==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-NOV-07 3B8Y . COMPND 2 MOLECULE: ENDO-PECTATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR C.CREZE,S.CASTANG,E.DERIVERY,R.HASER,V.SHEVCHIK,P.GOUET . 598 9 10 8 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 452 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 206 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 15.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 76 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 5.0 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+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 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 . 0 4 6 14 6 4 0 0 0 2 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 2 3 3 2 0 1 3 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 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 20 A A 0 0 84 0, 0.0 2,-0.3 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0-171.6 -17.6 9.5 19.2 2 21 A Q - 0 0 115 77,-0.1 19,-1.5 2,-0.0 2,-0.4 -0.990 360.0-153.5-155.1 149.6 -17.3 7.4 16.1 3 22 A T E -A 20 0A 4 77,-0.4 79,-0.7 -2,-0.3 2,-0.5 -0.998 11.1-161.6-127.1 124.3 -15.7 4.2 15.0 4 23 A T E -A 19 0A 16 15,-2.4 15,-1.8 -2,-0.4 2,-0.4 -0.952 11.2-162.6-111.3 123.5 -14.8 3.7 11.3 5 24 A L E -A 18 0A 4 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.876 9.6-177.9-110.2 142.1 -14.2 0.1 10.2 6 25 A M E -A 17 0A 5 11,-3.3 11,-2.5 -2,-0.4 2,-0.4 -0.950 12.0-147.0-133.7 151.4 -12.5 -1.2 7.1 7 26 A L E -A 16 0A 15 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.953 9.3-172.4-125.6 141.4 -11.9 -4.7 5.8 8 27 A S E -A 15 0A 2 7,-2.6 7,-3.1 -2,-0.4 2,-0.7 -0.997 11.6-153.8-131.0 126.3 -9.1 -6.4 3.9 9 28 A Q E +A 14 0A 92 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.903 27.4 157.5-104.4 112.1 -9.3 -9.9 2.5 10 29 A K E > -A 13 0A 37 3,-2.0 3,-0.8 -2,-0.7 198,-0.1 -0.976 63.8 -11.9-139.5 125.3 -5.9 -11.6 2.1 11 30 A S T 3 S- 0 0 102 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.919 122.9 -55.6 53.3 53.9 -5.1 -15.3 1.9 12 31 A D T 3 S+ 0 0 122 1,-0.2 2,-0.4 -3,-0.0 47,-0.4 0.715 116.7 111.1 54.8 23.6 -8.5 -16.6 3.1 13 32 A V E < -A 10 0A 19 -3,-0.8 -3,-2.0 45,-0.1 2,-0.6 -0.974 64.1-137.2-125.2 138.9 -8.2 -14.5 6.3 14 33 A N E -AB 9 56A 0 42,-2.9 42,-2.8 -2,-0.4 2,-0.5 -0.889 17.6-162.1-100.5 119.7 -10.3 -11.4 7.0 15 34 A Y E -AB 8 55A 9 -7,-3.1 -7,-2.6 -2,-0.6 2,-0.4 -0.887 3.2-159.3-102.0 127.1 -8.3 -8.4 8.4 16 35 A L E -AB 7 54A 0 38,-3.1 38,-2.0 -2,-0.5 2,-0.4 -0.892 9.8-178.5-108.9 136.6 -10.2 -5.7 10.2 17 36 A G E +AB 6 53A 0 -11,-2.5 -11,-3.3 -2,-0.4 2,-0.3 -1.000 10.0 165.4-133.9 130.9 -8.8 -2.2 10.7 18 37 A W E -A 5 0A 1 34,-2.3 2,-0.3 -2,-0.4 -13,-0.2 -0.978 23.1-152.3-144.9 156.2 -10.6 0.6 12.5 19 38 A S E -A 4 0A 4 -15,-1.8 -15,-2.4 -2,-0.3 2,-0.3 -0.925 15.6-173.0-124.3 151.0 -10.0 4.0 14.1 20 39 A T E -A 3 0A 12 -2,-0.3 -17,-0.2 -17,-0.2 -2,-0.0 -0.995 25.2-156.2-145.5 143.1 -12.0 5.4 17.0 21 40 A D + 0 0 97 -19,-1.5 2,-0.2 -2,-0.3 -18,-0.1 0.142 54.0 128.9-103.0 18.0 -12.0 8.8 18.6 22 41 A E - 0 0 36 -20,-0.3 3,-0.3 1,-0.1 -2,-0.1 -0.539 48.4-151.3 -72.6 138.3 -13.4 7.4 21.9 23 42 A S S S+ 0 0 99 -2,-0.2 2,-0.6 1,-0.2 -1,-0.1 0.913 77.4 35.0 -83.0 -51.2 -11.2 8.6 24.9 24 43 A K S S- 0 0 127 0, 0.0 50,-2.0 0, 0.0 -1,-0.2 -0.598 76.0-173.7-110.0 72.6 -11.3 6.1 27.8 25 44 A V E +C 73 0B 22 -2,-0.6 48,-0.3 -3,-0.3 24,-0.1 -0.435 16.3 172.3 -68.7 132.8 -11.4 2.8 26.0 26 45 A A E - 0 0 36 46,-2.9 23,-0.3 1,-0.4 2,-0.3 0.723 65.6 -16.6-107.2 -38.3 -11.9 -0.3 28.2 27 46 A R E -C 72 0B 66 45,-1.6 45,-2.6 21,-0.2 -1,-0.4 -0.983 52.5-138.7-163.0 165.1 -12.5 -3.0 25.6 28 47 A Q E -CD 71 47B 0 19,-1.7 19,-3.8 -2,-0.3 2,-0.4 -0.999 15.5-157.8-136.5 132.8 -13.4 -3.6 22.0 29 48 A E E -CD 70 46B 12 41,-2.9 41,-3.3 -2,-0.4 2,-0.4 -0.926 5.9-147.9-117.8 136.6 -15.7 -6.3 20.7 30 49 A V E -CD 69 45B 0 15,-2.6 14,-2.1 -2,-0.4 15,-1.2 -0.856 15.0-166.4-102.2 133.5 -15.8 -7.8 17.2 31 50 A Y E -CD 68 43B 30 37,-3.0 37,-1.9 -2,-0.4 2,-0.4 -0.947 4.1-172.7-120.3 142.0 -19.1 -8.9 15.8 32 51 A R E +CD 67 42B 31 10,-2.8 10,-2.0 -2,-0.4 2,-0.3 -0.989 4.8 175.6-137.8 143.8 -19.7 -11.1 12.8 33 52 A G E -C 66 0B 6 33,-2.2 33,-2.2 -2,-0.4 8,-0.1 -0.924 35.6-133.7-141.3 164.1 -22.8 -12.2 10.9 34 53 A T S S+ 0 0 88 -2,-0.3 2,-0.3 6,-0.2 30,-0.2 0.312 92.9 37.6 -98.8 4.4 -23.7 -14.2 7.7 35 54 A T S S- 0 0 55 2,-0.2 31,-0.2 31,-0.1 -2,-0.1 -0.891 91.1-101.5-143.6 175.6 -26.2 -11.5 6.7 36 55 A S S S+ 0 0 78 -2,-0.3 5,-0.1 29,-0.1 -1,-0.0 0.767 85.0 109.4 -71.9 -27.3 -26.6 -7.7 6.6 37 56 A N > - 0 0 72 1,-0.2 3,-2.2 2,-0.1 4,-0.3 -0.363 54.9-160.6 -61.4 106.0 -28.9 -7.8 9.7 38 57 A P G > S+ 0 0 49 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.799 90.1 64.4 -55.0 -34.0 -27.1 -6.3 12.7 39 58 A D G 3 S+ 0 0 146 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.699 100.7 51.9 -66.1 -18.1 -29.6 -8.0 15.0 40 59 A L G < S+ 0 0 113 -3,-2.2 -1,-0.3 -5,-0.1 -6,-0.2 0.409 86.1 110.6 -98.5 -0.9 -28.3 -11.4 13.8 41 60 A R < - 0 0 75 -3,-1.4 2,-0.3 -4,-0.3 -8,-0.2 -0.280 51.9-153.0 -72.2 162.6 -24.6 -10.7 14.4 42 61 A E E -D 32 0B 121 -10,-2.0 -10,-2.8 -2,-0.0 2,-0.5 -0.982 23.2-102.5-140.8 149.1 -22.7 -12.5 17.1 43 62 A R E +D 31 0B 154 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.569 36.8 168.8 -72.0 116.0 -19.6 -11.7 19.3 44 63 A I E + 0 0 54 -14,-2.1 2,-0.3 -2,-0.5 -13,-0.2 0.431 66.6 12.8-106.6 -1.3 -16.7 -13.6 17.9 45 64 A A E -D 30 0B 20 -15,-1.2 -15,-2.6 2,-0.0 2,-0.5 -0.916 46.8-157.2-174.8 144.4 -14.1 -11.7 20.0 46 65 A V E -D 29 0B 95 -2,-0.3 -17,-0.2 -17,-0.2 2,-0.2 -0.998 31.9-175.5-124.8 116.9 -13.5 -9.4 23.0 47 66 A L E -D 28 0B 35 -19,-3.8 -19,-1.7 -2,-0.5 -2,-0.0 -0.629 26.4 -90.6-110.4 171.8 -10.2 -7.6 22.6 48 67 A D - 0 0 83 -2,-0.2 -1,-0.2 -21,-0.2 -21,-0.2 -0.062 42.6 -99.8 -71.2-178.3 -8.1 -5.2 24.8 49 68 A A S S+ 0 0 32 -23,-0.3 -22,-0.1 1,-0.1 -24,-0.1 0.597 109.9 51.4 -81.3 -16.6 -8.3 -1.4 24.6 50 69 A E S S+ 0 0 82 -24,-0.1 -1,-0.1 -22,-0.1 -23,-0.0 0.843 79.5 95.5 -93.9 -38.8 -5.2 -0.7 22.5 51 70 A T - 0 0 8 1,-0.1 152,-0.2 -23,-0.1 -4,-0.1 -0.181 41.2-176.5 -55.8 145.3 -5.4 -2.9 19.4 52 71 A R + 0 0 36 150,-2.0 -34,-2.3 126,-0.1 126,-0.4 0.177 66.0 60.0-125.1 12.3 -6.9 -1.2 16.3 53 72 A T E -B 17 0A 3 -36,-0.2 2,-0.3 124,-0.1 -36,-0.2 -0.937 58.2-167.8-138.8 158.6 -6.8 -4.4 14.1 54 73 A F E -B 16 0A 35 -38,-2.0 -38,-3.1 -2,-0.3 2,-0.5 -0.992 11.5-147.0-151.3 142.6 -8.2 -7.9 14.2 55 74 A K E -B 15 0A 74 -2,-0.3 2,-0.6 -40,-0.2 -40,-0.2 -0.938 8.9-171.4-114.9 121.7 -7.6 -11.2 12.3 56 75 A D E +B 14 0A 10 -42,-2.8 -42,-2.9 -2,-0.5 3,-0.1 -0.930 20.0 156.3-114.5 104.4 -10.4 -13.6 11.6 57 76 A A + 0 0 62 -2,-0.6 2,-0.9 -44,-0.2 -1,-0.1 0.490 56.7 84.8-102.4 -8.6 -9.0 -16.8 10.1 58 77 A D + 0 0 134 -44,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.354 66.6 111.6 -92.5 52.4 -12.0 -19.0 11.2 59 78 A T - 0 0 28 -2,-0.9 2,-0.4 -47,-0.4 6,-0.0 -0.943 57.6-140.4-125.2 145.9 -14.1 -18.2 8.2 60 79 A N > - 0 0 94 -2,-0.4 3,-0.8 4,-0.1 -2,-0.0 -0.898 22.5-124.4-107.7 135.2 -15.2 -20.5 5.3 61 80 A S T 3 S+ 0 0 86 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.096 91.4 53.6 -65.7 174.6 -15.3 -19.2 1.8 62 81 A G T 3 S+ 0 0 87 1,-0.2 2,-0.5 0, 0.0 -1,-0.2 0.240 96.9 91.4 80.9 -18.8 -18.4 -19.3 -0.4 63 82 A L S < S- 0 0 85 -3,-0.8 -1,-0.2 23,-0.0 2,-0.1 -0.955 73.1-139.0-113.3 126.2 -20.1 -17.5 2.5 64 83 A N - 0 0 82 -2,-0.5 2,-0.3 -30,-0.2 -4,-0.1 -0.469 20.8-155.3 -78.1 155.2 -20.3 -13.7 2.7 65 84 A Y - 0 0 8 -2,-0.1 21,-1.6 -6,-0.0 22,-0.4 -0.980 12.7-155.1-137.0 148.3 -19.7 -12.0 6.0 66 85 A W E -CE 33 85B 45 -33,-2.2 -33,-2.2 -2,-0.3 2,-0.4 -0.938 18.4-164.6-119.3 141.3 -20.6 -8.7 7.7 67 86 A Y E +CE 32 84B 0 17,-2.9 17,-1.4 -2,-0.4 2,-0.3 -0.966 13.1 176.8-132.0 149.0 -18.5 -7.2 10.5 68 87 A W E -C 31 0B 11 -37,-1.9 -37,-3.0 -2,-0.4 2,-0.4 -0.962 16.1-148.8-142.0 152.4 -18.9 -4.6 13.2 69 88 A V E -C 30 0B 0 -2,-0.3 12,-2.4 13,-0.3 2,-0.6 -0.998 8.2-154.8-127.6 126.3 -16.5 -3.5 15.9 70 89 A D E -CF 29 80B 5 -41,-3.3 -41,-2.9 -2,-0.4 2,-0.6 -0.911 4.2-161.0-105.0 114.3 -17.9 -2.1 19.2 71 90 A V E -CF 28 79B 0 8,-2.1 8,-3.4 -2,-0.6 2,-0.5 -0.874 12.1-164.9 -96.4 116.0 -15.6 0.2 21.1 72 91 A V E -CF 27 78B 0 -45,-2.6 -46,-2.9 -2,-0.6 -45,-1.6 -0.901 4.3-148.7-107.9 130.7 -16.7 0.4 24.8 73 92 A S E > -C 25 0B 8 4,-2.2 3,-1.4 -2,-0.5 -48,-0.2 -0.227 34.0 -98.4 -86.0 178.2 -15.5 3.2 27.1 74 93 A E T 3 S+ 0 0 117 -50,-2.0 -49,-0.1 1,-0.3 -1,-0.1 0.847 125.5 59.6 -66.1 -33.2 -14.9 3.0 30.9 75 94 A N T 3 S- 0 0 145 -51,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.137 122.1-112.5 -80.2 19.1 -18.3 4.6 31.5 76 95 A Q < + 0 0 105 -3,-1.4 2,-0.2 1,-0.2 -2,-0.1 0.615 65.2 154.8 57.4 18.9 -19.6 1.5 29.6 77 96 A A - 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