==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-AUG-07 2QXZ . COMPND 2 MOLECULE: PECTATE LYASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR M.L.GARRON,D.SHAYA . 660 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 238 36.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.3 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 . 88 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 4.4 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 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 8 8 12 16 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 . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 5 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 24 A G 0 0 68 0, 0.0 6,-0.1 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0-179.6 -0.2 -2.3 -32.2 2 25 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 128,-0.0 -0.361 360.0-160.3 -67.0 140.2 -0.4 0.4 -29.5 3 26 A V + 0 0 44 192,-0.1 3,-0.3 -2,-0.1 2,-0.3 -0.960 53.8 16.3-116.5 140.0 -1.5 3.9 -30.5 4 27 A G S > S- 0 0 4 301,-0.4 3,-2.0 -2,-0.4 161,-0.2 -0.722 118.8 -13.3 106.5-152.6 -0.8 7.0 -28.3 5 28 A Y T 3 S+ 0 0 20 159,-0.4 3,-0.3 1,-0.3 160,-0.2 0.761 136.4 49.9 -66.2 -26.1 1.7 7.6 -25.5 6 29 A G T > S+ 0 0 0 -3,-0.3 3,-2.0 158,-0.2 -1,-0.3 0.183 76.5 119.7 -91.0 18.7 2.4 3.9 -25.1 7 30 A A T < + 0 0 48 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.704 66.6 57.5 -60.8 -27.1 3.0 3.5 -28.9 8 31 A A T 3 S+ 0 0 65 -3,-0.3 -1,-0.3 -4,-0.1 2,-0.2 0.519 79.0 121.8 -80.1 -4.8 6.6 2.3 -28.6 9 32 A T < + 0 0 5 -3,-2.0 120,-0.1 1,-0.2 119,-0.1 -0.407 21.4 157.0 -66.4 126.1 5.6 -0.7 -26.4 10 33 A T > - 0 0 86 -2,-0.2 3,-2.3 1,-0.2 -1,-0.2 0.427 24.6-170.2-120.3 -10.6 6.5 -4.1 -27.8 11 34 A G T 3 S- 0 0 3 1,-0.3 64,-0.3 117,-0.2 -1,-0.2 -0.268 71.5 -11.7 52.9-130.4 6.5 -6.1 -24.5 12 35 A G T > S- 0 0 4 27,-0.2 3,-1.4 1,-0.2 -1,-0.3 0.476 92.3-162.3 -78.5 -3.3 8.0 -9.6 -25.0 13 36 A G T < - 0 0 39 -3,-2.3 -1,-0.2 1,-0.2 25,-0.1 -0.263 58.6 -16.1 61.3-138.2 7.9 -9.1 -28.8 14 37 A N T 3 S+ 0 0 174 2,-0.0 -1,-0.2 3,-0.0 24,-0.0 0.169 91.7 136.7 -89.2 16.0 8.1 -12.3 -30.9 15 38 A K < - 0 0 116 -3,-1.4 24,-0.1 1,-0.1 3,-0.1 -0.352 69.2 -96.7 -61.7 142.4 9.4 -14.6 -28.1 16 39 A V - 0 0 128 1,-0.1 24,-0.4 23,-0.0 -1,-0.1 -0.470 51.4-109.1 -57.4 123.0 7.8 -18.0 -28.0 17 40 A P - 0 0 68 0, 0.0 2,-0.6 0, 0.0 24,-0.2 -0.233 18.6-135.7 -57.3 143.8 5.0 -17.8 -25.4 18 41 A V E -a 41 0A 61 22,-3.1 24,-2.5 -3,-0.1 2,-0.4 -0.933 23.2-131.9 -98.6 116.5 5.4 -19.6 -22.0 19 42 A N E -a 42 0A 117 -2,-0.6 2,-0.4 22,-0.2 24,-0.2 -0.593 27.6-177.7 -71.4 124.4 2.0 -21.3 -21.3 20 43 A V E -a 43 0A 3 22,-2.6 24,-2.0 -2,-0.4 25,-0.7 -0.977 13.8-177.6-127.7 118.5 1.0 -20.5 -17.7 21 44 A A + 0 0 57 -2,-0.4 2,-0.3 23,-0.2 25,-0.2 0.600 64.7 36.4 -91.4 -12.9 -2.2 -22.1 -16.4 22 45 A T S > S- 0 0 60 1,-0.1 4,-2.3 23,-0.1 5,-0.2 -0.931 80.7-107.1-139.9 159.6 -2.3 -20.4 -12.9 23 46 A F H > S+ 0 0 45 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.912 121.6 46.5 -38.7 -55.8 -1.5 -17.4 -10.8 24 47 A E H > S+ 0 0 123 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.880 109.1 52.8 -67.3 -40.3 1.5 -19.2 -9.3 25 48 A A H > S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.869 110.1 50.1 -62.9 -36.9 2.8 -20.4 -12.7 26 49 A M H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.952 112.8 44.9 -64.7 -50.8 2.7 -16.9 -14.0 27 50 A Q H X S+ 0 0 17 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.916 111.3 53.9 -59.3 -45.5 4.6 -15.4 -11.0 28 51 A S H X S+ 0 0 65 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.887 108.5 48.9 -56.9 -42.9 7.2 -18.3 -11.1 29 52 A A H X S+ 0 0 18 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.868 112.7 48.5 -65.8 -39.7 7.9 -17.5 -14.8 30 53 A I H < S+ 0 0 3 -4,-2.0 3,-0.5 2,-0.2 -2,-0.2 0.925 110.6 50.8 -61.6 -47.2 8.3 -13.8 -14.0 31 54 A D H < S+ 0 0 53 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.830 110.8 48.5 -60.6 -36.1 10.6 -14.6 -11.0 32 55 A S H < S+ 0 0 100 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.695 89.4 105.9 -78.8 -22.6 12.9 -16.9 -13.2 33 56 A Y S < S- 0 0 26 -4,-0.9 6,-0.1 -3,-0.5 -3,-0.0 -0.327 74.3-133.5 -62.5 136.7 13.1 -14.3 -15.9 34 57 A S - 0 0 109 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.751 47.1-110.3 -64.0 -26.1 16.5 -12.4 -16.2 35 58 A G S S+ 0 0 11 1,-0.1 37,-3.3 37,-0.1 2,-0.3 0.284 84.5 40.2 115.9 -9.8 14.6 -9.1 -16.4 36 59 A S S S+ 0 0 75 35,-0.2 -2,-0.2 2,-0.1 -1,-0.1 -0.982 76.2 64.1-159.1 162.8 15.1 -8.0 -20.0 37 60 A G S S- 0 0 56 -2,-0.3 36,-0.1 -3,-0.1 37,-0.0 0.021 107.5 -55.1 108.2 -26.4 15.3 -9.3 -23.6 38 61 A G - 0 0 16 34,-0.5 2,-0.4 -25,-0.1 36,-0.2 0.136 45.9-169.7 125.2 124.7 11.7 -10.5 -23.8 39 62 A L E - b 0 74A 19 34,-2.2 36,-2.7 -4,-0.1 2,-0.5 -0.987 7.6-167.1-135.7 129.2 9.3 -12.7 -22.0 40 63 A V E - b 0 75A 10 -24,-0.4 -22,-3.1 -2,-0.4 2,-0.6 -0.974 4.8-165.0-118.6 123.0 5.8 -13.7 -23.3 41 64 A L E -ab 18 76A 0 34,-3.2 36,-2.8 -2,-0.5 2,-0.8 -0.934 6.7-160.6-111.7 121.9 3.3 -15.3 -21.1 42 65 A N E -ab 19 77A 42 -24,-2.5 -22,-2.6 -2,-0.6 2,-0.5 -0.878 14.0-152.3 -98.7 103.0 0.2 -17.0 -22.5 43 66 A Y E +ab 20 78A 9 34,-2.4 36,-3.1 -2,-0.8 -22,-0.2 -0.675 23.0 168.7 -81.8 120.6 -2.3 -17.3 -19.6 44 67 A T + 0 0 55 -24,-2.0 -23,-0.2 -2,-0.5 -1,-0.1 0.418 30.9 122.6-113.2 -4.3 -4.6 -20.3 -20.2 45 68 A G - 0 0 9 -25,-0.7 38,-2.2 37,-0.1 2,-0.4 -0.284 45.9-155.2 -65.9 147.5 -6.4 -20.6 -16.8 46 69 A K B -j 83 0B 156 36,-0.3 2,-0.2 -25,-0.2 38,-0.2 -0.715 8.4-162.8-127.0 78.5 -10.2 -20.4 -16.7 47 70 A F - 0 0 55 36,-2.4 2,-1.0 -2,-0.4 3,-0.1 -0.427 17.1-135.3 -60.7 126.8 -11.4 -19.2 -13.4 48 71 A D > - 0 0 106 -2,-0.2 3,-2.2 1,-0.2 4,-0.2 -0.762 13.9-164.6 -87.4 101.5 -15.1 -20.1 -12.9 49 72 A F G > S+ 0 0 42 -2,-1.0 3,-1.5 1,-0.3 -1,-0.2 0.691 82.3 73.2 -60.3 -20.8 -16.6 -16.8 -11.5 50 73 A G G 3 S+ 0 0 46 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.602 79.5 73.8 -69.3 -13.2 -19.7 -18.8 -10.4 51 74 A T G < S+ 0 0 77 -3,-2.2 2,-1.0 1,-0.1 -1,-0.3 0.685 79.5 82.6 -70.9 -17.8 -17.6 -20.3 -7.6 52 75 A I < + 0 0 28 -3,-1.5 3,-0.1 -4,-0.2 -1,-0.1 -0.774 56.3 170.0 -87.7 98.9 -17.9 -16.9 -5.9 53 76 A K + 0 0 183 -2,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.695 66.5 41.4 -85.9 -20.8 -21.3 -17.2 -4.3 54 77 A D > - 0 0 95 -3,-0.1 3,-1.9 1,-0.1 4,-0.4 -0.955 61.9-160.0-134.6 111.8 -21.0 -14.0 -2.2 55 78 A V G > S+ 0 0 43 -2,-0.4 3,-1.0 1,-0.3 4,-0.3 0.818 95.4 60.6 -54.8 -31.7 -19.6 -10.8 -3.7 56 79 A a G 3 S+ 0 0 34 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.402 86.5 74.1 -83.9 2.6 -19.0 -9.7 -0.0 57 80 A A G < S+ 0 0 42 -3,-1.9 4,-0.4 1,-0.1 3,-0.4 0.718 85.7 69.3 -78.1 -23.1 -16.7 -12.6 0.8 58 81 A Q S X S+ 0 0 9 -3,-1.0 51,-2.2 -4,-0.4 3,-1.3 0.870 84.8 59.3 -71.9 -42.5 -13.9 -11.0 -1.3 59 82 A W T 3 S+ 0 0 15 -4,-0.3 -1,-0.2 1,-0.3 53,-0.2 0.754 104.1 51.8 -65.3 -25.8 -12.8 -7.9 0.6 60 83 A K T 3 S+ 0 0 63 -3,-0.4 -1,-0.3 -4,-0.3 340,-0.3 0.627 95.7 83.8 -87.3 -14.9 -11.8 -9.9 3.8 61 84 A L S < S- 0 0 37 -3,-1.3 48,-0.4 -4,-0.4 2,-0.1 -0.520 91.8 -96.7 -85.1 153.2 -9.6 -12.3 1.9 62 85 A P - 0 0 27 0, 0.0 46,-0.2 0, 0.0 -1,-0.1 -0.406 46.0 -98.9 -67.3 149.0 -6.0 -11.5 1.0 63 86 A A - 0 0 37 46,-0.2 2,-0.5 -4,-0.1 46,-0.2 -0.253 21.8-146.1 -61.9 150.1 -5.2 -10.2 -2.5 64 87 A K + 0 0 60 44,-0.5 23,-2.4 21,-0.1 2,-0.4 -0.958 34.8 163.9-117.3 108.2 -3.9 -12.5 -5.2 65 88 A T E -k 87 0C 31 -2,-0.5 2,-0.4 21,-0.2 23,-0.2 -0.986 35.1-141.8-137.7 123.4 -1.6 -10.3 -7.3 66 89 A V E -k 88 0C 0 21,-3.0 23,-3.0 -2,-0.4 2,-0.5 -0.697 26.2-150.0 -77.7 130.3 1.1 -11.1 -9.9 67 90 A Q E -k 89 0C 24 -2,-0.4 2,-0.6 21,-0.2 23,-0.2 -0.918 20.0-172.4-110.1 126.9 4.0 -8.7 -9.5 68 91 A I E +k 90 0C 0 21,-3.3 23,-2.6 -2,-0.5 2,-0.5 -0.953 24.1 178.2-106.0 106.2 6.4 -7.6 -12.3 69 92 A K E -k 91 0C 14 -2,-0.6 23,-0.2 322,-0.3 3,-0.1 -0.942 61.1 -20.7-121.3 115.7 9.0 -5.7 -10.3 70 93 A N S S+ 0 0 31 21,-2.1 2,-0.3 -2,-0.5 24,-0.2 0.874 104.2 120.4 56.6 39.9 12.1 -4.1 -11.9 71 94 A K - 0 0 27 20,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.982 42.7-164.1-134.9 147.7 11.7 -6.3 -15.0 72 95 A S + 0 0 20 -37,-3.3 -34,-0.5 -2,-0.3 24,-0.2 -0.804 55.1 43.5-130.7 163.3 11.2 -5.2 -18.6 73 96 A D S S+ 0 0 42 22,-2.1 -34,-2.2 23,-0.3 2,-0.4 0.956 74.4 152.0 68.1 55.1 10.1 -6.5 -22.0 74 97 A V E -bc 39 97A 1 22,-1.7 24,-2.7 21,-0.3 2,-0.5 -0.947 32.7-165.4-124.9 135.1 7.2 -8.5 -20.8 75 98 A T E -bc 40 98A 0 -36,-2.7 -34,-3.2 -2,-0.4 2,-0.6 -0.989 1.6-172.9-114.1 123.7 3.9 -9.6 -22.5 76 99 A I E +bc 41 99A 0 22,-3.4 24,-2.9 -2,-0.5 2,-0.5 -0.972 18.5 173.1-107.6 113.5 1.1 -10.9 -20.4 77 100 A K E -bc 42 100A 71 -36,-2.8 -34,-2.4 -2,-0.6 2,-0.3 -0.978 25.9-138.3-127.5 124.5 -1.6 -12.1 -22.8 78 101 A G E -b 43 0A 6 22,-2.5 -34,-0.2 -2,-0.5 247,-0.2 -0.586 23.9-123.9 -74.7 135.4 -4.8 -14.0 -21.9 79 102 A A > - 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