==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-AUG-07 2QX3 . 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) . 23182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 240 36.4 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 . 1 0.2 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 . 86 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.0 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 . 8 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 0 6 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 74 0, 0.0 2,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0-170.1 7.8 -4.4 -15.5 2 25 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 128,-0.0 -0.369 360.0-152.1 -69.2 142.8 7.1 -1.7 -12.9 3 26 A V + 0 0 40 -2,-0.1 2,-0.3 192,-0.1 3,-0.3 -0.957 57.4 15.4-113.6 133.0 5.9 1.8 -13.9 4 27 A G S > S- 0 0 3 -2,-0.4 3,-2.1 301,-0.4 4,-0.2 -0.751 117.5 -12.1 112.8-155.3 6.8 4.8 -11.7 5 28 A Y T 3 S+ 0 0 23 159,-0.4 3,-0.3 1,-0.3 160,-0.2 0.717 135.5 49.6 -63.6 -22.0 9.2 5.6 -8.9 6 29 A G T > S+ 0 0 1 -3,-0.3 3,-1.9 158,-0.2 -1,-0.3 0.086 75.1 120.8 -97.6 22.2 10.0 1.8 -8.5 7 30 A A T < + 0 0 46 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.768 67.2 58.0 -60.6 -29.8 10.6 1.4 -12.3 8 31 A A T 3 S+ 0 0 67 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.578 79.0 121.5 -76.4 -7.9 14.2 0.2 -11.9 9 32 A T < + 0 0 5 -3,-1.9 120,-0.1 1,-0.1 119,-0.1 -0.333 22.8 158.8 -64.1 129.6 13.1 -2.7 -9.7 10 33 A T > - 0 0 84 1,-0.2 3,-2.3 118,-0.2 -1,-0.1 0.436 23.5-167.7-124.0 -10.1 14.1 -6.2 -11.0 11 34 A G T 3 S- 0 0 3 1,-0.3 64,-0.3 117,-0.2 -1,-0.2 -0.310 71.7 -17.1 56.3-130.9 14.0 -8.2 -7.8 12 35 A G T > S- 0 0 3 1,-0.2 3,-1.7 27,-0.2 -1,-0.3 0.301 89.9-160.6 -87.1 8.7 15.6 -11.7 -8.3 13 36 A G T < - 0 0 43 -3,-2.3 -1,-0.2 1,-0.2 25,-0.1 -0.144 60.1 -16.6 52.9-134.4 15.4 -11.3 -12.1 14 37 A N T 3 S+ 0 0 175 2,-0.1 -1,-0.2 3,-0.0 24,-0.0 0.166 92.0 137.1 -90.7 15.8 15.6 -14.6 -14.1 15 38 A K S < S- 0 0 110 -3,-1.7 24,-0.1 1,-0.1 -3,-0.1 -0.374 70.3 -93.8 -60.6 141.4 17.0 -16.7 -11.3 16 39 A V - 0 0 128 1,-0.1 24,-0.4 23,-0.0 -1,-0.1 -0.420 50.9-111.4 -55.7 119.1 15.5 -20.2 -11.0 17 40 A P - 0 0 69 0, 0.0 2,-0.7 0, 0.0 24,-0.2 -0.230 18.6-137.1 -58.4 140.1 12.6 -19.9 -8.5 18 41 A V E -a 41 0A 60 22,-3.3 24,-2.1 -3,-0.1 2,-0.2 -0.915 21.7-133.1 -95.1 113.9 12.9 -21.6 -5.1 19 42 A N E -a 42 0A 116 -2,-0.7 2,-0.4 22,-0.2 24,-0.2 -0.519 26.0-175.7 -66.9 130.3 9.6 -23.2 -4.3 20 43 A V E -a 43 0A 3 22,-2.7 24,-2.4 -2,-0.2 25,-0.6 -0.993 14.1-174.9-132.9 123.7 8.6 -22.5 -0.7 21 44 A A + 0 0 58 -2,-0.4 2,-0.3 23,-0.2 25,-0.2 0.619 69.4 27.7 -95.0 -16.1 5.4 -24.1 0.8 22 45 A T S > S- 0 0 61 23,-0.1 4,-1.9 22,-0.1 5,-0.1 -0.879 82.5-107.6-137.6 168.1 5.2 -22.4 4.2 23 46 A F H > S+ 0 0 44 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.808 120.2 56.9 -70.4 -24.3 6.4 -19.1 5.7 24 47 A E H > S+ 0 0 117 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.922 107.6 46.4 -67.6 -45.8 9.1 -21.0 7.6 25 48 A A H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.869 112.8 51.1 -62.3 -39.7 10.5 -22.4 4.3 26 49 A M H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.934 112.6 45.3 -62.1 -47.6 10.3 -18.9 2.8 27 50 A Q H X S+ 0 0 14 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.922 111.3 52.5 -63.6 -46.5 12.2 -17.4 5.8 28 51 A S H X S+ 0 0 66 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.903 108.3 51.0 -55.8 -44.3 14.8 -20.2 5.8 29 52 A A H X S+ 0 0 18 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.923 112.0 47.4 -61.2 -43.5 15.4 -19.5 2.1 30 53 A I H < S+ 0 0 2 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.929 111.3 51.3 -58.6 -47.4 15.9 -15.8 2.9 31 54 A D H < S+ 0 0 55 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.835 111.7 46.5 -61.4 -35.0 18.2 -16.6 5.8 32 55 A S H < S+ 0 0 100 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.736 90.7 105.0 -77.9 -26.2 20.4 -18.9 3.7 33 56 A Y S < S- 0 0 25 -4,-1.4 6,-0.1 -3,-0.3 -3,-0.0 -0.281 75.5-132.3 -59.4 138.5 20.6 -16.3 0.9 34 57 A S - 0 0 106 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.770 45.5-109.4 -66.7 -27.3 24.0 -14.5 0.6 35 58 A G S S+ 0 0 12 1,-0.2 37,-3.3 37,-0.1 2,-0.3 0.266 85.4 38.7 118.2 -10.8 22.1 -11.1 0.4 36 59 A S S S+ 0 0 75 35,-0.2 -2,-0.2 2,-0.1 -1,-0.2 -0.977 77.3 63.4-158.1 166.0 22.7 -10.1 -3.2 37 60 A G S S- 0 0 48 -2,-0.3 36,-0.1 -3,-0.1 37,-0.0 0.062 106.8 -55.4 102.5 -26.4 22.9 -11.4 -6.8 38 61 A G - 0 0 16 34,-0.5 2,-0.4 1,-0.1 36,-0.2 0.165 46.1-171.4 125.2 126.8 19.3 -12.6 -7.0 39 62 A L E - b 0 74A 19 34,-2.2 36,-2.8 -4,-0.1 2,-0.5 -0.984 6.1-167.7-141.3 129.0 16.8 -14.8 -5.2 40 63 A V E - b 0 75A 16 -24,-0.4 -22,-3.3 -2,-0.4 2,-0.6 -0.984 5.8-164.4-119.7 123.2 13.3 -15.7 -6.5 41 64 A L E -ab 18 76A 0 34,-3.0 36,-2.9 -2,-0.5 2,-0.8 -0.938 5.3-159.9-111.0 118.8 10.8 -17.4 -4.1 42 65 A N E -ab 19 77A 41 -24,-2.1 -22,-2.7 -2,-0.6 2,-0.6 -0.856 14.3-150.9 -96.0 104.7 7.8 -19.1 -5.5 43 66 A Y E +ab 20 78A 10 34,-2.9 36,-3.0 -2,-0.8 -22,-0.2 -0.680 23.4 169.5 -83.8 121.2 5.3 -19.4 -2.7 44 67 A T + 0 0 59 -24,-2.4 -23,-0.2 -2,-0.6 -1,-0.1 0.451 30.9 123.2-111.8 -5.8 3.0 -22.4 -3.1 45 68 A G - 0 0 9 -25,-0.6 38,-2.1 37,-0.1 2,-0.4 -0.274 45.7-154.9 -61.4 145.5 1.1 -22.6 0.3 46 69 A K B -j 83 0B 169 36,-0.3 38,-0.2 -25,-0.2 2,-0.2 -0.720 10.1-162.4-125.5 79.0 -2.7 -22.6 0.2 47 70 A F - 0 0 57 36,-2.3 2,-1.0 -2,-0.4 3,-0.1 -0.405 15.2-135.8 -64.9 132.1 -4.0 -21.2 3.5 48 71 A D > - 0 0 106 1,-0.2 3,-2.2 -2,-0.2 4,-0.2 -0.789 14.2-167.9 -92.8 102.7 -7.6 -22.0 4.1 49 72 A F G > S+ 0 0 41 -2,-1.0 3,-1.5 1,-0.3 -1,-0.2 0.696 82.0 74.6 -65.7 -18.8 -9.1 -18.8 5.5 50 73 A G G 3 S+ 0 0 45 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.634 81.0 71.9 -65.1 -15.3 -12.2 -20.8 6.4 51 74 A T G < S+ 0 0 76 -3,-2.2 2,-1.1 1,-0.1 -1,-0.3 0.690 78.4 82.4 -74.7 -18.4 -10.1 -22.2 9.3 52 75 A I < + 0 0 27 -3,-1.5 3,-0.1 -4,-0.2 -1,-0.1 -0.776 57.0 172.3 -87.7 100.1 -10.4 -18.8 11.0 53 76 A K + 0 0 176 -2,-1.1 2,-0.4 1,-0.2 -1,-0.2 0.639 66.3 41.1 -87.9 -17.3 -13.8 -19.2 12.6 54 77 A D > - 0 0 92 -3,-0.1 3,-2.1 1,-0.1 4,-0.4 -0.958 64.4-156.7-140.3 115.6 -13.6 -16.0 14.7 55 78 A V T 3 S+ 0 0 39 -2,-0.4 4,-0.2 1,-0.3 88,-0.1 0.471 95.4 58.3 -75.6 0.8 -12.1 -12.8 13.2 56 79 A a T 3 S+ 0 0 33 1,-0.1 -1,-0.3 2,-0.1 4,-0.3 0.305 85.2 75.9-113.8 3.7 -11.4 -11.6 16.7 57 80 A A S < S+ 0 0 45 -3,-2.1 3,-0.4 1,-0.1 4,-0.4 0.701 85.8 70.1 -74.3 -22.8 -9.2 -14.5 17.7 58 81 A Q S > S+ 0 0 9 -4,-0.4 51,-2.1 1,-0.2 3,-1.5 0.877 84.1 59.6 -71.7 -43.2 -6.4 -13.0 15.6 59 82 A W T 3 S+ 0 0 11 1,-0.3 -1,-0.2 49,-0.2 53,-0.2 0.747 104.3 50.4 -63.9 -25.6 -5.3 -9.8 17.4 60 83 A K T 3 S+ 0 0 65 -3,-0.4 340,-0.3 -4,-0.3 -1,-0.3 0.567 95.4 86.0 -91.6 -8.5 -4.2 -11.6 20.6 61 84 A L S < S- 0 0 38 -3,-1.5 48,-0.3 -4,-0.4 2,-0.0 -0.624 91.2 -96.6 -88.6 149.1 -2.1 -14.2 18.8 62 85 A P - 0 0 28 0, 0.0 46,-0.2 0, 0.0 48,-0.1 -0.333 46.7 -96.5 -67.1 149.3 1.6 -13.5 17.9 63 86 A A - 0 0 39 46,-0.2 2,-0.6 44,-0.1 46,-0.2 -0.290 22.7-148.1 -64.4 146.0 2.4 -12.2 14.4 64 87 A K + 0 0 55 44,-0.5 23,-2.3 21,-0.1 2,-0.4 -0.963 35.5 161.0-114.4 107.2 3.6 -14.5 11.6 65 88 A T E -k 87 0C 31 -2,-0.6 2,-0.3 21,-0.2 23,-0.2 -0.994 35.2-142.8-139.5 129.5 5.9 -12.4 9.5 66 89 A V E -k 88 0C 0 21,-3.2 23,-2.9 -2,-0.4 2,-0.5 -0.731 25.1-148.6 -87.2 141.6 8.6 -13.1 6.9 67 90 A Q E -k 89 0C 8 -2,-0.3 2,-0.7 21,-0.2 23,-0.2 -0.956 22.8-173.1-120.8 124.3 11.6 -10.8 7.0 68 91 A I E +k 90 0C 0 21,-3.0 23,-2.8 -2,-0.5 2,-0.5 -0.952 27.7 175.9-105.2 105.5 13.9 -9.6 4.3 69 92 A K E -k 91 0C 9 -2,-0.7 23,-0.2 322,-0.3 3,-0.1 -0.960 62.3 -19.5-121.8 120.4 16.4 -7.7 6.4 70 93 A N S S+ 0 0 19 21,-2.5 2,-0.3 -2,-0.5 24,-0.2 0.853 105.8 118.8 48.6 41.2 19.5 -6.1 4.9 71 94 A K - 0 0 13 20,-0.3 2,-0.2 -3,-0.1 -1,-0.2 -0.990 43.5-163.2-135.0 147.4 19.2 -8.3 1.8 72 95 A S + 0 0 20 -37,-3.3 -34,-0.5 -2,-0.3 24,-0.2 -0.756 55.6 44.0-126.5 165.8 18.8 -7.3 -1.8 73 96 A D S S+ 0 0 40 22,-2.0 -34,-2.2 23,-0.4 2,-0.4 0.954 74.5 149.7 68.8 52.8 17.7 -8.6 -5.2 74 97 A V E -bc 39 97A 0 22,-1.5 24,-2.7 21,-0.3 2,-0.5 -0.968 32.9-167.5-127.0 129.3 14.7 -10.6 -4.1 75 98 A T E -bc 40 98A 11 -36,-2.8 -34,-3.0 -2,-0.4 2,-0.6 -0.972 2.5-170.3-106.4 128.5 11.4 -11.6 -5.7 76 99 A I E +bc 41 99A 0 22,-3.4 24,-2.9 -2,-0.5 2,-0.4 -0.979 18.2 173.4-108.7 116.9 8.6 -13.0 -3.6 77 100 A K E -bc 42 100A 50 -36,-2.9 -34,-2.9 -2,-0.6 2,-0.3 -0.989 26.4-136.3-128.4 133.5 5.9 -14.3 -5.8 78 101 A G E -b 43 0A 0 22,-2.3 -34,-0.2 -2,-0.4 247,-0.2 -0.643 23.8-125.1 -79.8 135.0 2.7 -16.2 -5.0 79 102 A A > - 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