,-2.2 -11,-0.3 -11,-0.2 -12,-0.1 -0.122 41.5-113.6 108.0 152.2 38.0 42.2 -16.6 49 49 A A S S+ 0 0 28 -13,-3.0 -12,-0.2 1,-0.2 -1,-0.1 0.798 90.8 4.4 -90.0 -32.8 39.3 44.6 -19.3 50 50 A Y S S- 0 0 59 -14,-1.1 -1,-0.2 -5,-0.1 39,-0.2 -0.978 79.8 -93.0-150.9 158.5 36.7 43.8 -22.0 51 51 A P - 0 0 16 0, 0.0 -32,-2.4 0, 0.0 2,-0.4 -0.423 41.9-152.6 -71.7 154.2 33.5 41.8 -22.8 52 52 A L E -ab 19 91A 0 38,-2.1 40,-1.7 -34,-0.2 2,-0.5 -0.967 23.1-167.8-134.0 145.8 33.9 38.4 -24.3 53 53 A V E -ab 20 92A 16 -34,-2.2 -32,-2.6 -2,-0.4 2,-0.5 -0.957 21.1-168.5-128.4 103.2 32.0 36.0 -26.6 54 54 A I E -ab 21 93A 0 38,-3.0 40,-2.7 -2,-0.5 2,-0.7 -0.873 8.4-159.8 -98.8 124.0 33.7 32.6 -26.5 55 55 A T E -ab 22 94A 51 -34,-2.5 -32,-2.9 -2,-0.5 2,-0.7 -0.929 12.6-150.2-102.8 114.9 32.6 30.0 -29.0 56 56 A Y E +ab 23 95A 1 38,-2.7 40,-2.8 -2,-0.7 -32,-0.2 -0.810 24.0 169.8 -90.8 117.5 33.6 26.6 -27.8 57 57 A T + 0 0 63 -34,-2.9 -33,-0.2 -2,-0.7 -1,-0.1 0.361 36.4 122.2-106.5 2.4 34.3 24.2 -30.6 58 58 A G - 0 0 6 -35,-0.7 42,-2.2 41,-0.1 2,-0.4 -0.156 44.8-156.5 -65.9 159.0 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 -0.965 19.1 171.6-140.9 119.2 34.6 17.8 -28.5 60 60 A E > + 0 0 26 -2,-0.4 4,-2.3 1,-0.1 3,-0.4 -0.168 34.0 131.5-118.5 38.4 35.2 15.4 -25.6 61 61 A D H > + 0 0 50 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.860 69.4 59.6 -57.8 -38.0 32.9 12.6 -26.7 62 62 A S H > S+ 0 0 90 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 108.0 44.1 -59.9 -41.4 35.6 10.1 -26.1 63 63 A L H > S+ 0 0 75 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.936 115.7 48.8 -68.2 -43.4 35.9 11.0 -22.5 64 64 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.907 112.4 47.1 -62.9 -43.9 32.1 11.1 -22.1 65 65 A N H X S+ 0 0 101 -4,-3.3 4,-0.8 1,-0.2 -1,-0.2 0.825 111.6 51.0 -69.4 -32.8 31.6 7.7 -23.8 66 66 A A H X S+ 0 0 65 -4,-1.7 4,-0.5 -5,-0.3 3,-0.3 0.884 112.3 47.0 -71.2 -37.5 34.3 6.1 -21.7 67 67 A A H >< S+ 0 0 3 -4,-2.2 3,-1.3 1,-0.2 6,-0.2 0.894 104.9 59.3 -70.3 -40.3 32.7 7.4 -18.5 68 68 A A H 3< S+ 0 0 40 -4,-2.4 3,-0.5 1,-0.3 -1,-0.2 0.776 106.1 50.9 -58.1 -27.1 29.2 6.3 -19.6 69 69 A A H 3< S+ 0 0 90 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.616 119.7 33.0 -86.8 -17.1 30.6 2.8 -19.7 70 70 A N X< + 0 0 101 -3,-1.3 3,-2.3 -4,-0.5 4,-0.3 -0.467 69.6 168.0-138.8 63.4 32.2 2.9 -16.3 71 71 A I G > S+ 0 0 28 -3,-0.5 3,-1.3 1,-0.3 4,-0.4 0.832 73.9 54.2 -42.6 -46.7 29.9 5.1 -14.2 72 72 A a G 3 S+ 0 0 55 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.463 94.5 67.6 -76.9 -2.1 31.4 4.2 -10.9 73 73 A G G < S+ 0 0 19 -3,-2.3 -1,-0.3 -6,-0.2 -2,-0.2 0.505 88.7 71.6 -93.0 -1.9 35.0 5.1 -11.8 74 74 A Q S X S+ 0 0 5 -3,-1.3 51,-2.7 -4,-0.3 3,-1.7 0.901 80.0 64.2 -80.3 -45.2 34.0 8.8 -12.0 75 75 A W T 3 S+ 0 0 62 -4,-0.4 52,-1.5 1,-0.3 53,-0.2 0.768 102.5 49.7 -52.7 -33.8 33.5 10.0 -8.5 76 76 A S T 3 S+ 0 0 65 -4,-0.2 -1,-0.3 50,-0.1 -2,-0.1 0.454 91.2 95.0 -87.8 -4.5 37.1 9.4 -7.3 77 77 A K S < S- 0 0 107 -3,-1.7 50,-0.2 -4,-0.1 51,-0.2 -0.349 90.6 -82.0 -81.9 169.4 38.8 11.2 -10.2 78 78 A D - 0 0 130 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.410 50.4-112.8 -67.6 142.5 40.0 14.8 -10.1 79 79 A P - 0 0 42 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.483 28.8-150.6 -76.0 153.4 37.1 17.3 -10.8 80 80 A R + 0 0 64 44,-0.5 24,-2.7 -2,-0.1 2,-0.3 -0.984 31.1 135.0-127.6 124.7 37.5 19.2 -14.1 81 81 A G E -l 104 0D 22 -2,-0.4 2,-0.5 22,-0.3 24,-0.2 -0.990 48.7-120.3-166.7 153.5 36.0 22.7 -14.6 82 82 A V E -l 105 0D 1 22,-2.7 24,-2.9 -2,-0.3 2,-0.4 -0.866 32.3-145.2 -96.6 129.2 36.6 26.2 -15.9 83 83 A E E -l 106 0D 90 -2,-0.5 2,-0.7 22,-0.2 24,-0.2 -0.823 12.6-166.4-100.3 132.7 36.3 28.8 -13.3 84 84 A I E +l 107 0D 0 22,-2.8 24,-2.7 -2,-0.4 2,-0.5 -0.883 24.5 175.2-117.0 89.0 34.9 32.3 -14.1 85 85 A K E -l 108 0D 76 -2,-0.7 24,-0.2 1,-0.2 -38,-0.1 -0.888 58.1 -15.4-106.1 127.7 35.9 34.2 -11.0 86 86 A E S S+ 0 0 83 22,-2.3 2,-0.6 -2,-0.5 -39,-0.5 0.894 85.0 144.6 50.0 48.9 35.3 37.9 -10.5 87 87 A F B +k 47 0C 0 -3,-0.2 24,-1.2 21,-0.2 -1,-0.2 -0.921 9.2 156.2-119.6 106.7 34.6 38.6 -14.2 88 88 A T + 0 0 63 -41,-1.4 -40,-0.2 -2,-0.6 -1,-0.1 0.349 46.2 91.4-113.6 3.9 32.0 41.3 -14.5 89 89 A K S S- 0 0 85 -42,-1.5 -1,-0.1 -39,-0.2 -41,-0.1 0.771 105.3 -87.3 -70.5 -23.1 32.6 42.9 -18.0 90 90 A G - 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