==== 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 1O8I . 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) . 13524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 73.6 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 . 48 13.6 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 . 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 0 1 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 0 134 0, 0.0 9,-0.0 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 123.3 18.5 43.2 -25.3 2 2 A T + 0 0 75 7,-0.1 8,-0.7 9,-0.1 2,-0.6 0.083 360.0 134.7-124.9 21.5 18.8 41.6 -21.9 3 3 A D B +A 9 0A 110 6,-0.2 6,-0.1 1,-0.2 4,-0.1 -0.637 15.7 162.2 -81.0 117.2 15.6 39.5 -21.8 4 4 A T - 0 0 6 4,-0.6 -1,-0.2 -2,-0.6 3,-0.1 0.409 59.0-111.4-109.1 -4.9 16.1 35.9 -20.6 5 5 A G S S+ 0 0 8 1,-0.3 2,-0.2 316,-0.1 4,-0.1 0.631 93.3 56.7 80.6 15.4 12.5 35.2 -19.8 6 6 A G S S- 0 0 5 2,-0.5 -2,-0.4 173,-0.1 -1,-0.3 -0.850 109.3 -60.8-156.3-169.4 13.3 35.2 -16.1 7 7 A Y S S+ 0 0 31 171,-0.4 2,-0.3 -2,-0.2 172,-0.2 0.752 104.0 84.5 -58.9 -30.2 14.8 37.1 -13.3 8 8 A A - 0 0 1 133,-0.1 -4,-0.6 198,-0.1 2,-0.5 -0.599 57.7-170.4 -77.7 133.9 18.3 37.4 -14.8 9 9 A A B +A 3 0A 49 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.2 -0.891 33.7 127.9-124.7 96.2 18.6 40.4 -17.3 10 10 A T - 0 0 3 -8,-0.7 3,-0.1 -2,-0.5 -2,-0.0 -0.996 48.4-162.6-151.4 151.1 21.9 40.0 -19.1 11 11 A A > - 0 0 25 -2,-0.3 3,-1.8 1,-0.3 2,-0.2 0.370 39.2-155.1-108.9 -3.9 23.4 39.9 -22.6 12 12 A G T 3 - 0 0 2 1,-0.3 -1,-0.3 128,-0.2 80,-0.3 -0.442 67.1 -16.0 67.2-129.8 26.6 38.3 -21.3 13 13 A G T 3 S+ 0 0 0 -2,-0.2 2,-1.6 77,-0.2 -1,-0.3 0.447 113.7 97.3 -87.0 -2.0 29.6 39.0 -23.5 14 14 A N < + 0 0 111 -3,-1.8 2,-0.2 77,-0.1 -1,-0.2 -0.370 62.3 107.4 -84.7 56.3 27.3 40.1 -26.4 15 15 A V S > S- 0 0 71 -2,-1.6 3,-1.0 75,-0.1 2,-0.3 -0.468 81.7 -60.5-115.7-170.3 27.7 43.8 -25.5 16 16 A T T 3 S+ 0 0 140 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.595 120.4 19.3 -80.4 134.5 29.6 46.6 -27.2 17 17 A G T 3 S+ 0 0 60 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.572 86.5 161.3 84.5 10.3 33.3 46.2 -27.6 18 18 A A < - 0 0 35 -3,-1.0 2,-0.5 32,-0.1 -1,-0.2 -0.362 32.4-141.3 -67.2 141.1 33.1 42.4 -27.1 19 19 A V E -b 52 0B 49 32,-2.6 34,-1.8 -2,-0.1 2,-0.5 -0.930 11.8-145.1-107.6 123.2 36.1 40.3 -28.2 20 20 A S E +b 53 0B 92 -2,-0.5 2,-0.3 32,-0.2 34,-0.2 -0.758 22.7 173.5 -92.8 130.4 35.3 37.0 -29.9 21 21 A K E -b 54 0B 91 32,-2.1 34,-2.7 -2,-0.5 2,-0.5 -0.949 26.0-135.1-134.0 150.0 37.6 34.1 -29.3 22 22 A T E -b 55 0B 92 -2,-0.3 2,-0.5 32,-0.2 34,-0.2 -0.928 16.5-162.1-106.8 126.6 37.5 30.4 -30.3 23 23 A A E -b 56 0B 0 32,-2.6 34,-3.0 -2,-0.5 35,-0.6 -0.948 10.8-177.6-109.3 127.8 38.4 27.8 -27.5 24 24 A T + 0 0 82 -2,-0.5 35,-0.3 32,-0.2 2,-0.3 0.430 69.4 14.5-103.8 -0.2 39.3 24.3 -28.8 25 25 A S S > S- 0 0 39 33,-0.1 4,-1.5 1,-0.1 3,-0.2 -0.965 85.6 -94.2-160.6 171.6 39.8 22.8 -25.4 26 26 A M H > S+ 0 0 33 -2,-0.3 4,-1.8 1,-0.2 3,-0.2 0.900 123.1 55.4 -61.6 -39.3 39.3 23.4 -21.7 27 27 A Q H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.866 101.7 56.1 -64.3 -35.6 42.7 24.9 -21.4 28 28 A D H > S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.891 105.8 52.0 -62.9 -39.1 42.0 27.5 -24.2 29 29 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.931 110.4 48.1 -61.4 -46.7 39.0 28.7 -22.2 30 30 A V H X S+ 0 0 55 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.948 115.5 44.0 -58.8 -49.9 41.2 29.1 -19.1 31 31 A N H X S+ 0 0 87 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.861 111.3 54.3 -64.1 -38.8 43.9 31.0 -21.1 32 32 A I H X S+ 0 0 23 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.903 110.3 45.6 -63.3 -42.4 41.4 33.2 -23.0 33 33 A I H < S+ 0 0 7 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.890 111.3 53.0 -68.7 -39.5 39.8 34.4 -19.7 34 34 A D H >< S+ 0 0 86 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.901 109.1 49.1 -63.6 -39.0 43.1 35.0 -18.2 35 35 A A H >< S+ 0 0 45 -4,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.789 100.2 66.8 -69.9 -27.3 44.2 37.1 -21.2 36 36 A A T 3< S+ 0 0 0 -4,-1.3 13,-3.2 1,-0.3 14,-1.0 0.434 90.0 66.7 -74.2 1.4 40.9 39.1 -20.9 37 37 A R T < S+ 0 0 39 -3,-1.2 8,-3.0 11,-0.3 2,-0.4 0.536 84.4 89.2 -97.2 -7.5 42.1 40.5 -17.6 38 38 A L B < -K 44 0C 65 -3,-1.4 6,-0.2 6,-0.2 11,-0.1 -0.763 63.9-146.2 -99.5 138.1 44.9 42.5 -19.1 39 39 A D > - 0 0 52 4,-2.8 3,-2.1 -2,-0.4 -2,-0.1 -0.142 45.4 -78.3 -85.0-175.3 44.7 46.1 -20.4 40 40 A A T 3 S+ 0 0 110 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.814 132.6 50.2 -56.0 -32.0 46.6 47.6 -23.3 41 41 A N T 3 S- 0 0 132 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.414 121.4-104.6 -87.8 0.2 49.7 48.0 -21.1 42 42 A G S < S+ 0 0 47 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.629 76.8 136.6 87.1 10.6 49.6 44.4 -19.9 43 43 A K - 0 0 120 1,-0.0 -4,-2.8 0, 0.0 -1,-0.3 -0.780 59.6-109.0 -95.8 141.6 48.3 45.3 -16.4 44 44 A K B -K 38 0C 129 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.373 28.9-154.2 -67.2 137.8 45.5 43.3 -14.8 45 45 A V > - 0 0 49 -8,-3.0 3,-1.9 -2,-0.1 2,-0.3 -0.969 23.3-112.2-116.1 127.8 42.2 45.1 -14.6 46 46 A K T 3 S+ 0 0 210 -2,-0.4 41,-0.1 1,-0.3 40,-0.1 -0.432 101.7 13.2 -66.4 123.8 39.7 44.1 -11.8 47 47 A G B 3 S-l 87 0D 11 39,-0.6 42,-1.7 -2,-0.3 41,-1.3 0.300 132.8 -61.9 95.6 -4.9 36.6 42.5 -13.1 48 48 A G < - 0 0 2 -3,-1.9 -11,-0.3 -11,-0.2 -14,-0.1 -0.172 41.3-114.4 109.2 155.3 38.2 41.9 -16.5 49 49 A A S S+ 0 0 26 -13,-3.2 -12,-0.2 1,-0.3 -1,-0.1 0.749 91.2 5.7 -95.7 -28.3 39.5 44.4 -19.1 50 50 A Y S S- 0 0 57 -14,-1.0 -1,-0.3 -11,-0.1 39,-0.2 -0.978 80.7 -93.6-153.3 157.2 37.0 43.6 -21.9 51 51 A P - 0 0 13 0, 0.0 -32,-2.6 0, 0.0 2,-0.4 -0.449 41.9-150.9 -72.8 152.7 33.8 41.6 -22.6 52 52 A L E -bc 19 91B 0 38,-2.1 40,-1.7 -34,-0.2 2,-0.5 -0.959 25.0-170.1-132.2 147.2 34.1 38.1 -24.2 53 53 A V E -bc 20 92B 15 -34,-1.8 -32,-2.1 -2,-0.4 2,-0.6 -0.949 21.8-168.2-130.9 100.3 32.2 35.8 -26.4 54 54 A I E -bc 21 93B 0 38,-2.9 40,-2.6 -2,-0.5 2,-0.7 -0.875 7.6-158.8 -95.7 116.9 34.0 32.4 -26.2 55 55 A T E -bc 22 94B 50 -34,-2.7 -32,-2.6 -2,-0.6 2,-0.6 -0.874 11.7-152.8 -97.2 111.6 32.9 29.8 -28.8 56 56 A Y E +bc 23 95B 1 38,-2.4 40,-2.9 -2,-0.7 -32,-0.2 -0.786 23.9 167.8 -88.4 122.7 33.9 26.4 -27.5 57 57 A T + 0 0 59 -34,-3.0 -33,-0.2 -2,-0.6 -1,-0.1 0.378 34.6 120.1-114.7 1.8 34.5 23.9 -30.3 58 58 A G - 0 0 8 -35,-0.6 42,-1.9 41,-0.1 2,-0.4 -0.172 46.7-152.4 -66.6 162.1 36.2 21.1 -28.4 59 59 A N + 0 0 83 -35,-0.3 3,-0.2 40,-0.3 42,-0.2 -0.955 20.0 173.5-141.2 119.3 34.8 17.6 -28.2 60 60 A E >> + 0 0 31 40,-0.4 4,-2.3 -2,-0.4 3,-0.6 -0.113 34.0 132.0-116.4 37.4 35.4 15.2 -25.4 61 61 A D H 3> S+ 0 0 52 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.869 70.0 60.3 -54.7 -39.9 33.1 12.4 -26.4 62 62 A S H 3> S+ 0 0 99 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 107.5 44.6 -54.3 -46.3 35.8 9.9 -25.8 63 63 A L H <> S+ 0 0 80 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.925 115.5 47.8 -65.6 -44.1 36.0 10.9 -22.2 64 64 A I H X S+ 0 0 3 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.935 113.4 46.5 -62.9 -48.8 32.2 10.9 -21.8 65 65 A N H X S+ 0 0 101 -4,-3.4 4,-1.2 1,-0.2 -1,-0.2 0.866 111.8 50.8 -62.9 -40.2 31.7 7.5 -23.5 66 66 A A H < S+ 0 0 64 -4,-2.0 4,-0.3 -5,-0.3 -1,-0.2 0.916 112.9 46.9 -65.5 -40.4 34.5 5.9 -21.5 67 67 A A H >< S+ 0 0 3 -4,-2.1 3,-1.9 1,-0.2 6,-0.2 0.910 105.9 56.9 -67.5 -42.9 32.9 7.2 -18.3 68 68 A A H >< S+ 0 0 42 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.822 105.3 55.0 -57.1 -29.5 29.4 6.1 -19.2 69 69 A A T 3< S+ 0 0 87 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.559 122.5 24.8 -80.4 -13.6 30.8 2.6 -19.5 70 70 A N T X S+ 0 0 103 -3,-1.9 3,-1.7 -4,-0.3 4,-0.3 -0.461 70.6 166.1-150.2 70.5 32.2 2.7 -16.0 71 71 A I G X S+ 0 0 33 -3,-0.5 3,-1.0 1,-0.3 4,-0.4 0.762 73.3 58.6 -62.2 -31.4 30.2 5.1 -13.9 72 72 A a G 3 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.429 95.6 65.8 -80.1 1.2 31.4 4.1 -10.5 73 73 A G G < S+ 0 0 19 -3,-1.7 -1,-0.2 -6,-0.2 3,-0.2 0.565 89.2 70.5 -94.7 -8.1 35.0 4.9 -11.6 74 74 A Q S X S+ 0 0 5 -3,-1.0 51,-2.6 -4,-0.3 3,-1.6 0.871 80.1 65.8 -76.5 -42.6 34.2 8.6 -11.8 75 75 A W T 3 S+ 0 0 58 -4,-0.4 52,-1.7 1,-0.3 53,-0.2 0.727 102.0 48.8 -56.5 -27.8 33.7 9.9 -8.3 76 76 A S T 3 S+ 0 0 62 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.490 91.4 97.6 -92.7 -6.7 37.2 9.3 -7.1 77 77 A K S < S- 0 0 106 -3,-1.6 50,-0.2 -4,-0.2 51,-0.2 -0.300 89.8 -84.1 -76.1 167.8 38.9 11.0 -10.1 78 78 A D - 0 0 128 1,-0.1 -1,-0.1 46,-0.1 48,-0.1 -0.486 49.8-113.8 -69.4 139.1 40.2 14.6 -10.0 79 79 A P - 0 0 42 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.384 28.0-150.8 -73.2 156.2 37.4 17.1 -10.7 80 80 A R + 0 0 62 44,-0.5 24,-2.7 51,-0.1 2,-0.3 -0.991 30.8 135.1-129.7 127.3 37.7 19.1 -14.0 81 81 A G E -m 104 0E 19 -2,-0.4 2,-0.5 22,-0.3 24,-0.2 -0.982 48.7-119.9-170.5 153.5 36.4 22.5 -14.5 82 82 A V E -m 105 0E 1 22,-2.6 24,-3.0 -2,-0.3 2,-0.5 -0.857 31.4-144.5 -97.3 127.2 36.9 26.1 -15.7 83 83 A E E -m 106 0E 110 -2,-0.5 2,-0.8 22,-0.2 24,-0.2 -0.825 11.2-166.4 -97.9 124.7 36.6 28.7 -13.0 84 84 A I E +m 107 0E 0 22,-3.1 24,-2.7 -2,-0.5 2,-0.5 -0.855 25.3 174.7-108.6 87.9 35.0 32.0 -13.9 85 85 A K E -m 108 0E 81 -2,-0.8 24,-0.2 1,-0.2 -38,-0.1 -0.882 56.4 -17.3-107.2 123.4 36.0 34.0 -10.9 86 86 A E S S+ 0 0 102 22,-2.4 -39,-0.6 -2,-0.5 2,-0.6 0.922 84.0 144.4 53.2 53.1 35.5 37.8 -10.4 87 87 A F B +l 47 0D 0 -3,-0.3 24,-1.3 21,-0.2 -1,-0.2 -0.936 10.3 158.4-123.7 106.0 34.8 38.5 -14.0 88 88 A T + 0 0 67 -41,-1.3 -40,-0.2 -2,-0.6 -1,-0.1 0.388 47.7 92.6-110.0 1.0 32.2 41.2 -14.4 89 89 A K S S- 0 0 103 -42,-1.7 -1,-0.1 -39,-0.2 -41,-0.1 0.725 103.8 -91.2 -67.9 -20.5 32.9 42.7 -17.9 90 90 A G - 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