==== 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 1O8D . 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) . 13352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 74.4 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 . 0 0.0 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 . 50 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.8 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 0 131 0, 0.0 9,-0.1 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 134.0 18.3 42.7 -25.5 2 2 A T + 0 0 81 7,-0.1 8,-0.7 9,-0.1 2,-0.6 0.161 360.0 127.8-111.5 14.2 18.6 41.6 -21.9 3 3 A D B +A 9 0A 108 6,-0.2 6,-0.1 1,-0.1 4,-0.1 -0.646 20.5 161.9 -81.6 116.4 15.4 39.6 -21.9 4 4 A T - 0 0 5 4,-0.6 -1,-0.1 -2,-0.6 3,-0.1 0.384 58.8-111.1-109.8 -2.0 15.8 36.0 -20.6 5 5 A G S S+ 0 0 8 1,-0.3 2,-0.2 316,-0.1 315,-0.1 0.655 93.6 52.8 78.3 16.5 12.1 35.3 -19.9 6 6 A G S S- 0 0 6 2,-0.5 -2,-0.4 173,-0.1 -1,-0.3 -0.862 109.7 -56.8-159.5-168.0 13.0 35.3 -16.2 7 7 A Y S S+ 0 0 30 171,-0.4 2,-0.3 -2,-0.2 172,-0.2 0.756 104.1 81.7 -57.3 -35.3 14.6 37.1 -13.3 8 8 A A - 0 0 1 133,-0.2 -4,-0.6 198,-0.1 2,-0.5 -0.566 58.9-169.4 -75.2 136.2 18.0 37.4 -14.9 9 9 A A B +A 3 0A 47 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.2 -0.915 32.9 128.6-127.1 100.0 18.3 40.3 -17.3 10 10 A T - 0 0 3 -8,-0.7 3,-0.1 -2,-0.5 -2,-0.0 -0.996 49.8-160.0-154.5 151.5 21.6 40.0 -19.2 11 11 A A > - 0 0 24 1,-0.3 3,-1.9 -2,-0.3 2,-0.2 0.323 39.6-154.2-108.4 1.7 23.1 40.0 -22.7 12 12 A G T 3 - 0 0 2 1,-0.3 -1,-0.3 128,-0.2 80,-0.2 -0.401 67.2 -18.4 62.9-125.3 26.2 38.3 -21.4 13 13 A G T 3 S+ 0 0 0 -2,-0.2 2,-2.2 77,-0.2 -1,-0.3 0.507 112.5 99.3 -92.0 -7.7 29.2 39.1 -23.6 14 14 A N < + 0 0 114 -3,-1.9 2,-0.2 77,-0.1 -1,-0.1 -0.484 62.0 106.8 -79.5 66.4 27.0 40.2 -26.5 15 15 A V S > S- 0 0 67 -2,-2.2 3,-1.4 75,-0.1 2,-0.2 -0.675 82.4 -57.2-129.3-177.7 27.4 43.9 -25.7 16 16 A T T 3 S+ 0 0 143 1,-0.2 -1,-0.0 -2,-0.2 -2,-0.0 -0.482 122.4 17.9 -68.8 132.3 29.4 46.7 -27.3 17 17 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.2 -2,-0.2 -3,-0.1 0.471 85.1 162.5 86.9 2.0 33.1 46.1 -27.6 18 18 A A < - 0 0 35 -3,-1.4 2,-0.5 32,-0.1 -1,-0.2 -0.219 31.7-140.9 -56.6 141.7 32.8 42.3 -27.2 19 19 A V E -b 52 0B 47 32,-2.0 34,-1.9 -6,-0.1 2,-0.4 -0.944 11.6-141.2-109.9 121.1 35.7 40.3 -28.4 20 20 A S E +b 53 0B 95 -2,-0.5 2,-0.3 32,-0.2 34,-0.2 -0.723 25.1 175.4 -85.1 133.5 34.9 37.0 -30.1 21 21 A K E -b 54 0B 85 32,-2.4 34,-2.7 -2,-0.4 2,-0.5 -0.986 24.3-139.1-138.1 143.7 37.2 34.1 -29.4 22 22 A T E -b 55 0B 91 -2,-0.3 2,-0.5 32,-0.2 34,-0.2 -0.897 15.3-162.2-104.3 130.5 37.1 30.4 -30.4 23 23 A A E +b 56 0B 0 32,-3.4 34,-3.4 -2,-0.5 35,-0.8 -0.969 12.9 179.3-115.3 122.2 38.0 27.8 -27.8 24 24 A T + 0 0 82 -2,-0.5 35,-0.3 32,-0.2 2,-0.3 0.536 69.5 17.8 -97.8 -9.6 38.9 24.4 -29.0 25 25 A S S > S- 0 0 39 33,-0.1 4,-1.5 1,-0.1 33,-0.1 -0.936 83.7 -99.0-151.5 172.4 39.6 22.9 -25.6 26 26 A M H > S+ 0 0 29 -2,-0.3 4,-1.7 1,-0.2 3,-0.2 0.926 122.6 55.5 -61.9 -43.2 38.9 23.4 -21.9 27 27 A Q H > S+ 0 0 103 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.867 101.3 56.7 -58.9 -40.0 42.4 24.8 -21.6 28 28 A D H > S+ 0 0 48 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.915 104.1 53.2 -58.7 -43.7 41.7 27.4 -24.3 29 29 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.2 5,-0.2 0.913 110.4 47.8 -57.6 -44.0 38.7 28.7 -22.4 30 30 A V H X S+ 0 0 49 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.951 114.5 45.1 -62.7 -49.1 40.9 29.2 -19.3 31 31 A N H X S+ 0 0 88 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.893 112.1 52.0 -62.8 -40.6 43.6 31.0 -21.2 32 32 A I H X S+ 0 0 23 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.915 111.3 46.3 -63.1 -43.1 41.1 33.2 -23.1 33 33 A I H < S+ 0 0 6 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.901 111.1 53.7 -67.0 -37.6 39.4 34.3 -19.8 34 34 A D H >< S+ 0 0 83 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.875 109.7 46.6 -64.9 -37.0 42.8 34.9 -18.3 35 35 A A H >< S+ 0 0 44 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.789 99.3 69.6 -75.0 -27.5 43.9 37.2 -21.2 36 36 A A T 3< S+ 0 0 0 -4,-1.6 13,-2.6 1,-0.3 14,-1.1 0.387 89.6 65.5 -71.6 4.4 40.6 39.1 -21.0 37 37 A R T < S+ 0 0 38 -3,-0.9 8,-2.4 11,-0.3 2,-0.4 0.466 84.0 91.6-102.4 -5.5 41.8 40.5 -17.7 38 38 A L B < -K 44 0C 66 -3,-1.8 6,-0.2 6,-0.2 11,-0.1 -0.772 63.9-147.2 -98.3 133.5 44.6 42.5 -19.3 39 39 A D > - 0 0 58 4,-2.8 3,-2.2 -2,-0.4 -2,-0.1 -0.155 45.5 -79.5 -82.7-175.9 44.3 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 0.827 133.4 50.6 -57.7 -28.6 46.3 47.6 -23.4 41 41 A N T 3 S- 0 0 138 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.298 119.7-107.2 -93.9 12.2 49.3 48.0 -21.2 42 42 A G S < S+ 0 0 49 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.599 77.0 132.8 76.5 8.1 49.2 44.4 -19.9 43 43 A K - 0 0 143 1,-0.1 -4,-2.8 0, 0.0 -1,-0.3 -0.756 61.2-106.7 -93.7 143.8 48.0 45.3 -16.5 44 44 A K B -K 38 0C 144 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.329 26.5-148.7 -67.6 148.1 45.1 43.4 -14.9 45 45 A V > - 0 0 52 -8,-2.4 3,-2.0 -2,-0.0 2,-0.3 -0.979 22.0-115.2-121.3 126.7 41.7 45.0 -14.6 46 46 A K T 3 S+ 0 0 162 -2,-0.4 41,-0.1 1,-0.3 40,-0.1 -0.473 103.2 11.4 -61.8 121.7 39.4 44.1 -11.7 47 47 A G B 3 S-l 87 0D 2 39,-0.6 42,-1.6 -2,-0.3 41,-1.5 0.352 133.5 -61.5 90.8 -3.6 36.3 42.4 -13.1 48 48 A G < - 0 0 2 -3,-2.0 -11,-0.3 -11,-0.2 -12,-0.1 -0.072 39.8-114.9 105.9 150.8 37.9 42.0 -16.6 49 49 A A S S+ 0 0 27 -13,-2.6 -12,-0.2 1,-0.2 -1,-0.1 0.757 90.2 5.4 -91.5 -30.2 39.2 44.4 -19.2 50 50 A Y S S- 0 0 60 -14,-1.1 -1,-0.2 -11,-0.1 39,-0.2 -0.991 79.4 -94.1-153.8 156.7 36.7 43.6 -22.0 51 51 A P - 0 0 12 0, 0.0 -32,-2.0 0, 0.0 2,-0.3 -0.363 41.1-154.6 -70.0 155.0 33.5 41.6 -22.8 52 52 A L E -bc 19 91B 0 38,-2.2 40,-1.8 -34,-0.2 2,-0.5 -0.983 24.3-168.2-136.7 145.9 33.8 38.2 -24.4 53 53 A V E -bc 20 92B 16 -34,-1.9 -32,-2.4 -2,-0.3 2,-0.6 -0.982 23.0-166.6-128.7 105.7 31.8 35.8 -26.5 54 54 A I E -bc 21 93B 0 38,-3.3 40,-2.7 -2,-0.5 2,-0.7 -0.920 7.3-159.2-100.9 121.0 33.6 32.4 -26.4 55 55 A T E -bc 22 94B 50 -34,-2.7 -32,-3.4 -2,-0.6 2,-0.7 -0.896 10.2-152.6 -99.6 114.8 32.6 29.8 -28.9 56 56 A Y E +bc 23 95B 1 38,-2.3 40,-2.8 -2,-0.7 -32,-0.2 -0.795 23.0 169.1 -92.0 119.1 33.6 26.4 -27.7 57 57 A T + 0 0 60 -34,-3.4 -33,-0.2 -2,-0.7 -1,-0.1 0.425 36.6 121.1-106.8 -0.7 34.2 24.0 -30.5 58 58 A G - 0 0 7 -35,-0.8 42,-1.7 41,-0.1 2,-0.4 -0.109 46.1-154.8 -61.7 161.4 35.8 21.2 -28.5 59 59 A N + 0 0 82 -35,-0.3 3,-0.2 40,-0.3 42,-0.2 -0.972 18.9 173.2-142.6 122.0 34.4 17.6 -28.4 60 60 A E >> + 0 0 30 -2,-0.4 4,-2.3 1,-0.1 3,-0.6 -0.124 33.6 131.6-121.2 37.7 35.0 15.2 -25.5 61 61 A D H 3> + 0 0 49 1,-0.3 4,-3.6 2,-0.2 5,-0.3 0.859 69.8 61.2 -57.6 -37.3 32.7 12.4 -26.5 62 62 A S H 3> S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.898 107.7 43.4 -56.6 -43.0 35.5 9.9 -25.9 63 63 A L H <> S+ 0 0 80 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.927 115.9 48.4 -69.0 -43.3 35.6 10.9 -22.3 64 64 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.938 112.4 47.8 -63.3 -47.1 31.9 10.9 -22.0 65 65 A N H X S+ 0 0 103 -4,-3.6 4,-1.1 1,-0.2 -1,-0.2 0.820 112.2 49.2 -64.8 -34.3 31.4 7.5 -23.7 66 66 A A H < S+ 0 0 65 -4,-1.6 4,-0.3 -5,-0.3 -1,-0.2 0.870 111.8 49.5 -71.8 -37.5 34.1 5.9 -21.5 67 67 A A H >< S+ 0 0 3 -4,-2.0 3,-1.5 1,-0.2 6,-0.2 0.910 106.0 55.4 -66.2 -43.7 32.5 7.4 -18.4 68 68 A A H >< S+ 0 0 39 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.837 105.7 53.4 -58.0 -35.5 29.0 6.1 -19.3 69 69 A A T 3< S+ 0 0 90 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.537 122.6 27.9 -79.2 -8.9 30.4 2.6 -19.6 70 70 A N T X S+ 0 0 104 -3,-1.5 3,-1.5 -4,-0.3 -1,-0.3 -0.474 71.0 164.9-149.8 67.0 31.9 2.7 -16.1 71 71 A I G X S+ 0 0 32 -3,-0.6 3,-1.2 1,-0.3 4,-0.4 0.808 71.6 58.6 -60.9 -31.7 29.8 5.1 -14.1 72 72 A a G 3 S+ 0 0 55 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.486 94.7 65.4 -78.6 -3.3 31.1 4.1 -10.6 73 73 A G G < S+ 0 0 20 -3,-1.5 -1,-0.2 -6,-0.2 -2,-0.2 0.518 89.3 72.2 -93.5 -3.5 34.7 4.9 -11.5 74 74 A Q S X S+ 0 0 5 -3,-1.2 51,-2.6 -4,-0.3 3,-1.6 0.858 78.9 66.3 -78.6 -41.7 33.8 8.6 -11.9 75 75 A W T 3 S+ 0 0 61 -4,-0.4 52,-1.6 1,-0.3 53,-0.3 0.784 100.7 48.9 -56.6 -33.8 33.2 9.8 -8.3 76 76 A S T 3 S+ 0 0 66 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.430 91.3 99.1 -88.1 -0.0 36.8 9.4 -7.1 77 77 A K S < S- 0 0 107 -3,-1.6 51,-0.2 1,-0.1 50,-0.2 -0.331 89.0 -83.4 -81.6 168.0 38.5 11.2 -10.0 78 78 A D - 0 0 130 1,-0.1 -1,-0.1 -2,-0.1 48,-0.1 -0.455 50.3-112.7 -68.0 139.9 39.7 14.7 -9.9 79 79 A P - 0 0 42 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.440 29.5-148.5 -72.2 153.6 36.9 17.2 -10.7 80 80 A R + 0 0 70 44,-0.5 24,-2.8 51,-0.1 2,-0.3 -0.987 32.2 133.8-126.8 125.4 37.2 19.0 -14.0 81 81 A G E -m 104 0E 17 -2,-0.4 2,-0.5 22,-0.3 24,-0.2 -0.994 49.8-120.4-169.0 157.1 35.9 22.5 -14.6 82 82 A V E -m 105 0E 1 22,-2.6 24,-2.8 -2,-0.3 2,-0.4 -0.908 32.8-147.2-101.2 123.6 36.4 26.0 -15.9 83 83 A E E -m 106 0E 104 -2,-0.5 2,-0.7 22,-0.2 24,-0.2 -0.804 10.8-164.9 -97.9 130.7 36.1 28.7 -13.2 84 84 A I E +m 107 0E 0 22,-3.0 24,-2.5 -2,-0.4 2,-0.5 -0.841 24.4 175.3-113.7 87.8 34.7 32.1 -14.0 85 85 A K E -m 108 0E 65 -2,-0.7 24,-0.2 1,-0.2 -38,-0.1 -0.860 57.2 -15.9-105.8 124.4 35.7 34.0 -11.0 86 86 A E S S+ 0 0 65 22,-2.3 -39,-0.6 -2,-0.5 2,-0.5 0.928 83.9 143.6 52.2 52.6 35.1 37.8 -10.5 87 87 A F B +l 47 0D 0 -3,-0.3 24,-1.5 21,-0.2 -1,-0.2 -0.944 10.1 158.0-123.8 108.5 34.5 38.6 -14.2 88 88 A T + 0 0 67 -41,-1.5 -40,-0.2 -2,-0.5 -1,-0.1 0.375 48.6 91.7-111.7 -0.8 31.8 41.2 -14.4 89 89 A K S S- 0 0 103 -42,-1.6 -1,-0.1 -39,-0.2 -41,-0.1 0.735 102.9 -90.1 -68.2 -23.8 32.5 42.6 -17.9 90 90 A G - 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