==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-JUN-99 1PLU . COMPND 2 MOLECULE: PROTEIN (PECTATE LYASE C); . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR M.D.YODER,F.A.JURNAK . 352 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 73.0 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 . 46 13.1 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 . 23 6.5 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 0 0 1 0 1 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 0 105 0, 0.0 9,-0.3 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 175.5 19.6 41.2 -24.8 2 2 A T + 0 0 89 7,-0.2 8,-0.8 9,-0.1 2,-0.6 0.644 360.0 101.6 -66.2 -15.8 18.8 41.5 -21.1 3 3 A D B +A 9 0A 109 6,-0.2 6,-0.1 1,-0.2 4,-0.1 -0.614 31.4 155.1 -77.4 116.6 15.6 39.6 -21.5 4 4 A T - 0 0 6 -2,-0.6 -1,-0.2 4,-0.6 3,-0.1 0.359 63.3-109.4-117.0 -2.8 16.0 36.0 -20.3 5 5 A G S S+ 0 0 9 1,-0.3 2,-0.2 316,-0.2 -2,-0.1 0.617 94.1 54.7 80.7 13.9 12.4 35.3 -19.5 6 6 A G S S- 0 0 6 2,-0.5 -2,-0.4 173,-0.1 -1,-0.3 -0.749 109.8 -60.0-152.7-162.6 13.2 35.3 -15.9 7 7 A Y S S+ 0 0 29 171,-0.5 2,-0.4 -2,-0.2 172,-0.2 0.732 102.2 89.5 -66.1 -28.1 14.8 37.1 -13.0 8 8 A A - 0 0 1 133,-0.1 2,-0.6 198,-0.1 -4,-0.6 -0.601 56.5-170.4 -75.5 128.6 18.2 37.3 -14.7 9 9 A A B +A 3 0A 49 -2,-0.4 2,-0.3 -6,-0.1 -6,-0.2 -0.865 35.8 124.1-120.0 92.5 18.6 40.4 -16.8 10 10 A T - 0 0 1 -8,-0.8 3,-0.1 -2,-0.6 131,-0.0 -0.992 49.2-165.4-152.5 156.4 21.9 40.0 -18.8 11 11 A A > - 0 0 21 -2,-0.3 3,-1.8 1,-0.3 2,-0.1 0.313 38.3-157.8-116.8 -3.1 23.4 39.9 -22.2 12 12 A G T 3 - 0 0 2 1,-0.3 -1,-0.3 128,-0.2 80,-0.2 -0.376 67.3 -14.9 61.5-127.6 26.6 38.3 -21.0 13 13 A G T 3 S+ 0 0 0 77,-0.2 2,-2.3 1,-0.2 -1,-0.3 0.605 113.1 96.1 -84.2 -12.1 29.5 38.9 -23.3 14 14 A N < + 0 0 98 -3,-1.8 2,-0.2 77,-0.1 -1,-0.2 -0.380 63.7 107.0 -79.9 64.5 27.3 40.0 -26.2 15 15 A V S > S- 0 0 65 -2,-2.3 3,-1.3 75,-0.1 2,-0.2 -0.667 81.4 -60.3-127.6-179.5 27.6 43.7 -25.5 16 16 A T T 3 S+ 0 0 144 1,-0.2 -1,-0.0 -2,-0.2 -2,-0.0 -0.496 120.3 19.4 -70.3 129.2 29.5 46.6 -27.1 17 17 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.2 -2,-0.2 -3,-0.1 0.507 86.3 155.5 91.3 6.2 33.2 46.2 -27.2 18 18 A A < - 0 0 35 -3,-1.3 2,-0.4 32,-0.1 -1,-0.3 -0.326 34.7-143.1 -68.5 146.4 33.2 42.4 -26.8 19 19 A V E -b 52 0B 47 32,-2.2 34,-1.7 -6,-0.0 2,-0.5 -0.915 11.3-142.6-110.0 135.6 36.1 40.3 -28.1 20 20 A S E +b 53 0B 92 -2,-0.4 2,-0.3 32,-0.2 34,-0.2 -0.892 22.1 177.9-103.5 128.8 35.3 36.9 -29.6 21 21 A K E -b 54 0B 88 32,-1.7 34,-2.4 -2,-0.5 2,-0.5 -0.929 22.1-136.3-127.5 152.8 37.7 34.0 -29.0 22 22 A T E -b 55 0B 93 -2,-0.3 2,-0.4 32,-0.2 34,-0.2 -0.933 15.6-162.5-111.3 130.3 37.5 30.4 -30.1 23 23 A A E +b 56 0B 0 32,-3.1 34,-3.3 -2,-0.5 35,-0.6 -0.949 14.2 179.9-113.8 132.5 38.4 27.7 -27.6 24 24 A T S S+ 0 0 87 -2,-0.4 35,-0.3 33,-0.2 2,-0.3 0.461 72.3 18.3-107.1 -6.6 39.2 24.2 -28.8 25 25 A S S > S- 0 0 41 33,-0.1 4,-1.5 1,-0.1 -1,-0.1 -0.948 83.5-100.0-154.4 170.1 39.9 22.8 -25.3 26 26 A M H > S+ 0 0 40 -2,-0.3 4,-1.9 1,-0.2 3,-0.3 0.932 121.1 57.1 -59.3 -45.5 39.3 23.4 -21.6 27 27 A Q H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.847 102.6 53.5 -55.2 -41.1 42.8 24.8 -21.4 28 28 A D H > S+ 0 0 50 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.904 105.2 54.1 -63.1 -41.4 42.1 27.4 -24.1 29 29 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.3 5,-0.2 0.931 111.2 46.5 -58.4 -44.9 39.0 28.6 -22.2 30 30 A V H X S+ 0 0 52 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.939 114.7 45.9 -62.0 -48.8 41.2 29.1 -19.1 31 31 A N H X S+ 0 0 85 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.853 112.5 51.5 -64.5 -35.4 44.0 30.9 -21.1 32 32 A I H X S+ 0 0 24 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.934 111.1 46.1 -66.8 -48.5 41.5 33.1 -22.9 33 33 A I H < S+ 0 0 6 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.909 113.4 51.3 -61.3 -40.0 39.8 34.2 -19.6 34 34 A D H >< S+ 0 0 84 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.2 0.877 109.7 48.0 -64.9 -40.4 43.2 34.8 -18.1 35 35 A A H >< S+ 0 0 47 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.826 101.0 67.2 -68.8 -32.3 44.4 36.9 -21.1 36 36 A A T 3< S+ 0 0 0 -4,-1.8 13,-3.4 1,-0.3 14,-1.0 0.380 89.9 66.0 -70.6 3.2 41.1 38.9 -20.9 37 37 A R T < S+ 0 0 42 -3,-1.1 8,-2.4 11,-0.3 2,-0.4 0.503 84.5 88.4-101.0 -7.7 42.2 40.4 -17.6 38 38 A L B < -K 44 0C 67 -3,-1.7 6,-0.2 6,-0.2 11,-0.1 -0.767 65.3-146.5 -98.5 134.7 45.2 42.3 -19.0 39 39 A D > - 0 0 61 4,-3.1 3,-2.2 -2,-0.4 -2,-0.1 -0.205 45.2 -78.3 -83.5-176.5 44.9 45.8 -20.3 40 40 A A T 3 S+ 0 0 109 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.799 132.0 52.0 -53.8 -31.7 46.9 47.3 -23.2 41 41 A N T 3 S- 0 0 133 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.370 120.3-105.0 -88.7 3.3 49.9 47.7 -20.9 42 42 A G S < S+ 0 0 51 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.673 78.7 132.8 82.2 15.7 49.9 44.1 -19.7 43 43 A K - 0 0 128 1,-0.0 -4,-3.1 -4,-0.0 -1,-0.3 -0.728 59.4-111.0 -97.7 150.1 48.5 45.1 -16.3 44 44 A K B -K 38 0C 149 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.497 25.6-148.6 -79.6 151.7 45.6 43.2 -14.8 45 45 A V > - 0 0 45 -8,-2.4 3,-2.2 -2,-0.2 2,-0.2 -0.979 23.6-109.6-123.5 132.1 42.2 44.8 -14.4 46 46 A K T 3 S+ 0 0 174 -2,-0.4 41,-0.1 1,-0.3 40,-0.1 -0.425 105.0 8.4 -61.5 122.9 39.8 44.0 -11.6 47 47 A G B 3 S-l 87 0D 7 39,-0.5 42,-1.8 -2,-0.2 41,-1.5 0.407 132.4 -61.2 86.8 -0.4 36.8 42.1 -13.0 48 48 A G < - 0 0 0 -3,-2.2 -11,-0.3 -11,-0.2 -14,-0.1 -0.201 43.1-108.9 107.2 158.4 38.4 41.7 -16.4 49 49 A A S S+ 0 0 28 -13,-3.4 -12,-0.2 1,-0.3 -1,-0.1 0.810 90.8 2.2 -93.7 -34.4 39.7 44.1 -19.1 50 50 A Y S S- 0 0 61 -14,-1.0 -1,-0.3 40,-0.1 39,-0.1 -0.964 81.3 -87.1-151.2 160.7 37.1 43.6 -21.8 51 51 A P - 0 0 19 0, 0.0 -32,-2.2 0, 0.0 2,-0.4 -0.327 43.3-151.5 -67.9 155.9 33.8 41.6 -22.6 52 52 A L E -bc 19 91B 0 38,-2.3 40,-1.7 -34,-0.2 2,-0.4 -0.979 25.9-174.4-137.6 147.7 34.1 38.1 -24.0 53 53 A V E -bc 20 92B 9 -34,-1.7 -32,-1.7 -2,-0.4 2,-0.5 -0.916 22.8-169.2-136.4 95.5 32.1 35.7 -26.2 54 54 A I E -bc 21 93B 0 38,-2.8 40,-2.6 -2,-0.4 2,-0.6 -0.842 8.0-157.0 -94.4 125.5 34.0 32.4 -26.1 55 55 A T E -bc 22 94B 44 -34,-2.4 -32,-3.1 -2,-0.5 2,-0.6 -0.914 10.6-148.0-102.4 122.5 32.9 29.8 -28.6 56 56 A Y E +bc 23 95B 1 38,-2.9 40,-3.1 -2,-0.6 -32,-0.2 -0.835 25.1 168.3 -95.8 119.9 33.8 26.3 -27.5 57 57 A T + 0 0 61 -34,-3.3 -33,-0.2 -2,-0.6 -1,-0.1 0.420 38.3 117.9-108.0 -3.0 34.6 23.9 -30.4 58 58 A G - 0 0 7 -35,-0.6 42,-1.5 41,-0.1 2,-0.4 -0.181 47.3-156.3 -64.8 160.0 36.1 21.1 -28.4 59 59 A N + 0 0 80 -35,-0.3 3,-0.2 40,-0.3 42,-0.2 -0.986 18.1 173.9-140.6 124.6 34.6 17.7 -28.3 60 60 A E >> + 0 0 25 -2,-0.4 4,-2.1 40,-0.2 3,-0.9 -0.040 34.6 130.5-122.9 33.6 35.2 15.2 -25.5 61 61 A D H 3> S+ 0 0 50 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.824 70.8 62.7 -53.6 -34.9 32.8 12.4 -26.5 62 62 A S H 3> S+ 0 0 81 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.902 107.0 42.4 -59.4 -41.4 35.7 10.0 -26.0 63 63 A L H <> S+ 0 0 70 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.924 116.6 48.4 -70.9 -42.8 35.8 10.9 -22.3 64 64 A I H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.916 111.7 48.7 -63.9 -45.3 32.0 10.9 -21.9 65 65 A N H X S+ 0 0 103 -4,-3.3 4,-0.8 1,-0.2 -1,-0.2 0.819 112.4 48.1 -65.6 -36.2 31.6 7.5 -23.7 66 66 A A H X S+ 0 0 64 -4,-1.4 4,-0.7 -5,-0.3 -1,-0.2 0.847 113.1 48.9 -72.5 -35.6 34.3 5.9 -21.6 67 67 A A H < S+ 0 0 1 -4,-2.0 3,-0.3 1,-0.2 6,-0.2 0.833 105.9 56.7 -70.7 -37.7 32.7 7.3 -18.4 68 68 A A H >< S+ 0 0 38 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.787 108.4 47.8 -64.4 -29.5 29.2 6.1 -19.4 69 69 A A H 3< S+ 0 0 92 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.651 121.4 36.3 -85.0 -18.3 30.6 2.6 -19.6 70 70 A N T >< S+ 0 0 97 -4,-0.7 3,-1.9 -3,-0.3 4,-0.4 -0.467 70.8 160.0-134.0 60.2 32.3 2.9 -16.2 71 71 A I G X S+ 0 0 39 -3,-0.5 3,-1.2 1,-0.3 4,-0.4 0.860 73.5 52.4 -47.8 -48.4 29.8 5.0 -14.2 72 72 A a G 3 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.461 98.5 65.5 -75.0 -0.6 31.2 3.9 -10.8 73 73 A G G < S+ 0 0 18 -3,-1.9 4,-0.3 -6,-0.2 -1,-0.2 0.535 87.4 72.1 -98.1 -4.6 34.8 4.8 -11.7 74 74 A Q S X S+ 0 0 4 -3,-1.2 51,-2.8 -4,-0.4 3,-1.3 0.847 78.8 67.6 -79.4 -38.4 34.1 8.6 -12.0 75 75 A W T 3 S+ 0 0 61 -4,-0.4 52,-1.3 1,-0.3 53,-0.3 0.786 100.6 49.2 -56.8 -31.2 33.6 9.7 -8.4 76 76 A S T 3 S+ 0 0 65 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.575 91.3 97.3 -84.9 -15.0 37.2 9.2 -7.3 77 77 A K S < S- 0 0 104 -3,-1.3 51,-0.2 -4,-0.3 50,-0.1 -0.286 90.6 -86.4 -71.7 162.5 38.8 11.0 -10.2 78 78 A D - 0 0 128 1,-0.1 -1,-0.1 46,-0.1 2,-0.1 -0.455 50.5-112.6 -67.2 140.3 40.0 14.6 -10.0 79 79 A P - 0 0 41 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.459 28.6-148.3 -74.6 150.4 37.2 17.0 -10.8 80 80 A R + 0 0 64 44,-0.5 24,-2.6 22,-0.1 2,-0.3 -0.983 32.6 130.6-124.4 132.0 37.5 19.0 -14.1 81 81 A G E -m 104 0E 16 -2,-0.4 2,-0.5 22,-0.3 24,-0.2 -0.967 50.9-116.5-173.9 154.1 36.1 22.4 -14.6 82 82 A V E -m 105 0E 1 22,-2.5 24,-3.0 -2,-0.3 2,-0.5 -0.886 33.0-146.6 -97.2 126.0 36.8 26.0 -15.8 83 83 A E E -m 106 0E 105 -2,-0.5 2,-0.9 22,-0.2 24,-0.2 -0.865 9.7-163.6 -99.6 124.7 36.5 28.4 -13.0 84 84 A I E +m 107 0E 0 22,-2.7 24,-2.6 -2,-0.5 2,-0.5 -0.832 23.9 176.5-106.4 87.3 35.1 31.9 -13.8 85 85 A K E -m 108 0E 98 -2,-0.9 24,-0.2 1,-0.2 -38,-0.1 -0.850 57.9 -15.7-100.7 126.8 36.2 33.8 -10.7 86 86 A E S S+ 0 0 68 22,-2.4 2,-0.6 -2,-0.5 -39,-0.5 0.853 84.6 143.0 51.2 48.0 35.7 37.5 -10.3 87 87 A F B +l 47 0D 0 -3,-0.3 24,-1.3 21,-0.2 -39,-0.2 -0.954 10.5 158.2-118.3 112.6 35.0 38.4 -13.9 88 88 A T + 0 0 60 -41,-1.5 -40,-0.2 -2,-0.6 -1,-0.1 0.532 47.6 91.2-113.2 -8.0 32.3 41.1 -14.3 89 89 A K S S- 0 0 81 -42,-1.8 -1,-0.1 1,-0.2 -41,-0.1 0.724 104.1 -86.9 -61.1 -22.9 32.9 42.6 -17.7 90 90 A G - 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