==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE (ACTING ON POLYSACCHARIDES) 08-AUG-94 2PEC . COMPND 2 MOLECULE: PECTATE LYASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR M.D.YODER,F.JURNAK . 352 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 31.8 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 . 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 . 30 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 7.1 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 0 0 1 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 . 2 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 0.000 360.0 360.0 360.0 143.5 19.0 42.4 -25.3 2 2 A T + 0 0 83 7,-0.1 8,-1.3 9,-0.1 2,-0.4 0.447 360.0 120.4-106.9 -3.5 19.1 41.5 -21.6 3 3 A D B +A 9 0A 105 6,-0.2 6,-0.1 1,-0.2 4,-0.1 -0.466 25.2 165.1 -70.4 122.5 15.8 39.6 -21.5 4 4 A T - 0 0 5 4,-0.6 -1,-0.2 2,-0.5 3,-0.1 0.379 58.6-107.4-114.3 -1.3 16.2 36.0 -20.4 5 5 A G S S+ 0 0 7 1,-0.3 2,-0.3 316,-0.2 4,-0.1 0.621 96.2 53.0 81.1 14.7 12.5 35.2 -19.6 6 6 A G S S- 0 0 6 2,-0.5 -2,-0.5 173,-0.1 -1,-0.3 -0.855 109.4 -61.3-158.8-170.1 13.4 35.2 -15.9 7 7 A Y S S+ 0 0 31 171,-0.4 2,-0.3 -2,-0.3 172,-0.2 0.766 101.3 88.4 -58.4 -34.3 15.0 37.2 -13.1 8 8 A A - 0 0 1 133,-0.2 -4,-0.6 198,-0.1 2,-0.6 -0.526 58.6-167.2 -70.4 131.1 18.5 37.3 -14.6 9 9 A A B +A 3 0A 48 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.2 -0.871 35.6 123.8-120.6 96.2 18.9 40.4 -16.9 10 10 A T - 0 0 2 -8,-1.3 3,-0.1 -2,-0.6 131,-0.0 -0.998 50.6-164.8-156.1 152.7 22.1 39.9 -19.0 11 11 A A > - 0 0 18 -2,-0.3 3,-2.3 1,-0.3 2,-0.2 0.267 41.3-154.7-113.0 1.4 23.6 39.7 -22.4 12 12 A G T 3 - 0 0 3 1,-0.3 -1,-0.3 128,-0.2 80,-0.3 -0.420 68.9 -15.6 61.7-121.4 26.7 38.2 -21.0 13 13 A G T 3 S+ 0 0 0 -2,-0.2 2,-1.8 77,-0.2 -1,-0.3 0.373 110.2 101.2 -96.0 2.3 29.6 38.9 -23.3 14 14 A N < + 0 0 98 -3,-2.3 2,-0.2 77,-0.1 -1,-0.1 -0.505 62.5 109.2 -86.2 65.1 27.4 40.0 -26.2 15 15 A V S > S- 0 0 69 -2,-1.8 3,-1.2 75,-0.1 2,-0.3 -0.600 79.7 -59.4-126.1-174.6 28.0 43.6 -25.6 16 16 A T T 3 S+ 0 0 142 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.556 121.5 16.0 -72.5 131.4 29.8 46.6 -27.2 17 17 A G T 3 S+ 0 0 56 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.653 86.5 158.3 81.4 14.1 33.6 46.0 -27.4 18 18 A A < - 0 0 35 -3,-1.2 2,-0.5 32,-0.1 -1,-0.2 -0.442 33.6-142.7 -71.2 145.5 33.3 42.3 -26.9 19 19 A V E -b 52 0B 49 32,-2.4 34,-1.9 -2,-0.1 2,-0.4 -0.952 11.8-144.0-110.7 129.6 36.2 40.2 -28.1 20 20 A S E +b 53 0B 90 -2,-0.5 2,-0.3 32,-0.2 34,-0.2 -0.809 22.5 174.8 -96.4 136.2 35.4 36.9 -29.6 21 21 A K E -b 54 0B 94 32,-2.4 34,-2.6 -2,-0.4 2,-0.5 -0.959 24.7-133.3-137.6 154.4 37.7 33.9 -29.1 22 22 A T E -b 55 0B 88 -2,-0.3 2,-0.5 32,-0.2 34,-0.2 -0.942 15.2-160.9-112.5 126.5 37.5 30.2 -30.0 23 23 A A E -b 56 0B 0 32,-2.9 34,-3.3 -2,-0.5 35,-0.6 -0.920 11.9-178.5-106.4 130.3 38.4 27.6 -27.4 24 24 A T S S+ 0 0 86 -2,-0.5 35,-0.3 33,-0.2 2,-0.3 0.367 71.1 13.3-106.1 0.8 39.2 24.2 -28.7 25 25 A S S > S- 0 0 38 33,-0.1 4,-1.6 1,-0.1 -1,-0.1 -0.972 84.0 -94.6-162.3 173.0 39.8 22.7 -25.3 26 26 A M H > S+ 0 0 36 -2,-0.3 4,-1.9 1,-0.2 3,-0.1 0.928 122.9 53.2 -62.8 -44.8 39.3 23.3 -21.6 27 27 A Q H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.880 103.1 56.9 -60.1 -38.8 42.8 24.7 -21.3 28 28 A D H > S+ 0 0 49 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.929 105.8 51.2 -58.1 -43.4 42.1 27.2 -24.1 29 29 A I H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.908 109.5 49.5 -60.7 -43.9 39.1 28.5 -22.1 30 30 A V H X S+ 0 0 42 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.943 114.7 45.0 -60.0 -46.3 41.3 28.9 -19.0 31 31 A N H X S+ 0 0 82 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.905 110.2 53.2 -65.7 -43.4 43.9 30.8 -21.0 32 32 A I H X S+ 0 0 23 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.919 110.6 47.8 -58.7 -44.5 41.4 33.0 -22.9 33 33 A I H < S+ 0 0 6 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.904 110.6 50.9 -65.0 -42.9 39.9 34.1 -19.6 34 34 A D H >< S+ 0 0 77 -4,-2.1 3,-1.5 1,-0.2 4,-0.2 0.924 110.8 48.7 -60.6 -44.4 43.3 34.9 -18.0 35 35 A A H >< S+ 0 0 46 -4,-2.5 3,-2.1 1,-0.3 -1,-0.2 0.877 100.5 65.8 -63.2 -36.1 44.3 36.9 -21.0 36 36 A A T 3< S+ 0 0 0 -4,-1.9 13,-3.2 1,-0.3 14,-1.1 0.490 92.4 65.0 -66.9 -1.1 41.0 38.8 -20.8 37 37 A R T < S+ 0 0 39 -3,-1.5 8,-3.1 11,-0.3 2,-0.4 0.556 84.5 90.1 -96.1 -9.7 42.2 40.2 -17.5 38 38 A L B < -K 44 0C 68 -3,-2.1 6,-0.2 6,-0.2 11,-0.1 -0.760 64.7-145.8 -97.5 130.0 45.1 42.2 -19.0 39 39 A D > - 0 0 58 4,-3.4 3,-2.0 -2,-0.4 -2,-0.1 -0.084 45.5 -78.2 -75.9-174.0 44.8 45.8 -20.2 40 40 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.823 132.5 49.1 -58.3 -31.4 46.7 47.3 -23.1 41 41 A N T 3 S- 0 0 140 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.234 120.4-103.8 -94.0 13.6 49.9 47.6 -21.0 42 42 A G S < S+ 0 0 50 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.575 79.4 133.3 78.9 3.9 49.8 44.0 -19.7 43 43 A K - 0 0 141 1,-0.1 -4,-3.4 -5,-0.0 -1,-0.3 -0.588 61.2-107.3 -84.4 153.7 48.6 45.2 -16.3 44 44 A K B -K 38 0C 148 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.616 25.0-148.7 -83.7 143.1 45.7 43.3 -14.7 45 45 A V > - 0 0 44 -8,-3.1 3,-2.1 -2,-0.3 2,-0.2 -0.947 24.1-114.4-115.2 125.2 42.2 44.9 -14.5 46 46 A K T 3 S+ 0 0 193 -2,-0.5 41,-0.1 1,-0.3 40,-0.1 -0.441 102.0 9.0 -58.3 121.9 40.0 44.0 -11.6 47 47 A G T 3 S- 0 0 8 39,-0.5 41,-2.1 -2,-0.2 42,-1.5 0.411 134.2 -55.0 86.3 -0.7 36.9 42.1 -13.0 48 48 A G < - 0 0 0 -3,-2.1 -11,-0.3 -11,-0.2 -12,-0.1 -0.139 41.4-116.6 109.1 148.6 38.4 41.8 -16.4 49 49 A A S S+ 0 0 29 -13,-3.2 -12,-0.2 1,-0.3 -1,-0.1 0.786 91.7 4.2 -88.3 -32.3 39.8 44.2 -19.0 50 50 A Y S S- 0 0 60 -14,-1.1 -1,-0.3 -5,-0.1 39,-0.2 -0.975 80.5 -90.7-152.1 160.4 37.1 43.5 -21.7 51 51 A P - 0 0 20 0, 0.0 -32,-2.4 0, 0.0 2,-0.3 -0.469 44.0-151.2 -72.4 148.9 33.9 41.5 -22.5 52 52 A L E -bc 19 91B 0 38,-2.2 40,-1.7 -34,-0.2 2,-0.5 -0.926 24.2-170.3-129.3 148.8 34.3 38.0 -23.9 53 53 A V E -bc 20 92B 8 -34,-1.9 -32,-2.4 -2,-0.3 2,-0.6 -0.948 20.1-170.2-132.8 104.7 32.4 35.7 -26.2 54 54 A I E -bc 21 93B 0 38,-2.9 40,-2.3 -2,-0.5 2,-0.7 -0.894 8.9-159.5-103.2 118.5 34.1 32.3 -26.1 55 55 A T E -bc 22 94B 42 -34,-2.6 -32,-2.9 -2,-0.6 2,-0.7 -0.879 12.0-149.7 -97.4 117.8 32.9 29.7 -28.7 56 56 A Y E +bc 23 95B 1 38,-2.8 40,-2.7 -2,-0.7 -32,-0.2 -0.805 24.0 169.7 -91.7 113.9 33.9 26.3 -27.4 57 57 A T + 0 0 63 -34,-3.3 -33,-0.2 -2,-0.7 -1,-0.1 0.376 37.3 120.2-103.1 4.1 34.6 23.9 -30.4 58 58 A G - 0 0 6 -35,-0.6 42,-1.9 41,-0.1 2,-0.4 -0.186 45.9-155.5 -68.8 161.8 36.1 21.1 -28.3 59 59 A N + 0 0 82 -35,-0.3 3,-0.2 40,-0.3 42,-0.2 -0.972 19.6 171.7-141.8 125.2 34.7 17.6 -28.2 60 60 A E >> + 0 0 31 -2,-0.4 4,-2.2 1,-0.1 3,-1.0 -0.072 32.8 132.3-123.6 35.7 35.3 15.0 -25.4 61 61 A D H 3> + 0 0 51 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.858 69.7 62.2 -54.7 -36.7 32.9 12.3 -26.4 62 62 A S H 3> S+ 0 0 91 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.870 107.0 43.1 -57.0 -42.0 35.6 9.7 -25.9 63 63 A L H <> S+ 0 0 77 -3,-1.0 4,-2.9 2,-0.2 -1,-0.2 0.941 116.0 48.4 -69.6 -47.4 35.8 10.6 -22.1 64 64 A I H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.956 113.8 46.0 -58.7 -50.6 32.0 10.8 -21.8 65 65 A N H X S+ 0 0 98 -4,-3.6 4,-0.9 1,-0.2 -1,-0.2 0.822 113.0 49.6 -63.3 -36.1 31.5 7.4 -23.6 66 66 A A H >X S+ 0 0 62 -4,-1.6 3,-0.6 -5,-0.3 4,-0.6 0.947 113.6 47.2 -67.8 -44.4 34.3 5.8 -21.6 67 67 A A H >< S+ 0 0 3 -4,-2.9 3,-1.3 1,-0.2 6,-0.2 0.892 106.0 56.7 -62.3 -43.4 32.7 7.1 -18.4 68 68 A A H 3< S+ 0 0 38 -4,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.778 107.3 51.8 -60.1 -25.6 29.1 6.0 -19.4 69 69 A A H << S+ 0 0 90 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.606 120.2 32.1 -85.6 -17.8 30.6 2.5 -19.7 70 70 A N S X< S+ 0 0 99 -3,-1.3 3,-2.0 -4,-0.6 4,-0.3 -0.501 70.2 166.0-140.6 66.2 32.1 2.6 -16.2 71 71 A I G > S+ 0 0 42 -3,-0.5 3,-1.4 1,-0.3 4,-0.4 0.857 73.5 54.4 -49.6 -45.1 29.8 4.8 -14.1 72 72 A a G 3 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.399 96.6 66.7 -78.6 4.9 31.2 3.8 -10.7 73 73 A G G < S+ 0 0 16 -3,-2.0 -1,-0.3 -6,-0.2 4,-0.2 0.496 86.1 73.5-101.5 -1.9 34.8 4.7 -11.7 74 74 A Q S X S+ 0 0 4 -3,-1.4 51,-2.4 -4,-0.3 3,-1.7 0.911 79.6 64.3 -78.6 -45.7 34.1 8.4 -11.9 75 75 A W T 3 S+ 0 0 58 -4,-0.4 52,-1.5 89,-0.3 53,-0.3 0.781 101.3 50.5 -53.3 -33.4 33.7 9.6 -8.4 76 76 A S T 3 S+ 0 0 64 -4,-0.2 -1,-0.3 50,-0.1 -2,-0.1 0.559 91.8 95.0 -84.4 -9.7 37.3 8.9 -7.3 77 77 A K S < S- 0 0 103 -3,-1.7 50,-0.2 -4,-0.2 51,-0.2 -0.279 91.6 -83.0 -75.7 167.3 38.9 10.7 -10.2 78 78 A D - 0 0 129 1,-0.1 -1,-0.1 46,-0.1 2,-0.1 -0.441 49.2-114.1 -69.5 142.1 40.1 14.3 -10.1 79 79 A P - 0 0 42 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.449 28.2-150.6 -74.1 157.1 37.3 16.8 -10.7 80 80 A R + 0 0 64 44,-0.5 24,-2.8 -2,-0.1 2,-0.3 -0.995 29.9 137.4-132.5 126.8 37.7 18.9 -13.9 81 81 A G E -l 104 0D 18 -2,-0.4 2,-0.5 22,-0.3 24,-0.2 -0.979 47.3-122.7-168.6 151.5 36.3 22.4 -14.3 82 82 A V E -l 105 0D 1 22,-2.7 24,-3.2 -2,-0.3 2,-0.4 -0.849 31.8-145.7 -96.0 130.6 36.9 25.9 -15.6 83 83 A E E -l 106 0D 105 -2,-0.5 2,-0.7 22,-0.2 24,-0.2 -0.858 11.7-166.1-101.1 130.2 36.6 28.5 -12.9 84 84 A I E +l 107 0D 0 22,-3.1 24,-2.4 -2,-0.4 2,-0.5 -0.846 24.2 174.7-116.3 86.9 35.2 31.9 -13.7 85 85 A K E -l 108 0D 96 -2,-0.7 24,-0.2 1,-0.2 -38,-0.1 -0.855 58.1 -16.4-102.5 127.9 36.2 33.8 -10.6 86 86 A E S S+ 0 0 73 22,-2.4 2,-0.6 -2,-0.5 -39,-0.5 0.862 85.0 143.1 48.0 48.6 35.6 37.5 -10.2 87 87 A F + 0 0 0 -3,-0.3 24,-1.5 21,-0.2 -1,-0.2 -0.969 10.2 156.9-117.2 116.2 35.0 38.3 -13.9 88 88 A T + 0 0 62 -41,-2.1 -40,-0.2 -2,-0.6 -1,-0.1 0.383 45.2 92.4-123.0 3.1 32.4 41.0 -14.3 89 89 A K S S- 0 0 82 -42,-1.5 -41,-0.1 -39,-0.2 -1,-0.1 0.675 104.3 -88.5 -71.6 -16.4 32.9 42.6 -17.7 90 90 A G - 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0 0 1 -42,-1.9 2,-0.4 -2,-0.1 20,-0.2 -0.981 12.0-153.9-155.3 155.3 31.0 18.3 -25.8 101 101 A A B -t 120 0E 0 18,-2.5 20,-1.4 -2,-0.3 22,-0.1 -0.996 18.1-167.5-137.2 138.7 32.7 18.7 -22.4 102 102 A N S S+ 0 0 7 -2,-0.4 2,-0.3 18,-0.2 18,-0.1 -0.221 77.9 74.3-112.4 37.0 33.6 16.2 -19.7 103 103 A F S S- 0 0 0 20,-0.1 -22,-0.3 -24,-0.1 2,-0.1 -0.971 75.5-122.2-143.9 158.2 34.4 19.1 -17.4 104 104 A G E -l 81 0D 0 -24,-2.8 -22,-2.7 -2,-0.3 2,-0.5 -0.376 11.5-124.6-101.7 176.5 32.3 21.7 -15.5 105 105 A I E -lm 82 133D 0 27,-2.6 29,-2.1 -24,-0.2 2,-0.6 -0.989 22.4-167.6-121.0 119.0 31.9 25.4 -15.3 106 106 A W E -lm 83 134D 31 -24,-3.2 -22,-3.1 -2,-0.5 2,-0.6 -0.937 2.6-164.5-114.6 111.3 32.3 26.9 -11.8 107 107 A I E +lm 84 135D 1 27,-3.3 29,-2.7 -2,-0.6 2,-0.4 -0.865 11.6 177.5 -99.2 122.4 31.2 30.5 -11.5 108 108 A K E -lm 85 136D 58 -24,-2.4 -22,-2.4 -2,-0.6 -21,-0.2 -0.980 62.9 -22.6-134.2 122.1 32.4 32.3 -8.4 109 109 A K S S+ 0 0 103 27,-2.5 2,-0.2 -2,-0.4 29,-0.2 0.844 100.2 125.6 49.0 43.4 31.8 35.9 -7.5 110 110 A S - 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