==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-DEC-03 1RU4 . COMPND 2 MOLECULE: PECTATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR J.JENKINS,V.E.SHEVCHIK,N.HUGOUVIEUX-COTTE-PATTAT, . 400 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 123 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 0 0.0 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 . 38 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 0 0 0 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 2 20 6 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 PARALLEL BRIDGES PER LADDER . 3 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 0 2 0 0 1 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 26 A A 0 0 74 0, 0.0 357,-0.9 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 173.9 58.2 18.4 20.5 2 27 A D + 0 0 111 355,-0.1 3,-0.3 354,-0.1 87,-0.1 -0.870 360.0 167.1-101.8 107.1 61.6 16.6 19.9 3 28 A a > + 0 0 22 -2,-0.7 3,-1.7 1,-0.2 6,-0.2 0.098 39.5 116.2-105.8 23.6 62.1 13.8 22.4 4 29 A S T 3 S+ 0 0 51 1,-0.3 -1,-0.2 85,-0.1 86,-0.1 0.743 71.0 60.5 -63.6 -23.7 65.1 12.2 20.7 5 30 A S T 3 S+ 0 0 114 -3,-0.3 2,-0.7 1,-0.1 -1,-0.3 0.528 86.6 89.4 -81.6 -5.2 67.4 13.0 23.7 6 31 A D X - 0 0 59 -3,-1.7 3,-1.8 1,-0.2 82,-0.5 -0.839 63.4-159.0 -99.3 110.1 65.2 10.9 26.0 7 32 A L T 3 S+ 0 0 61 -2,-0.7 81,-1.9 1,-0.3 82,-0.2 0.898 94.4 41.2 -50.0 -49.7 66.3 7.2 26.1 8 33 A T T > S- 0 0 22 79,-0.2 3,-1.8 3,-0.1 -1,-0.3 0.222 108.8-121.7 -89.6 12.2 63.0 6.0 27.4 9 34 A S T < S- 0 0 1 -3,-1.8 -2,-0.1 1,-0.3 3,-0.1 0.840 76.1 -43.0 53.8 42.3 60.9 8.3 25.1 10 35 A G T 3 S+ 0 0 51 1,-0.3 2,-0.4 -7,-0.1 -1,-0.3 0.363 106.3 131.1 89.6 -4.0 59.0 10.0 27.9 11 36 A I < - 0 0 14 -3,-1.8 2,-0.6 -5,-0.1 -1,-0.3 -0.671 47.1-149.5 -91.2 133.0 58.3 6.9 29.9 12 37 A S + 0 0 108 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.0 -0.895 32.4 161.9 -97.9 121.7 59.0 6.6 33.7 13 38 A T - 0 0 43 -2,-0.6 36,-0.2 1,-0.1 3,-0.1 -0.979 45.9-144.4-144.6 154.8 59.9 3.1 34.7 14 39 A K S S+ 0 0 160 34,-0.9 2,-0.3 -2,-0.3 35,-0.1 0.570 91.5 26.8 -90.7 -12.1 61.5 1.0 37.4 15 40 A R - 0 0 119 33,-0.4 35,-2.6 31,-0.1 2,-0.5 -0.953 64.1-157.1-157.2 131.1 63.0 -1.5 35.1 16 41 A I E -a 50 0A 38 -2,-0.3 2,-0.7 33,-0.2 35,-0.2 -0.931 2.2-161.6-113.9 129.9 64.2 -1.5 31.5 17 42 A Y E -a 51 0A 20 33,-2.9 35,-2.2 -2,-0.5 2,-0.5 -0.945 19.9-143.5-107.3 109.2 64.6 -4.6 29.3 18 43 A Y E -a 52 0A 39 11,-2.2 18,-2.5 -2,-0.7 2,-0.3 -0.643 24.6-179.3 -78.3 122.4 66.8 -3.7 26.3 19 44 A V E +ab 53 36A 0 33,-2.8 35,-2.4 -2,-0.5 18,-0.2 -0.915 9.7 172.8-125.3 146.0 65.7 -5.4 23.1 20 45 A A > - 0 0 3 16,-1.3 3,-1.9 -2,-0.3 18,-0.2 -0.952 46.3-104.2-144.9 161.5 67.1 -5.4 19.6 21 46 A P T 3 S+ 0 0 66 0, 0.0 17,-0.1 0, 0.0 38,-0.1 0.848 124.1 43.2 -56.4 -35.5 66.3 -7.3 16.3 22 47 A N T 3 S+ 0 0 109 15,-0.1 15,-0.1 2,-0.0 36,-0.0 0.179 86.8 136.3 -96.1 16.4 69.4 -9.5 16.8 23 48 A G < + 0 0 13 -3,-1.9 13,-0.3 13,-0.3 2,-0.3 -0.318 29.3 171.4 -63.8 146.6 68.8 -10.0 20.5 24 49 A N > - 0 0 70 11,-1.5 3,-1.6 13,-0.1 -2,-0.0 -0.934 47.5 -85.0-152.8 175.4 69.3 -13.5 21.9 25 50 A S T 3 S+ 0 0 125 1,-0.3 11,-0.1 -2,-0.3 -2,-0.1 0.581 111.4 72.0 -61.7 -16.3 69.5 -15.9 24.9 26 51 A S T 3 S+ 0 0 93 9,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.362 95.5 68.4 -82.0 7.7 73.2 -15.2 25.5 27 52 A N < - 0 0 45 -3,-1.6 10,-0.2 8,-0.1 7,-0.1 -0.893 64.8-153.1-127.2 156.2 72.2 -11.8 26.8 28 53 A N - 0 0 103 -2,-0.3 8,-0.1 6,-0.2 -10,-0.1 0.362 46.0-114.5-107.7 1.1 70.3 -10.5 29.8 29 54 A G S S+ 0 0 0 5,-1.8 -11,-2.2 2,-0.2 3,-0.1 0.800 70.4 138.0 70.4 30.3 69.0 -7.2 28.3 30 55 A S S S- 0 0 70 4,-0.5 2,-0.3 -13,-0.2 -1,-0.1 0.612 75.9 -15.8 -81.8 -15.1 71.0 -5.0 30.6 31 56 A S S > S- 0 0 34 3,-0.4 3,-1.3 -13,-0.2 -2,-0.2 -0.951 79.0 -85.7-169.8 175.9 71.9 -2.6 27.8 32 57 A F T 3 S+ 0 0 64 -2,-0.3 22,-0.0 1,-0.3 -2,-0.0 0.536 124.4 64.1 -73.4 -5.0 72.0 -2.4 24.0 33 58 A N T 3 S+ 0 0 156 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.577 114.9 30.8 -88.8 -12.7 75.4 -4.0 24.1 34 59 A A S < S+ 0 0 18 -3,-1.3 -5,-1.8 -7,-0.1 -4,-0.5 -0.398 88.2 176.3-139.8 58.4 73.6 -7.1 25.6 35 60 A P - 0 0 11 0, 0.0 -11,-1.5 0, 0.0 -16,-0.2 -0.392 16.5-148.1 -71.0 138.3 70.1 -7.0 24.0 36 61 A M B -b 19 0A 18 -18,-2.5 -16,-1.3 -13,-0.3 -13,-0.3 -0.510 29.2 -91.3 -96.1 168.7 67.6 -9.8 24.6 37 62 A S > - 0 0 29 -18,-0.2 4,-2.1 -2,-0.2 5,-0.2 -0.375 31.7-114.1 -76.3 161.6 65.0 -11.0 22.1 38 63 A F H > S+ 0 0 22 -18,-0.2 4,-2.4 1,-0.2 5,-0.2 0.911 117.9 51.8 -61.5 -42.0 61.5 -9.5 22.0 39 64 A S H > S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 108.2 50.7 -62.7 -39.7 60.0 -12.9 23.1 40 65 A A H > S+ 0 0 37 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.911 111.4 48.1 -65.1 -41.9 62.4 -13.1 26.1 41 66 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.902 108.8 54.2 -64.7 -41.9 61.5 -9.6 27.2 42 67 A M H < S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.861 108.1 50.4 -59.2 -37.6 57.8 -10.4 26.9 43 68 A A H < S+ 0 0 78 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 118.4 37.2 -68.8 -37.2 58.2 -13.4 29.1 44 69 A A H < S+ 0 0 40 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.814 88.4 109.4 -86.2 -34.1 60.0 -11.4 31.8 45 70 A V < - 0 0 0 -4,-2.8 37,-0.1 -5,-0.1 3,-0.0 -0.091 44.1-171.6 -56.3 139.6 58.2 -8.0 31.8 46 71 A N > - 0 0 86 1,-0.1 3,-2.2 -31,-0.1 30,-0.1 -0.807 39.9 -61.4-125.4 165.8 56.0 -7.0 34.7 47 72 A P T 3 S+ 0 0 31 0, 0.0 35,-0.2 0, 0.0 3,-0.1 -0.181 122.6 17.9 -50.2 131.6 53.5 -4.2 35.4 48 73 A G T 3 S+ 0 0 13 33,-1.8 -34,-0.9 32,-0.3 -33,-0.4 0.345 102.9 113.1 88.4 -6.8 55.2 -0.8 35.4 49 74 A E < - 0 0 21 -3,-2.2 34,-2.5 31,-0.2 2,-0.4 -0.497 58.2-128.4 -96.9 169.1 58.3 -2.1 33.5 50 75 A L E -ac 16 83A 0 -35,-2.6 -33,-2.9 32,-0.2 2,-0.9 -0.963 9.4-154.0-129.9 128.0 59.5 -1.3 30.0 51 76 A I E -ac 17 84A 0 32,-2.9 34,-2.3 -2,-0.4 2,-0.7 -0.863 27.9-158.6 -92.0 103.4 60.5 -3.3 27.0 52 77 A L E -ac 18 85A 0 -35,-2.2 -33,-2.8 -2,-0.9 2,-0.4 -0.810 4.0-153.9 -93.3 114.3 62.8 -0.8 25.3 53 78 A L E -ac 19 86A 0 32,-3.1 34,-2.9 -2,-0.7 -33,-0.2 -0.729 14.3-127.9 -92.9 128.6 63.2 -1.5 21.6 54 79 A K - 0 0 97 -35,-2.4 34,-0.0 -2,-0.4 32,-0.0 -0.536 45.6 -97.7 -65.8 133.4 66.3 -0.4 19.6 55 80 A P S S+ 0 0 59 0, 0.0 2,-0.3 0, 0.0 37,-0.2 -0.324 84.3 75.1 -56.8 135.6 65.0 1.5 16.6 56 81 A G E S-m 92 0B 29 35,-1.8 37,-2.7 -3,-0.1 2,-0.5 -0.982 83.3 -46.8 156.7-163.0 64.9 -0.8 13.5 57 82 A T E -m 93 0B 72 -2,-0.3 2,-0.7 35,-0.2 37,-0.2 -0.921 34.0-160.6-112.1 128.8 62.9 -3.6 11.9 58 83 A Y E -m 94 0B 13 35,-3.3 37,-2.2 -2,-0.5 2,-0.6 -0.933 18.0-155.8-107.4 107.1 61.8 -6.7 13.8 59 84 A T E -m 95 0B 90 -2,-0.7 37,-0.2 35,-0.2 35,-0.1 -0.781 9.3-162.6 -96.6 118.8 61.0 -9.4 11.2 60 85 A I - 0 0 29 35,-2.8 8,-0.1 -2,-0.6 -2,-0.0 -0.874 31.8-115.3 -95.4 120.9 58.6 -12.2 12.0 61 86 A P - 0 0 99 0, 0.0 2,-0.4 0, 0.0 37,-0.1 -0.201 24.6-137.3 -56.7 143.7 59.1 -15.1 9.6 62 87 A Y - 0 0 62 35,-0.2 2,-0.4 3,-0.0 5,-0.1 -0.844 17.2-173.7-104.6 140.2 56.2 -16.0 7.2 63 88 A T B > -V 66 0C 78 3,-0.5 3,-2.0 -2,-0.4 35,-0.0 -0.989 36.8-104.2-133.7 123.7 55.1 -19.6 6.4 64 89 A Q T 3 S+ 0 0 120 -2,-0.4 3,-0.1 1,-0.3 40,-0.0 -0.159 102.0 7.2 -50.9 128.8 52.4 -20.2 3.7 65 90 A G T 3 S+ 0 0 48 1,-0.2 2,-0.4 38,-0.1 -1,-0.3 0.566 110.1 100.7 77.1 10.1 49.0 -21.0 5.2 66 91 A K B < -V 63 0C 138 -3,-2.0 -3,-0.5 38,-0.0 -1,-0.2 -0.978 67.8-124.8-131.3 141.5 50.0 -20.4 8.8 67 92 A G - 0 0 47 -2,-0.4 40,-0.1 1,-0.1 38,-0.0 -0.461 14.4-171.2 -78.2 154.4 49.5 -17.5 11.2 68 93 A N + 0 0 25 40,-0.2 -1,-0.1 -2,-0.1 39,-0.1 0.054 27.9 157.3-135.3 27.6 52.4 -15.8 12.9 69 94 A T - 0 0 45 1,-0.1 2,-0.6 37,-0.1 41,-0.2 -0.083 37.9-137.6 -54.0 142.9 50.6 -13.5 15.4 70 95 A I E -w 110 0D 34 39,-2.7 41,-2.6 38,-0.1 2,-0.5 -0.953 21.9-148.6-103.6 120.9 52.2 -12.2 18.5 71 96 A T E -w 111 0D 62 -2,-0.6 2,-0.8 39,-0.2 41,-0.2 -0.802 11.0-161.2 -96.2 129.2 49.7 -12.4 21.4 72 97 A F E +w 112 0D 0 39,-3.2 42,-2.5 -2,-0.5 41,-1.4 -0.815 34.4 145.0-105.9 86.7 49.8 -9.9 24.3 73 98 A N + 0 0 108 -2,-0.8 42,-0.2 40,-0.2 -1,-0.2 0.637 40.4 93.0-100.6 -19.2 47.8 -11.7 27.0 74 99 A K - 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