==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-NOV-05 2EWE . COMPND 2 MOLECULE: PECTATE LYASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR R.D.SCAVETTA,F.JURNAK . 352 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 113 32.1 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 . 47 13.4 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 . 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 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 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 0 134 0, 0.0 9,-0.0 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 164.9 17.7 42.0 -25.8 2 2 A T + 0 0 70 7,-0.1 8,-1.2 9,-0.1 2,-0.4 0.192 360.0 139.4-113.0 14.1 18.1 40.3 -22.5 3 3 A D B +A 9 0A 108 6,-0.2 6,-0.1 1,-0.2 5,-0.0 -0.456 15.3 164.4 -65.9 114.2 14.8 38.5 -22.4 4 4 A T - 0 0 5 4,-0.7 -1,-0.2 -2,-0.4 3,-0.1 0.468 55.9-114.0-107.7 -5.5 15.3 35.0 -20.9 5 5 A G S S+ 0 0 9 1,-0.3 2,-0.2 316,-0.1 4,-0.1 0.638 92.0 60.2 78.6 16.3 11.6 34.3 -20.3 6 6 A G S S- 0 0 5 2,-0.6 -2,-0.4 173,-0.1 -1,-0.3 -0.792 109.9 -63.8-152.7-168.3 12.5 34.3 -16.6 7 7 A Y S S+ 0 0 29 171,-0.5 2,-0.3 -2,-0.2 172,-0.1 0.774 105.6 85.0 -61.1 -28.7 13.8 36.3 -13.7 8 8 A A - 0 0 1 133,-0.2 -4,-0.7 198,-0.1 -2,-0.6 -0.560 57.7-170.6 -77.5 134.9 17.3 36.5 -15.3 9 9 A A B +A 3 0A 47 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.2 -0.862 34.7 128.1-126.4 94.4 17.7 39.4 -17.8 10 10 A T - 0 0 2 -8,-1.2 3,-0.1 -2,-0.5 130,-0.0 -0.999 49.3-163.6-151.7 151.1 21.0 38.9 -19.5 11 11 A A > - 0 0 25 1,-0.3 3,-1.7 -2,-0.3 2,-0.2 0.310 40.1-151.6-109.9 3.0 22.7 38.6 -23.0 12 12 A G T 3 - 0 0 1 1,-0.3 -1,-0.3 128,-0.2 80,-0.3 -0.412 67.8 -18.6 62.9-128.2 25.8 37.0 -21.5 13 13 A G T 3 S+ 0 0 0 39,-0.2 2,-2.4 77,-0.2 -1,-0.3 0.570 113.5 97.2 -86.9 -11.8 28.8 37.8 -23.6 14 14 A N < + 0 0 110 -3,-1.7 2,-0.2 38,-0.1 -1,-0.2 -0.365 65.1 105.4 -77.5 62.6 26.8 38.8 -26.6 15 15 A V S > S- 0 0 63 -2,-2.4 3,-1.4 75,-0.1 2,-0.1 -0.741 81.7 -59.0-130.2 176.4 27.0 42.5 -25.8 16 16 A T T 3 S+ 0 0 141 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.339 120.2 19.8 -61.5 136.2 28.9 45.5 -27.1 17 17 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.2 33,-0.1 -3,-0.1 0.519 89.7 153.6 82.6 8.2 32.7 45.2 -27.0 18 18 A A < - 0 0 36 -3,-1.4 2,-0.4 32,-0.1 34,-0.2 -0.301 35.8-143.2 -72.5 151.8 32.6 41.5 -26.8 19 19 A V E -b 52 0B 49 32,-2.5 34,-2.2 -2,-0.0 2,-0.5 -0.951 11.4-141.5-117.7 133.0 35.4 39.2 -27.9 20 20 A S E +b 53 0B 92 -2,-0.4 2,-0.4 32,-0.2 34,-0.2 -0.828 22.3 176.4 -99.4 129.8 34.7 35.8 -29.6 21 21 A K E -b 54 0B 101 32,-2.3 34,-2.6 -2,-0.5 2,-0.5 -0.980 21.9-141.2-132.7 142.7 36.9 32.8 -28.9 22 22 A T E -b 55 0B 87 -2,-0.4 2,-0.5 32,-0.2 34,-0.2 -0.886 14.5-162.6-105.0 130.6 36.8 29.1 -30.0 23 23 A A E -b 56 0B 0 32,-2.8 34,-2.9 -2,-0.5 35,-0.7 -0.973 12.1-173.1-115.9 120.9 37.7 26.5 -27.4 24 24 A T S S+ 0 0 84 -2,-0.5 35,-0.3 32,-0.2 2,-0.3 0.456 73.5 7.4 -89.3 -2.7 38.5 23.0 -28.7 25 25 A S S > S- 0 0 39 33,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.957 85.1 -88.9-163.7 176.0 38.7 21.6 -25.1 26 26 A M H > S+ 0 0 31 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.896 123.1 52.3 -62.9 -45.7 38.2 22.2 -21.4 27 27 A Q H > S+ 0 0 106 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.862 105.9 54.9 -60.4 -37.2 41.7 23.6 -21.0 28 28 A D H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.891 107.5 50.0 -63.4 -39.1 41.2 26.0 -23.9 29 29 A I H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.963 112.4 47.4 -62.1 -49.1 38.1 27.3 -22.1 30 30 A V H X S+ 0 0 43 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.924 115.4 44.7 -56.2 -48.2 40.1 27.7 -18.9 31 31 A N H X S+ 0 0 80 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.869 110.7 54.6 -66.3 -37.4 43.0 29.5 -20.8 32 32 A I H X S+ 0 0 24 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.910 109.8 45.9 -64.6 -41.6 40.6 31.7 -22.8 33 33 A I H < S+ 0 0 7 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.889 112.7 51.7 -68.8 -38.6 38.9 33.0 -19.6 34 34 A D H >< S+ 0 0 94 -4,-1.9 3,-1.7 -5,-0.2 4,-0.3 0.961 111.1 46.3 -60.6 -50.5 42.4 33.5 -18.0 35 35 A A H >< S+ 0 0 53 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.824 105.1 62.3 -62.5 -31.6 43.6 35.5 -21.0 36 36 A A T 3< S+ 0 0 1 -4,-1.8 13,-2.8 1,-0.3 14,-0.7 0.508 93.7 63.7 -75.0 -4.9 40.3 37.5 -21.0 37 37 A R T < S+ 0 0 36 -3,-1.7 8,-2.8 -4,-0.3 2,-0.3 0.523 90.0 85.1 -92.7 -7.3 41.1 38.9 -17.5 38 38 A L B < -K 44 0C 72 -3,-1.4 6,-0.2 -4,-0.3 11,-0.1 -0.762 68.0-140.7-102.7 142.0 44.2 40.7 -18.8 39 39 A D > - 0 0 52 4,-2.9 3,-2.0 -2,-0.3 -1,-0.1 -0.083 47.0 -78.4 -82.4-174.1 44.5 44.2 -20.3 40 40 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.759 134.2 50.3 -57.9 -24.0 46.7 45.2 -23.2 41 41 A N T 3 S- 0 0 152 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.276 120.4-106.4 -98.5 9.2 49.6 45.4 -20.8 42 42 A G S < S+ 0 0 47 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.629 75.9 136.8 76.9 11.9 49.0 42.0 -19.2 43 43 A K - 0 0 144 1,-0.1 -4,-2.9 0, 0.0 -1,-0.3 -0.749 59.9-105.0 -95.5 142.3 47.6 43.4 -16.0 44 44 A K B -K 38 0C 134 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.2 -0.327 27.2-153.2 -65.2 140.4 44.5 41.9 -14.5 45 45 A V > - 0 0 40 -8,-2.8 3,-1.9 -6,-0.0 2,-0.2 -0.980 25.9-112.5-117.2 126.1 41.2 43.7 -14.8 46 46 A K T 3 S+ 0 0 196 -2,-0.5 41,-0.1 1,-0.3 40,-0.1 -0.402 100.9 10.7 -61.1 129.1 38.6 43.1 -12.1 47 47 A G B 3 S-l 87 0D 7 39,-0.5 42,-1.5 -2,-0.2 41,-1.3 0.432 135.0 -58.8 81.7 2.1 35.6 41.2 -13.3 48 48 A G < - 0 0 0 -3,-1.9 -11,-0.3 -11,-0.2 -14,-0.1 -0.109 50.9-101.0 104.3 152.9 37.3 40.5 -16.6 49 49 A A S S- 0 0 26 -13,-2.8 -12,-0.2 1,-0.2 -1,-0.1 0.797 94.2 -13.4 -80.9 -26.7 38.8 42.8 -19.2 50 50 A Y S S- 0 0 71 -14,-0.7 -1,-0.2 -5,-0.1 39,-0.2 -0.976 84.7 -70.4-165.8 164.7 35.9 42.6 -21.7 51 51 A P - 0 0 15 0, 0.0 -32,-2.5 0, 0.0 2,-0.4 -0.346 51.1-154.8 -63.1 152.0 32.7 40.6 -22.6 52 52 A L E -bc 19 91B 1 38,-2.4 40,-2.3 -34,-0.2 2,-0.5 -0.989 22.5-170.0-137.7 139.0 33.4 37.1 -23.9 53 53 A V E -bc 20 92B 12 -34,-2.2 -32,-2.3 -2,-0.4 2,-0.6 -0.960 17.2-168.0-126.6 106.3 31.6 34.6 -26.2 54 54 A I E -bc 21 93B 0 38,-3.2 40,-2.5 -2,-0.5 2,-0.7 -0.882 7.6-159.6-101.5 116.3 33.3 31.2 -26.1 55 55 A T E -bc 22 94B 47 -34,-2.6 -32,-2.8 -2,-0.6 2,-0.5 -0.846 12.7-152.1 -94.0 114.8 32.2 28.7 -28.7 56 56 A Y E +bc 23 95B 0 38,-2.3 40,-2.8 -2,-0.7 -32,-0.2 -0.800 23.1 170.0 -91.7 122.2 33.2 25.2 -27.4 57 57 A T + 0 0 64 -34,-2.9 -33,-0.2 -2,-0.5 -1,-0.1 0.314 37.1 119.6-112.0 3.5 33.9 22.6 -30.2 58 58 A G - 0 0 6 -35,-0.7 42,-1.8 41,-0.1 2,-0.4 -0.262 46.8-154.5 -70.1 159.9 35.4 19.8 -28.1 59 59 A N + 0 0 85 -35,-0.3 3,-0.2 40,-0.3 42,-0.2 -0.977 19.1 172.8-138.7 120.4 33.9 16.4 -27.9 60 60 A E >> + 0 0 25 -2,-0.4 4,-2.3 40,-0.2 3,-0.6 -0.135 33.6 132.6-118.5 36.6 34.4 14.1 -24.9 61 61 A D H 3> + 0 0 48 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.871 70.0 56.9 -54.5 -42.5 32.0 11.3 -26.0 62 62 A S H 3> S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 109.7 45.0 -60.7 -35.9 34.5 8.6 -25.2 63 63 A L H <> S+ 0 0 78 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.894 115.5 47.5 -73.1 -39.4 34.9 9.8 -21.7 64 64 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.921 114.8 46.9 -65.8 -42.2 31.1 10.1 -21.4 65 65 A N H X S+ 0 0 95 -4,-3.6 4,-1.2 2,-0.2 -2,-0.2 0.857 111.3 48.8 -69.3 -40.2 30.6 6.6 -22.9 66 66 A A H < S+ 0 0 64 -4,-2.0 4,-0.4 -5,-0.2 3,-0.3 0.917 111.9 51.0 -66.4 -42.0 33.2 4.9 -20.7 67 67 A A H >< S+ 0 0 3 -4,-2.0 3,-1.8 1,-0.2 6,-0.3 0.931 107.6 51.7 -59.8 -47.4 31.7 6.5 -17.6 68 68 A A H >< S+ 0 0 39 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.776 105.7 58.0 -61.2 -26.0 28.2 5.3 -18.6 69 69 A A T 3< S+ 0 0 87 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.521 122.7 21.7 -82.4 -8.0 29.7 1.8 -19.0 70 70 A N T X S+ 0 0 104 -3,-1.8 3,-1.9 -4,-0.4 4,-0.3 -0.363 72.0 166.0-155.4 65.6 30.9 1.8 -15.3 71 71 A I G X S+ 0 0 29 -3,-0.6 3,-1.7 1,-0.3 4,-0.5 0.819 72.2 61.6 -56.7 -37.7 28.8 4.4 -13.4 72 72 A a G 3 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.508 95.8 63.6 -70.0 -3.9 29.8 3.2 -9.9 73 73 A G G < S+ 0 0 18 -3,-1.9 4,-0.3 -6,-0.3 -1,-0.3 0.578 90.0 71.9 -93.7 -8.8 33.4 4.1 -10.8 74 74 A Q S X S+ 0 0 2 -3,-1.7 51,-2.8 -4,-0.3 3,-1.6 0.890 79.2 66.0 -73.6 -45.6 32.6 7.8 -11.2 75 75 A W T 3 S+ 0 0 62 -4,-0.5 52,-1.8 1,-0.3 53,-0.2 0.742 101.9 48.3 -51.7 -33.8 31.9 9.1 -7.6 76 76 A S T 3 S+ 0 0 63 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.562 92.6 97.0 -86.7 -11.3 35.4 8.6 -6.3 77 77 A K S < S- 0 0 107 -3,-1.6 51,-0.2 -4,-0.3 50,-0.2 -0.208 90.2 -81.7 -74.8 168.1 37.2 10.3 -9.3 78 78 A D - 0 0 125 1,-0.1 -1,-0.1 46,-0.1 2,-0.1 -0.482 47.5-119.3 -68.7 136.1 38.3 13.9 -9.3 79 79 A P - 0 0 35 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.495 26.8-150.2 -73.0 152.9 35.5 16.3 -10.2 80 80 A R + 0 0 73 44,-0.5 24,-2.6 -2,-0.1 2,-0.3 -0.996 27.3 150.8-125.7 128.9 36.2 18.3 -13.4 81 81 A G E -m 104 0E 15 -2,-0.4 2,-0.6 22,-0.3 24,-0.2 -0.963 43.7-129.0-162.7 138.8 34.8 21.7 -14.0 82 82 A V E -m 105 0E 1 22,-3.1 24,-3.0 -2,-0.3 2,-0.4 -0.802 35.5-144.5 -84.7 121.5 35.4 25.0 -15.7 83 83 A E E -m 106 0E 84 -2,-0.6 2,-0.5 22,-0.2 24,-0.2 -0.716 16.4-167.0 -92.8 135.8 35.1 27.7 -13.1 84 84 A I E +m 107 0E 0 22,-3.0 24,-2.5 -2,-0.4 2,-0.4 -0.835 26.0 170.8-119.9 85.0 33.6 31.1 -14.0 85 85 A K E -m 108 0E 77 -2,-0.5 24,-0.2 1,-0.2 25,-0.1 -0.875 59.8 -13.8-105.7 130.9 34.6 33.1 -10.9 86 86 A E S S+ 0 0 88 22,-1.9 2,-0.6 -2,-0.4 -39,-0.5 0.882 85.7 142.8 47.5 47.0 34.3 36.8 -10.5 87 87 A F B +l 47 0D 0 -3,-0.3 24,-1.3 21,-0.3 -1,-0.2 -0.956 9.0 153.9-117.1 106.7 33.7 37.4 -14.2 88 88 A T + 0 0 61 -41,-1.3 -40,-0.2 -2,-0.6 -1,-0.1 0.323 45.4 90.6-116.8 2.6 31.1 40.1 -14.5 89 89 A K S S- 0 0 76 -42,-1.5 -1,-0.1 -39,-0.2 -41,-0.1 0.729 107.5 -86.2 -73.2 -19.1 31.8 41.7 -17.9 90 90 A G - 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