==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PECTATE CLEAVAGE 24-APR-97 1AIR . COMPND 2 MOLECULE: PECTATE LYASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR S.E.LIETZKE,R.D.SCAVETTA,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) . 13400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 73.3 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 . 30 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 6.8 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 1 1 1 0 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 0 127 0, 0.0 13,-0.1 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 150.8 18.8 42.3 -25.3 2 2 A T + 0 0 83 7,-0.1 8,-1.0 9,-0.1 2,-0.5 0.351 360.0 120.3-106.7 1.9 19.0 41.5 -21.6 3 3 A D B +A 9 0A 102 6,-0.2 6,-0.1 1,-0.2 4,-0.1 -0.561 25.3 164.1 -74.5 120.5 15.7 39.6 -21.5 4 4 A T - 0 0 6 4,-0.6 -1,-0.2 -2,-0.5 3,-0.1 0.456 58.9-108.6-111.9 -5.2 16.2 36.0 -20.4 5 5 A G S S+ 0 0 7 1,-0.4 2,-0.2 316,-0.2 4,-0.1 0.601 95.6 54.3 83.6 14.8 12.6 35.2 -19.6 6 6 A G S S- 0 0 6 2,-0.5 -2,-0.5 173,-0.1 -1,-0.4 -0.849 109.5 -62.1-157.8-169.7 13.4 35.2 -16.0 7 7 A Y S S+ 0 0 30 171,-0.4 2,-0.3 -2,-0.2 172,-0.2 0.767 101.6 89.0 -59.4 -33.0 15.0 37.2 -13.1 8 8 A A - 0 0 1 133,-0.1 2,-0.6 198,-0.1 -4,-0.6 -0.551 58.4-167.8 -71.2 128.6 18.5 37.3 -14.7 9 9 A A B +A 3 0A 49 -2,-0.3 2,-0.3 -6,-0.1 -6,-0.2 -0.861 35.9 124.0-117.6 94.6 18.8 40.4 -16.9 10 10 A T - 0 0 2 -8,-1.0 3,-0.1 -2,-0.6 131,-0.0 -0.998 50.5-165.5-155.1 153.1 22.0 39.9 -18.9 11 11 A A > - 0 0 21 -2,-0.3 3,-2.2 1,-0.3 2,-0.2 0.279 40.4-155.6-112.6 -0.0 23.6 39.7 -22.4 12 12 A G T 3 - 0 0 3 1,-0.3 -1,-0.3 128,-0.2 80,-0.2 -0.427 68.8 -15.0 62.7-121.7 26.7 38.2 -20.9 13 13 A G T 3 S+ 0 0 0 -2,-0.2 2,-2.1 77,-0.2 -1,-0.3 0.435 109.6 100.7 -94.5 -2.0 29.6 38.9 -23.3 14 14 A N < + 0 0 102 -3,-2.2 2,-0.2 77,-0.1 -1,-0.1 -0.451 62.6 110.3 -82.6 65.1 27.5 40.0 -26.2 15 15 A V S > S- 0 0 66 -2,-2.1 3,-1.3 75,-0.1 2,-0.3 -0.571 79.5 -59.5-124.7-174.2 28.0 43.7 -25.6 16 16 A T T 3 S+ 0 0 144 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 -0.580 121.8 16.3 -73.2 128.8 29.8 46.6 -27.1 17 17 A G T 3 S+ 0 0 57 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.608 86.5 160.1 85.4 12.2 33.5 46.0 -27.4 18 18 A A < - 0 0 33 -3,-1.3 2,-0.5 32,-0.1 -1,-0.2 -0.386 32.4-142.8 -68.9 144.2 33.3 42.3 -26.9 19 19 A V E -b 52 0B 48 32,-2.4 34,-2.0 -2,-0.1 2,-0.4 -0.941 11.3-146.9-109.9 128.7 36.2 40.2 -28.1 20 20 A S E +b 53 0B 90 -2,-0.5 2,-0.3 32,-0.2 34,-0.2 -0.826 21.5 173.8 -97.6 136.0 35.4 36.8 -29.6 21 21 A K E -b 54 0B 94 32,-2.2 34,-2.6 -2,-0.4 2,-0.5 -0.941 25.3-131.4-136.6 156.6 37.7 33.9 -29.2 22 22 A T E -b 55 0B 86 -2,-0.3 2,-0.5 32,-0.2 34,-0.2 -0.943 15.9-161.0-112.9 130.9 37.5 30.2 -30.1 23 23 A A E -b 56 0B 0 32,-3.1 34,-3.2 -2,-0.5 35,-0.6 -0.945 12.2-178.3-111.6 130.8 38.4 27.6 -27.5 24 24 A T S S+ 0 0 83 -2,-0.5 35,-0.3 33,-0.2 2,-0.3 0.377 71.6 13.5-106.1 -0.5 39.3 24.1 -28.7 25 25 A S S > S- 0 0 40 33,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.972 84.9 -94.4-161.9 171.5 39.8 22.7 -25.3 26 26 A M H > S+ 0 0 37 -2,-0.3 4,-1.9 1,-0.2 3,-0.2 0.926 123.0 54.1 -61.1 -42.7 39.2 23.3 -21.6 27 27 A Q H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.869 102.4 56.2 -61.6 -38.2 42.8 24.7 -21.3 28 28 A D H > S+ 0 0 52 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.924 106.3 51.6 -59.6 -42.0 42.1 27.2 -24.1 29 29 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.908 109.7 49.4 -61.3 -43.4 39.1 28.5 -22.1 30 30 A V H X S+ 0 0 47 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.943 114.2 44.9 -60.4 -47.3 41.3 28.9 -19.0 31 31 A N H X S+ 0 0 82 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.889 110.2 54.4 -65.8 -39.8 44.0 30.8 -21.0 32 32 A I H X S+ 0 0 23 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.925 110.0 46.0 -60.6 -45.9 41.4 33.0 -22.8 33 33 A I H < S+ 0 0 6 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.881 111.5 53.0 -65.2 -39.5 39.9 34.2 -19.6 34 34 A D H >< S+ 0 0 75 -4,-1.9 3,-1.7 1,-0.2 4,-0.3 0.948 110.2 46.5 -60.9 -48.9 43.3 34.8 -18.1 35 35 A A H >< S+ 0 0 45 -4,-2.6 3,-2.2 1,-0.3 -1,-0.2 0.888 102.0 67.3 -61.4 -35.1 44.4 37.0 -21.0 36 36 A A T 3< S+ 0 0 0 -4,-2.0 13,-3.0 1,-0.3 14,-1.1 0.495 91.3 64.0 -66.8 -0.9 41.0 38.8 -20.8 37 37 A R T < S+ 0 0 47 -3,-1.7 8,-3.3 11,-0.3 2,-0.4 0.597 85.0 91.3 -97.1 -10.2 42.1 40.3 -17.5 38 38 A L B < -K 44 0C 66 -3,-2.2 6,-0.2 -4,-0.3 11,-0.1 -0.709 63.8-146.0 -94.9 131.6 45.1 42.2 -19.0 39 39 A D > - 0 0 60 4,-3.4 3,-2.0 -2,-0.4 -1,-0.1 -0.101 45.7 -78.9 -77.8-173.8 44.8 45.8 -20.2 40 40 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.816 131.8 50.7 -59.0 -29.5 46.8 47.3 -23.1 41 41 A N T 3 S- 0 0 134 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.227 120.3-104.3 -94.0 13.9 49.9 47.6 -20.9 42 42 A G S < S+ 0 0 50 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.625 78.9 133.3 76.8 8.3 49.9 44.0 -19.6 43 43 A K - 0 0 140 1,-0.0 -4,-3.4 0, 0.0 -1,-0.3 -0.679 61.3-108.8 -89.1 150.8 48.5 45.1 -16.2 44 44 A K B -K 38 0C 159 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.578 25.6-147.6 -81.1 141.8 45.6 43.1 -14.7 45 45 A V > - 0 0 45 -8,-3.3 3,-2.2 -2,-0.2 2,-0.2 -0.944 22.9-115.3-111.7 125.3 42.2 44.8 -14.5 46 46 A K T 3 S+ 0 0 177 -2,-0.5 41,-0.1 1,-0.3 40,-0.1 -0.446 102.3 12.6 -61.3 126.5 40.0 43.9 -11.6 47 47 A G B 3 S-l 87 0D 7 39,-0.5 41,-2.1 -2,-0.2 42,-1.4 0.355 134.5 -59.9 87.7 -3.9 36.8 42.2 -12.9 48 48 A G < - 0 0 0 -3,-2.2 -11,-0.3 -11,-0.2 -12,-0.1 -0.146 41.4-114.3 108.4 150.6 38.4 41.7 -16.4 49 49 A A S S+ 0 0 29 -13,-3.0 -12,-0.2 1,-0.2 -1,-0.1 0.817 91.1 4.6 -89.1 -34.6 39.7 44.1 -19.0 50 50 A Y S S- 0 0 57 -14,-1.1 -1,-0.2 -5,-0.1 39,-0.2 -0.964 80.4 -92.4-148.7 160.4 37.2 43.5 -21.7 51 51 A P - 0 0 19 0, 0.0 -32,-2.4 0, 0.0 2,-0.4 -0.448 43.6-150.5 -72.9 152.5 33.9 41.5 -22.5 52 52 A L E -bc 19 91B 0 38,-2.1 40,-1.7 -34,-0.2 2,-0.5 -0.952 25.2-169.9-132.7 148.0 34.2 38.0 -24.0 53 53 A V E -bc 20 92B 7 -34,-2.0 -32,-2.2 -2,-0.4 2,-0.6 -0.935 20.7-169.5-131.4 101.2 32.4 35.6 -26.2 54 54 A I E -bc 21 93B 0 38,-2.8 40,-2.3 -2,-0.5 2,-0.6 -0.866 7.7-159.7 -98.3 116.5 34.1 32.3 -26.1 55 55 A T E -bc 22 94B 45 -34,-2.6 -32,-3.1 -2,-0.6 2,-0.7 -0.867 11.5-150.6 -95.4 119.1 33.0 29.8 -28.7 56 56 A Y E +bc 23 95B 1 38,-2.9 40,-2.5 -2,-0.6 -32,-0.2 -0.832 24.1 169.2 -95.1 114.1 33.9 26.3 -27.5 57 57 A T + 0 0 61 -34,-3.2 -33,-0.2 -2,-0.7 -1,-0.1 0.388 36.7 121.5-103.0 2.1 34.6 23.9 -30.3 58 58 A G - 0 0 6 -35,-0.6 42,-1.8 41,-0.1 2,-0.4 -0.162 45.1-156.3 -65.4 161.4 36.1 21.1 -28.3 59 59 A N + 0 0 82 -35,-0.3 3,-0.2 40,-0.3 42,-0.2 -0.971 19.9 171.0-142.7 124.1 34.8 17.6 -28.2 60 60 A E >> + 0 0 30 -2,-0.4 4,-2.2 1,-0.1 3,-0.8 -0.085 32.5 132.3-123.9 35.4 35.3 15.0 -25.4 61 61 A D H 3> S+ 0 0 51 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.833 70.1 62.0 -55.2 -35.8 32.9 12.3 -26.4 62 62 A S H 3> S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.903 107.1 43.7 -57.7 -42.4 35.6 9.7 -25.9 63 63 A L H <> S+ 0 0 79 -3,-0.8 4,-2.8 2,-0.2 -2,-0.2 0.953 116.0 47.5 -67.3 -48.2 35.8 10.7 -22.2 64 64 A I H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.935 114.0 46.6 -60.0 -47.5 32.0 10.8 -21.8 65 65 A N H X S+ 0 0 99 -4,-3.5 4,-1.0 2,-0.2 -1,-0.2 0.840 112.2 49.9 -66.4 -35.6 31.5 7.4 -23.6 66 66 A A H >< S+ 0 0 63 -4,-1.8 3,-0.7 -5,-0.3 4,-0.5 0.956 113.1 47.5 -67.2 -46.2 34.3 5.8 -21.6 67 67 A A H >< S+ 0 0 4 -4,-2.8 3,-1.3 1,-0.2 6,-0.2 0.879 106.0 56.9 -60.2 -43.1 32.7 7.1 -18.4 68 68 A A H 3< S+ 0 0 37 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.781 106.8 51.3 -60.2 -27.6 29.2 6.0 -19.4 69 69 A A T << S+ 0 0 91 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.553 121.1 32.2 -86.0 -12.4 30.5 2.4 -19.7 70 70 A N S X S+ 0 0 96 -3,-1.3 3,-1.7 -4,-0.5 -1,-0.2 -0.497 70.5 165.4-144.7 67.4 32.1 2.5 -16.2 71 71 A I G > S+ 0 0 41 -3,-0.5 3,-1.3 1,-0.3 4,-0.4 0.854 72.4 55.6 -52.4 -44.7 29.8 4.7 -14.1 72 72 A a G 3 S+ 0 0 57 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.427 95.6 66.6 -77.4 3.8 31.3 3.7 -10.8 73 73 A G G < S+ 0 0 17 -3,-1.7 -1,-0.3 -6,-0.2 4,-0.2 0.421 86.5 73.1-102.3 4.1 34.8 4.7 -11.6 74 74 A Q S X S+ 0 0 4 -3,-1.3 51,-2.8 -4,-0.2 3,-1.6 0.876 78.6 65.7 -85.2 -41.9 34.1 8.4 -11.9 75 75 A W T 3 S+ 0 0 59 -4,-0.4 52,-1.5 1,-0.3 53,-0.2 0.783 102.1 49.6 -55.0 -31.6 33.7 9.6 -8.3 76 76 A S T 3 S+ 0 0 63 -4,-0.2 -1,-0.3 50,-0.1 -2,-0.1 0.538 91.8 94.1 -87.1 -9.2 37.2 8.9 -7.3 77 77 A K S < S- 0 0 100 -3,-1.6 50,-0.2 -4,-0.2 51,-0.2 -0.301 92.0 -81.6 -77.5 167.5 38.9 10.7 -10.2 78 78 A D - 0 0 129 1,-0.1 -1,-0.1 46,-0.1 48,-0.1 -0.443 49.0-115.1 -68.1 140.4 40.1 14.3 -10.1 79 79 A P - 0 0 42 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.437 28.3-151.6 -73.3 156.7 37.3 16.8 -10.7 80 80 A R + 0 0 61 44,-0.5 24,-2.7 51,-0.1 2,-0.3 -0.995 29.5 137.0-132.7 127.5 37.7 18.9 -13.9 81 81 A G E -m 104 0E 22 -2,-0.4 2,-0.5 22,-0.3 24,-0.2 -0.984 48.3-119.4-168.4 154.1 36.3 22.4 -14.3 82 82 A V E -m 105 0E 1 22,-2.8 24,-3.3 -2,-0.3 2,-0.5 -0.865 31.3-146.6 -97.2 126.5 36.8 25.9 -15.6 83 83 A E E -m 106 0E 110 -2,-0.5 2,-0.7 22,-0.2 24,-0.2 -0.853 10.7-166.9 -98.5 126.7 36.6 28.4 -12.8 84 84 A I E +m 107 0E 0 22,-3.2 24,-2.5 -2,-0.5 2,-0.5 -0.854 23.2 174.7-113.1 89.8 35.2 31.8 -13.7 85 85 A K E -m 108 0E 97 -2,-0.7 24,-0.2 1,-0.2 -38,-0.1 -0.855 57.0 -15.9-106.4 130.2 36.1 33.8 -10.7 86 86 A E S S+ 0 0 62 22,-2.3 2,-0.6 -2,-0.5 -39,-0.5 0.860 83.9 143.3 47.2 47.7 35.6 37.6 -10.2 87 87 A F B +l 47 0D 0 21,-0.3 24,-1.5 -3,-0.3 -1,-0.2 -0.965 10.8 158.1-115.9 113.9 35.1 38.3 -13.9 88 88 A T + 0 0 63 -41,-2.1 -40,-0.2 -2,-0.6 -1,-0.1 0.368 46.1 91.1-119.9 3.5 32.4 41.0 -14.2 89 89 A K S S- 0 0 83 -42,-1.4 -41,-0.1 -39,-0.2 -1,-0.1 0.671 104.5 -88.7 -73.2 -17.6 32.9 42.6 -17.7 90 90 A G - 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