==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-DEC-11 3VMW . COMPND 2 MOLECULE: PECTATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS; . AUTHOR Y.ZHENG,C.H.HUANG,W.LIU,T.P.KO,Y.XUE,C.ZHOU,G.ZHANG,R.T.GUO, . 324 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 125 38.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 44 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 6.5 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+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 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 8 4 7 1 0 1 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 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 3 A G 0 0 96 0, 0.0 12,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0-178.5 -30.3 -1.9 -7.5 2 4 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 10,-0.1 -0.291 360.0-137.2 -73.0 150.9 -28.8 -0.8 -10.8 3 5 A Q + 0 0 62 192,-0.1 3,-0.5 3,-0.1 2,-0.1 -0.659 69.3 16.1 -88.3 157.9 -30.4 -0.9 -14.2 4 6 A G S > S- 0 0 0 297,-0.6 3,-2.3 -2,-0.2 4,-0.4 -0.387 119.1 -8.1 84.6-153.2 -28.2 -2.1 -17.1 5 7 A Y G > S+ 0 0 2 158,-0.3 3,-1.7 1,-0.3 -1,-0.2 0.829 123.4 61.5 -65.3 -30.3 -24.9 -3.9 -17.2 6 8 A A G 3 S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.682 97.6 62.9 -67.7 -10.7 -24.1 -3.8 -13.5 7 9 A S G < S+ 0 0 52 -3,-2.3 3,-0.3 4,-0.2 -1,-0.3 0.638 96.6 73.3 -86.4 -13.7 -27.3 -5.8 -13.0 8 10 A M S X S+ 0 0 54 -3,-1.7 3,-1.8 -4,-0.4 292,-0.0 -0.223 76.9 47.2 -87.9 178.7 -25.8 -8.7 -15.0 9 11 A N T 3 S- 0 0 90 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.840 144.2 -38.3 57.3 35.5 -23.1 -11.1 -14.0 10 12 A G T 3 S- 0 0 87 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.302 100.3-101.9 98.8 -8.6 -24.8 -11.7 -10.6 11 13 A G < - 0 0 21 -3,-1.8 2,-0.5 -6,-0.2 -4,-0.2 -0.076 35.2 -84.8 87.0 174.7 -25.9 -8.1 -10.0 12 14 A T + 0 0 7 -10,-0.1 -1,-0.1 1,-0.1 118,-0.1 -0.958 49.2 148.3-128.6 118.3 -24.5 -5.4 -7.8 13 15 A T > - 0 0 84 -2,-0.5 3,-2.0 1,-0.2 -1,-0.1 0.377 32.2-165.1-121.1 -2.7 -25.4 -5.0 -4.1 14 16 A G T 3 - 0 0 0 1,-0.2 66,-0.3 115,-0.2 -1,-0.2 -0.233 68.0 -17.6 49.5-125.2 -22.1 -3.5 -2.9 15 17 A G T > S+ 0 0 0 30,-0.2 3,-0.9 31,-0.1 -1,-0.2 0.118 93.4 140.1-102.9 21.9 -21.8 -3.7 0.9 16 18 A A T < + 0 0 60 -3,-2.0 3,-0.1 1,-0.2 -3,-0.1 -0.333 64.8 24.1 -61.6 145.2 -25.6 -4.3 1.6 17 19 A G T 3 S+ 0 0 91 1,-0.2 -1,-0.2 27,-0.1 2,-0.1 0.677 111.4 71.0 78.6 19.9 -26.3 -6.7 4.3 18 20 A G S < S- 0 0 35 -3,-0.9 -1,-0.2 1,-0.2 28,-0.2 -0.280 89.6 -20.1-133.4-137.7 -23.0 -6.5 6.3 19 21 A R E -a 46 0A 71 26,-2.6 28,-2.9 -2,-0.1 2,-0.4 -0.496 50.1-149.0 -81.0 149.5 -21.2 -4.1 8.5 20 22 A V E +a 47 0A 84 26,-0.2 2,-0.3 -2,-0.2 28,-0.2 -0.961 19.6 172.8-119.3 133.3 -21.9 -0.3 8.6 21 23 A E E -a 48 0A 67 26,-2.7 28,-3.6 -2,-0.4 2,-0.4 -0.975 22.9-142.1-136.2 150.9 -19.2 2.3 9.3 22 24 A Y E -a 49 0A 140 -2,-0.3 2,-0.4 26,-0.2 28,-0.2 -0.924 20.9-176.0-105.9 142.4 -18.9 6.1 9.3 23 25 A A E +a 50 0A 0 26,-2.6 28,-2.5 -2,-0.4 3,-0.1 -0.999 22.4 175.9-138.5 144.1 -15.7 7.8 8.2 24 26 A S S S+ 0 0 53 -2,-0.4 2,-0.3 26,-0.2 29,-0.3 0.258 72.1 49.0-125.0 2.1 -14.8 11.5 8.1 25 27 A T S > S- 0 0 34 27,-0.1 4,-1.9 29,-0.1 29,-0.2 -0.985 77.6-123.3-140.1 158.2 -11.2 11.1 6.9 26 28 A G H > S+ 0 0 0 -2,-0.3 4,-3.2 29,-0.3 33,-0.3 0.873 113.1 60.5 -66.6 -32.1 -9.5 9.2 4.1 27 29 A A H > S+ 0 0 44 31,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.904 105.0 47.6 -60.8 -41.8 -7.3 7.5 6.7 28 30 A Q H > S+ 0 0 78 30,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.909 113.1 48.5 -66.0 -41.0 -10.4 6.0 8.3 29 31 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.948 114.7 44.4 -62.2 -47.8 -11.7 4.9 4.9 30 32 A Q H X S+ 0 0 2 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.911 112.6 51.6 -67.4 -39.7 -8.4 3.3 3.9 31 33 A Q H X S+ 0 0 108 -4,-2.5 4,-3.1 -5,-0.3 5,-0.3 0.890 108.8 51.5 -64.0 -40.6 -7.9 1.7 7.3 32 34 A L H X S+ 0 0 17 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.930 113.3 44.7 -58.8 -49.1 -11.4 0.1 7.1 33 35 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.934 118.4 42.7 -58.0 -48.7 -10.7 -1.3 3.7 34 36 A D H X S+ 0 0 28 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.907 112.5 52.2 -72.9 -39.6 -7.2 -2.6 4.7 35 37 A N H X S+ 0 0 73 -4,-3.1 4,-0.7 -5,-0.2 -1,-0.2 0.926 111.5 47.2 -59.7 -45.5 -8.3 -4.0 8.1 36 38 A R H >< S+ 0 0 4 -4,-2.0 3,-1.3 -5,-0.3 5,-0.2 0.931 108.6 55.2 -62.4 -42.8 -11.1 -6.0 6.5 37 39 A S H 3< S+ 0 0 10 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.850 110.4 45.4 -61.1 -35.5 -8.8 -7.3 3.8 38 40 A R H 3< S+ 0 0 144 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.574 99.7 97.3 -79.8 -9.3 -6.4 -8.6 6.5 39 41 A S S << S- 0 0 49 -3,-1.3 -3,-0.1 -4,-0.7 -4,-0.0 -0.065 90.1-104.3 -79.1 177.5 -9.2 -10.1 8.6 40 42 A N S S+ 0 0 179 1,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.587 119.7 41.8 -74.8 -12.2 -10.6 -13.7 8.7 41 43 A N > + 0 0 84 -5,-0.2 3,-1.8 1,-0.1 -1,-0.3 -0.512 65.6 162.6-133.0 67.6 -13.6 -12.6 6.6 42 44 A P T 3 S+ 0 0 46 0, 0.0 35,-0.3 0, 0.0 -1,-0.1 0.672 74.7 53.8 -66.6 -16.7 -12.3 -10.2 3.9 43 45 A D T 3 S+ 0 0 59 -3,-0.1 3,-0.1 33,-0.1 -6,-0.1 0.364 72.2 128.6 -99.7 2.2 -15.4 -10.5 1.8 44 46 A E S < S- 0 0 65 -3,-1.8 -26,-0.1 -8,-0.1 -27,-0.1 -0.413 73.5-100.8 -59.0 125.3 -17.9 -9.5 4.5 45 47 A P - 0 0 37 0, 0.0 -26,-2.6 0, 0.0 2,-0.4 -0.172 44.0-166.6 -56.5 137.1 -20.1 -6.7 3.0 46 48 A L E -ab 19 79A 0 32,-2.2 34,-2.4 -28,-0.2 2,-0.5 -0.985 12.9-167.6-132.5 124.5 -19.0 -3.3 4.2 47 49 A T E -ab 20 80A 12 -28,-2.9 -26,-2.7 -2,-0.4 2,-0.6 -0.956 7.3-165.5-111.3 121.3 -20.8 -0.0 3.8 48 50 A I E -ab 21 81A 0 32,-3.1 34,-2.7 -2,-0.5 2,-0.6 -0.948 7.1-153.8-108.7 116.4 -18.8 3.1 4.6 49 51 A Y E -ab 22 82A 58 -28,-3.6 -26,-2.6 -2,-0.6 2,-0.7 -0.814 12.0-144.7 -90.1 120.8 -20.9 6.3 5.1 50 52 A V E +ab 23 83A 0 32,-2.6 34,-2.2 -2,-0.6 2,-0.3 -0.783 28.3 164.2 -93.2 116.2 -18.8 9.3 4.3 51 53 A N E + 0 0 65 -28,-2.5 2,-0.3 -2,-0.7 37,-0.2 -0.744 54.2 31.2-134.7 85.2 -19.6 12.3 6.5 52 54 A G E S- b 0 88A 16 35,-2.1 37,-1.7 -2,-0.3 2,-0.6 -0.883 98.0 -63.7 151.9-178.7 -16.9 14.9 6.3 53 55 A T E - b 0 89A 51 -29,-0.3 2,-0.4 -2,-0.3 37,-0.2 -0.904 42.8-150.4-104.9 115.6 -14.5 16.2 3.6 54 56 A I E + b 0 90A 0 35,-3.5 37,-2.7 -2,-0.6 2,-0.3 -0.741 29.9 166.4 -84.9 130.7 -11.9 13.6 2.5 55 57 A T - 0 0 38 -2,-0.4 3,-0.4 35,-0.2 4,-0.3 -0.853 53.5-104.0-137.4 171.8 -8.7 15.3 1.4 56 58 A Q S > S+ 0 0 45 35,-0.5 3,-1.2 -2,-0.3 -1,-0.1 0.907 120.8 58.0 -58.4 -44.2 -5.0 14.6 0.6 57 59 A G T 3 S+ 0 0 78 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.732 112.8 36.7 -63.7 -25.7 -4.2 16.1 4.0 58 60 A N T 3 S+ 0 0 45 -3,-0.4 -31,-2.4 -5,-0.0 -30,-0.3 0.238 104.6 81.8-111.6 15.4 -6.4 13.5 5.9 59 61 A S S < S- 0 0 17 -3,-1.2 -32,-0.1 -4,-0.3 5,-0.1 -0.879 70.1-139.3-119.5 147.5 -5.6 10.5 3.7 60 62 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.667 87.7 32.7 -83.3 -15.3 -2.5 8.2 3.9 61 63 A Q S S- 0 0 70 2,-0.2 -31,-0.1 -35,-0.0 -2,-0.1 -0.860 92.6-102.4-132.7 165.5 -2.1 7.8 0.1 62 64 A S S S+ 0 0 59 -2,-0.3 32,-0.5 31,-0.0 2,-0.3 0.437 105.1 24.7 -71.8 -6.3 -2.7 10.1 -2.8 63 65 A L S S- 0 0 15 30,-0.2 2,-0.7 53,-0.1 -2,-0.2 -0.954 92.5 -96.3-146.7 166.6 -5.9 8.2 -3.7 64 66 A I E -q 95 0B 0 30,-2.9 32,-3.1 -2,-0.3 2,-1.1 -0.819 44.3-146.0 -87.4 113.1 -8.5 6.1 -1.9 65 67 A D E -q 96 0B 23 -2,-0.7 2,-1.6 30,-0.2 32,-0.1 -0.683 21.0-177.5 -96.8 92.1 -7.2 2.6 -2.7 66 68 A V E +q 97 0B 0 30,-2.5 32,-2.7 -2,-1.1 2,-0.3 -0.665 47.0 116.1 -86.2 85.0 -10.0 0.1 -3.2 67 69 A K S S- 0 0 45 -2,-1.6 32,-0.1 30,-0.2 5,-0.1 -0.985 76.9 -89.3-153.2 144.4 -7.7 -2.8 -3.7 68 70 A N > - 0 0 24 6,-0.6 3,-1.1 30,-0.5 6,-0.1 -0.386 39.5-124.3 -58.4 139.4 -6.9 -6.0 -1.9 69 71 A H T 3 S+ 0 0 72 1,-0.3 -1,-0.1 -36,-0.2 3,-0.1 0.775 109.0 54.6 -61.1 -30.8 -4.1 -5.4 0.6 70 72 A R T 3 S- 0 0 192 1,-0.3 -1,-0.3 -33,-0.1 2,-0.2 0.807 124.9 -78.6 -71.6 -29.1 -1.8 -8.1 -0.9 71 73 A G X - 0 0 23 -3,-1.1 3,-1.8 3,-0.1 -1,-0.3 -0.739 48.0 -68.3 143.1 166.7 -2.1 -6.5 -4.4 72 74 A K T 3 S+ 0 0 107 1,-0.3 4,-0.1 -2,-0.2 -1,-0.1 0.618 112.6 77.8 -68.3 -13.5 -4.3 -6.2 -7.5 73 75 A A T 3 S+ 0 0 88 -5,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.769 91.8 62.9 -64.6 -21.3 -3.9 -9.9 -8.4 74 76 A H S < S- 0 0 95 -3,-1.8 -6,-0.6 -6,-0.1 -3,-0.1 -0.803 91.2-112.2-107.7 146.1 -6.4 -10.7 -5.7 75 77 A E - 0 0 80 -2,-0.3 2,-0.4 -8,-0.1 25,-0.2 -0.375 16.7-158.3 -74.9 150.0 -10.0 -9.5 -5.7 76 78 A I E - c 0 100A 3 23,-1.9 25,-3.0 22,-0.1 2,-0.3 -0.984 28.0-177.2-117.5 140.2 -11.6 -7.1 -3.3 77 79 A K E + c 0 101A 65 -2,-0.4 25,-0.2 -35,-0.3 26,-0.1 -0.916 34.1 23.8-138.2 159.3 -15.4 -7.4 -3.0 78 80 A N E + 0 0 31 23,-1.9 -32,-2.2 24,-0.3 2,-0.4 0.933 66.6 143.3 62.6 62.5 -18.7 -6.2 -1.6 79 81 A I E -bc 46 103A 0 23,-1.4 25,-2.4 -34,-0.2 2,-0.4 -0.985 30.5-165.3-132.1 141.8 -18.3 -2.6 -0.6 80 82 A S E -bc 47 104A 4 -34,-2.4 -32,-3.1 -2,-0.4 2,-0.5 -0.995 2.7-165.7-120.8 135.0 -20.5 0.5 -0.7 81 83 A I E +bc 48 105A 0 23,-3.0 25,-2.6 -2,-0.4 2,-0.4 -0.979 21.7 175.7-115.2 112.2 -19.1 4.0 -0.2 82 84 A I E -bc 49 106A 15 -34,-2.7 -32,-2.6 -2,-0.5 25,-0.2 -0.969 24.8-132.6-129.4 128.1 -22.1 6.2 0.4 83 85 A G E -b 50 0A 0 23,-2.3 2,-0.6 -2,-0.4 -32,-0.2 -0.467 19.8-126.3 -75.6 149.6 -22.2 9.9 1.2 84 86 A V E > - 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