==== 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 1O8M . 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) . 13442.0 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 . 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 . 2 0.6 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 . 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 0 128 0, 0.0 13,-0.1 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0-162.7 18.9 42.4 -25.5 2 2 A T + 0 0 79 7,-0.1 8,-0.7 9,-0.1 2,-0.6 0.305 360.0 118.3-107.4 7.6 18.8 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 -0.664 25.7 163.6 -83.8 118.2 15.6 39.7 -21.7 4 4 A T - 0 0 6 4,-0.7 -1,-0.1 -2,-0.6 3,-0.1 0.435 58.6-108.3-109.2 -4.0 16.0 36.1 -20.6 5 5 A G S S+ 0 0 8 1,-0.4 2,-0.2 316,-0.2 4,-0.1 0.623 95.7 55.7 82.4 15.1 12.3 35.2 -19.8 6 6 A G S S- 0 0 5 2,-0.5 -2,-0.4 173,-0.1 -1,-0.4 -0.849 108.7 -63.3-157.0-169.8 13.3 35.3 -16.1 7 7 A Y S S+ 0 0 29 171,-0.4 2,-0.2 -2,-0.2 172,-0.2 0.761 103.0 85.6 -59.7 -32.3 14.8 37.2 -13.2 8 8 A A - 0 0 1 133,-0.2 -4,-0.7 198,-0.1 -2,-0.5 -0.553 58.7-169.0 -74.1 136.6 18.2 37.4 -14.8 9 9 A A B +A 3 0A 47 -2,-0.2 2,-0.3 -6,-0.1 -6,-0.2 -0.879 33.3 126.0-128.6 95.9 18.6 40.4 -17.2 10 10 A T - 0 0 3 -8,-0.7 3,-0.1 -2,-0.5 -2,-0.0 -0.999 48.9-163.2-153.7 150.1 21.8 40.0 -19.2 11 11 A A > - 0 0 22 1,-0.3 3,-2.1 -2,-0.3 2,-0.2 0.305 41.2-155.2-108.7 0.7 23.3 39.9 -22.7 12 12 A G T 3 - 0 0 2 1,-0.3 -1,-0.3 128,-0.1 80,-0.2 -0.383 67.8 -14.9 62.8-127.0 26.4 38.4 -21.3 13 13 A G T 3 S+ 0 0 0 77,-0.2 2,-2.0 1,-0.2 -1,-0.3 0.486 112.3 99.7 -87.3 -3.9 29.4 39.1 -23.6 14 14 A N < + 0 0 114 -3,-2.1 2,-0.2 77,-0.1 -1,-0.2 -0.374 63.8 102.8 -81.7 62.1 27.1 40.1 -26.4 15 15 A V S > S- 0 0 67 -2,-2.0 3,-1.3 75,-0.1 2,-0.3 -0.515 82.4 -49.6-126.7-171.1 27.5 43.8 -25.7 16 16 A T T 3 S+ 0 0 142 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.533 122.5 10.1 -70.3 129.4 29.5 46.7 -27.2 17 17 A G T 3 S+ 0 0 56 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.1 0.611 85.1 164.7 79.6 13.1 33.2 46.0 -27.7 18 18 A A < - 0 0 33 -3,-1.3 2,-0.5 32,-0.1 34,-0.2 -0.345 30.8-139.1 -63.0 142.8 32.9 42.3 -27.1 19 19 A V E -b 52 0B 48 32,-2.5 34,-2.1 -6,-0.0 2,-0.4 -0.936 12.2-143.2-108.4 123.3 35.9 40.3 -28.3 20 20 A S E +b 53 0B 90 -2,-0.5 2,-0.3 32,-0.2 34,-0.2 -0.746 24.4 173.7 -88.3 131.6 35.0 37.0 -30.0 21 21 A K E -b 54 0B 88 32,-2.5 34,-2.6 -2,-0.4 2,-0.5 -0.953 25.3-136.5-136.0 152.0 37.4 34.1 -29.4 22 22 A T E -b 55 0B 89 -2,-0.3 2,-0.5 32,-0.2 34,-0.2 -0.942 15.0-164.0-110.6 128.3 37.3 30.4 -30.3 23 23 A A E -b 56 0B 0 32,-2.5 34,-2.9 -2,-0.5 35,-0.7 -0.964 10.4-177.2-112.7 126.6 38.3 27.8 -27.7 24 24 A T S S+ 0 0 84 -2,-0.5 35,-0.3 33,-0.2 2,-0.3 0.413 70.9 17.0-101.7 0.8 39.0 24.3 -29.0 25 25 A S S > S- 0 0 39 33,-0.2 4,-1.6 1,-0.1 3,-0.1 -0.960 84.5 -97.3-159.8 171.3 39.6 22.9 -25.5 26 26 A M H > S+ 0 0 32 -2,-0.3 4,-1.8 1,-0.2 3,-0.1 0.916 122.4 54.4 -63.2 -43.3 39.0 23.4 -21.8 27 27 A Q H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.812 102.8 56.4 -63.1 -31.0 42.5 24.8 -21.5 28 28 A D H > S+ 0 0 50 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.925 104.6 53.2 -66.1 -41.5 41.8 27.4 -24.3 29 29 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.925 110.4 47.5 -57.5 -45.2 38.8 28.7 -22.3 30 30 A V H X S+ 0 0 42 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.952 115.1 44.5 -61.2 -49.8 41.0 29.1 -19.3 31 31 A N H X S+ 0 0 83 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.877 111.3 54.0 -63.5 -39.7 43.7 30.9 -21.2 32 32 A I H X S+ 0 0 25 -4,-3.2 4,-1.4 2,-0.2 -1,-0.2 0.907 109.2 47.5 -63.0 -42.4 41.2 33.1 -23.1 33 33 A I H < S+ 0 0 7 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.914 110.8 52.4 -67.2 -39.9 39.6 34.3 -19.9 34 34 A D H >< S+ 0 0 76 -4,-2.1 3,-1.7 1,-0.2 4,-0.3 0.930 108.1 49.9 -60.6 -45.1 43.1 35.1 -18.4 35 35 A A H >< S+ 0 0 46 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.824 101.1 66.4 -62.7 -29.7 44.1 37.2 -21.4 36 36 A A T 3< S+ 0 0 0 -4,-1.4 13,-2.9 1,-0.3 14,-1.0 0.460 90.4 64.8 -74.0 -0.0 40.8 39.0 -21.1 37 37 A R T < S+ 0 0 42 -3,-1.7 8,-2.7 11,-0.3 2,-0.3 0.604 84.7 89.8 -96.3 -12.0 41.9 40.5 -17.8 38 38 A L B < -K 44 0C 65 -3,-1.4 6,-0.2 -4,-0.3 11,-0.1 -0.692 63.9-145.0 -93.3 137.8 44.8 42.6 -19.3 39 39 A D > - 0 0 60 4,-2.8 3,-2.2 -2,-0.3 -1,-0.1 -0.123 46.3 -77.3 -84.0-174.1 44.6 46.1 -20.5 40 40 A A T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.737 133.3 50.8 -58.9 -20.7 46.5 47.7 -23.5 41 41 A N T 3 S- 0 0 136 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.345 119.3-105.9 -99.1 3.8 49.5 47.9 -21.2 42 42 A G S < S+ 0 0 50 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.661 77.8 131.4 81.9 13.4 49.5 44.3 -20.0 43 43 A K - 0 0 141 1,-0.0 -4,-2.8 -6,-0.0 -1,-0.3 -0.792 62.4-104.4-100.0 147.4 48.2 45.2 -16.5 44 44 A K B -K 38 0C 127 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.406 27.8-150.2 -71.2 141.4 45.3 43.4 -14.9 45 45 A V > - 0 0 45 -8,-2.7 3,-2.1 -2,-0.1 2,-0.2 -0.963 24.0-113.2-115.6 126.4 42.0 45.1 -14.7 46 46 A K T 3 S+ 0 0 194 -2,-0.5 41,-0.1 1,-0.3 40,-0.1 -0.426 103.0 10.2 -59.4 122.1 39.6 44.3 -11.9 47 47 A G B 3 S-l 87 0D 6 39,-0.5 42,-1.7 -2,-0.2 41,-1.3 0.340 133.4 -60.3 89.0 -4.8 36.5 42.5 -13.2 48 48 A G < - 0 0 0 -3,-2.1 -11,-0.3 -11,-0.2 -12,-0.1 -0.140 41.4-112.8 109.7 154.0 38.1 42.0 -16.6 49 49 A A S S+ 0 0 29 -13,-2.9 -12,-0.2 1,-0.2 -1,-0.1 0.796 91.4 4.1 -91.0 -32.2 39.4 44.4 -19.3 50 50 A Y S S- 0 0 59 -14,-1.0 -1,-0.2 40,-0.1 39,-0.2 -0.981 79.9 -92.6-151.9 158.2 36.8 43.6 -22.0 51 51 A P - 0 0 17 0, 0.0 -32,-2.5 0, 0.0 2,-0.3 -0.420 43.9-149.9 -71.2 152.0 33.6 41.6 -22.7 52 52 A L E -bc 19 91B 0 38,-2.1 40,-1.7 -34,-0.2 2,-0.5 -0.954 24.8-169.1-131.9 148.2 33.9 38.2 -24.2 53 53 A V E -bc 20 92B 15 -34,-2.1 -32,-2.5 -2,-0.3 2,-0.6 -0.950 19.8-170.4-130.8 101.6 32.1 35.8 -26.5 54 54 A I E -bc 21 93B 0 38,-2.8 40,-2.8 -2,-0.5 2,-0.7 -0.883 8.1-160.3 -98.5 119.7 33.8 32.4 -26.4 55 55 A T E -bc 22 94B 48 -34,-2.6 -32,-2.5 -2,-0.6 2,-0.7 -0.906 13.1-149.9 -99.1 115.3 32.6 29.8 -28.9 56 56 A Y E +bc 23 95B 1 38,-2.9 40,-3.2 -2,-0.7 -32,-0.2 -0.799 24.9 168.7 -92.0 119.9 33.7 26.4 -27.7 57 57 A T + 0 0 60 -34,-2.9 -33,-0.2 -2,-0.7 -1,-0.1 0.419 36.1 119.0-108.6 -1.4 34.3 24.0 -30.5 58 58 A G - 0 0 7 -35,-0.7 42,-1.8 41,-0.1 2,-0.4 -0.169 46.7-154.7 -64.7 160.8 36.0 21.2 -28.5 59 59 A N + 0 0 82 -35,-0.3 3,-0.2 40,-0.3 42,-0.2 -0.979 18.2 175.1-141.0 122.3 34.5 17.7 -28.3 60 60 A E > + 0 0 27 -2,-0.4 4,-2.3 40,-0.2 3,-0.5 -0.144 34.7 131.5-118.9 38.8 35.1 15.2 -25.5 61 61 A D H > + 0 0 49 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.842 69.3 59.5 -59.0 -37.0 32.8 12.4 -26.5 62 62 A S H > S+ 0 0 91 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 108.8 44.7 -60.7 -38.3 35.5 9.8 -26.0 63 63 A L H > S+ 0 0 74 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.935 115.7 47.7 -69.4 -44.0 35.8 10.8 -22.3 64 64 A I H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.947 113.3 46.4 -63.1 -48.2 32.0 10.9 -22.0 65 65 A N H X S+ 0 0 102 -4,-3.5 4,-1.0 1,-0.2 -1,-0.2 0.831 112.3 51.1 -65.1 -35.0 31.5 7.5 -23.7 66 66 A A H < S+ 0 0 63 -4,-1.8 4,-0.4 -5,-0.3 3,-0.3 0.915 111.6 47.4 -68.4 -41.7 34.2 6.0 -21.6 67 67 A A H >< S+ 0 0 3 -4,-2.4 3,-1.6 1,-0.2 6,-0.3 0.911 106.5 57.0 -64.9 -43.0 32.6 7.3 -18.4 68 68 A A H >< S+ 0 0 38 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.804 105.6 52.5 -57.3 -31.6 29.1 6.1 -19.4 69 69 A A T 3< S+ 0 0 89 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.540 120.7 31.4 -82.8 -12.4 30.5 2.6 -19.7 70 70 A N T X S+ 0 0 101 -3,-1.6 3,-2.2 -4,-0.4 4,-0.3 -0.414 70.3 167.3-145.1 62.6 32.0 2.7 -16.2 71 71 A I G X S+ 0 0 39 -3,-0.6 3,-1.3 1,-0.3 4,-0.4 0.814 73.2 56.1 -43.5 -45.9 29.8 4.9 -14.2 72 72 A a G 3 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.366 94.9 66.5 -78.1 4.4 31.2 4.0 -10.8 73 73 A G G < S+ 0 0 19 -3,-2.2 -1,-0.2 -6,-0.3 -2,-0.2 0.468 87.7 71.4-101.2 -2.7 34.8 4.9 -11.7 74 74 A Q S X S+ 0 0 5 -3,-1.3 51,-2.6 -4,-0.3 3,-1.8 0.894 79.8 66.4 -79.8 -43.1 34.0 8.6 -12.0 75 75 A W T 3 S+ 0 0 63 -4,-0.4 52,-1.6 1,-0.3 53,-0.2 0.759 102.5 47.2 -54.0 -33.0 33.4 9.8 -8.4 76 76 A S T 3 S+ 0 0 65 -4,-0.2 -1,-0.3 50,-0.1 -2,-0.1 0.447 92.9 97.2 -89.9 -3.8 37.0 9.2 -7.2 77 77 A K S < S- 0 0 106 -3,-1.8 50,-0.2 1,-0.1 51,-0.1 -0.317 90.1 -82.4 -79.6 170.5 38.7 10.9 -10.2 78 78 A D - 0 0 128 1,-0.1 -1,-0.1 46,-0.1 2,-0.1 -0.456 48.9-117.5 -68.9 140.9 40.0 14.5 -10.2 79 79 A P - 0 0 40 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.508 27.1-151.2 -77.4 156.0 37.1 17.0 -10.9 80 80 A R + 0 0 73 44,-0.5 24,-2.9 -2,-0.1 2,-0.3 -0.995 29.8 134.3-130.3 130.8 37.5 19.1 -14.1 81 81 A G E -m 104 0E 15 -2,-0.4 2,-0.5 22,-0.3 24,-0.2 -0.976 48.5-118.1-173.4 152.3 36.1 22.6 -14.6 82 82 A V E -m 105 0E 1 22,-2.7 24,-3.0 -2,-0.3 2,-0.4 -0.855 32.0-144.8 -95.1 130.0 36.7 26.1 -15.8 83 83 A E E -m 106 0E 90 -2,-0.5 2,-0.6 22,-0.2 24,-0.2 -0.808 11.2-165.5 -99.8 132.2 36.4 28.7 -13.1 84 84 A I E +m 107 0E 0 22,-3.2 24,-2.9 -2,-0.4 2,-0.5 -0.882 25.2 173.0-115.9 90.2 34.9 32.1 -14.0 85 85 A K E -m 108 0E 82 -2,-0.6 24,-0.2 22,-0.2 25,-0.1 -0.900 58.5 -14.8-108.8 126.1 35.9 34.0 -10.9 86 86 A E S S+ 0 0 90 22,-2.2 2,-0.6 -2,-0.5 -39,-0.5 0.886 84.9 142.8 51.7 47.8 35.4 37.8 -10.5 87 87 A F B +l 47 0D 0 -3,-0.2 24,-1.3 21,-0.2 -1,-0.2 -0.924 10.0 156.8-119.9 105.1 34.8 38.5 -14.1 88 88 A T + 0 0 60 -41,-1.3 -40,-0.2 -2,-0.6 -1,-0.1 0.411 46.8 91.2-109.7 -0.5 32.1 41.2 -14.5 89 89 A K S S- 0 0 85 -42,-1.7 -1,-0.1 -39,-0.2 -41,-0.1 0.723 104.3 -90.6 -68.3 -19.7 32.7 42.7 -17.9 90 90 A G - 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