==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-NOV-07 3B90 . 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 . 452 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 203 44.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.5 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 . 4 0.9 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 0.4 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 . 45 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.4 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 0.4 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 6 12 11 6 2 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 . 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 1 119 A S 0 0 112 0, 0.0 2,-0.3 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 38.5 -14.4 3.7 26.3 2 120 A E - 0 0 130 12,-0.0 2,-0.8 2,-0.0 14,-0.1 -0.754 360.0-122.4-102.5 151.7 -12.9 7.2 26.2 3 121 A a + 0 0 8 -2,-0.3 33,-0.1 13,-0.1 40,-0.0 -0.819 52.4 134.4 -99.7 106.5 -9.2 8.0 26.0 4 122 A K > - 0 0 124 -2,-0.8 3,-2.1 31,-0.1 17,-0.1 -0.968 61.9 -71.7-146.8 157.4 -8.0 10.0 28.9 5 123 A P T 3 S+ 0 0 52 0, 0.0 31,-0.2 0, 0.0 30,-0.2 -0.218 119.0 26.8 -52.3 133.9 -5.0 10.0 31.3 6 124 A G T 3 S+ 0 0 52 29,-1.6 30,-0.2 28,-0.3 29,-0.1 0.250 87.6 147.6 95.4 -10.5 -5.2 7.2 33.8 7 125 A A E < -a 36 0A 12 -3,-2.1 30,-2.1 28,-0.7 2,-0.4 -0.238 32.0-161.1 -62.3 141.4 -7.3 5.0 31.5 8 126 A T E -a 37 0A 69 28,-0.2 2,-0.4 2,-0.0 30,-0.2 -0.995 4.1-163.3-125.3 119.6 -6.8 1.2 31.6 9 127 A F E -a 38 0A 2 28,-2.8 30,-1.8 -2,-0.4 2,-0.3 -0.898 10.8-178.8-105.6 139.0 -8.0 -0.9 28.6 10 128 A E E -a 39 0A 101 -2,-0.4 30,-0.2 28,-0.2 31,-0.1 -0.998 58.1 -9.0-143.3 133.9 -8.5 -4.6 29.0 11 129 A N S S+ 0 0 112 28,-2.0 2,-0.3 -2,-0.3 30,-0.2 0.850 113.3 71.7 50.8 46.0 -9.6 -7.4 26.6 12 130 A R S S- 0 0 93 28,-0.3 30,-2.2 27,-0.2 2,-0.4 -0.983 78.3-106.4-173.2 166.3 -10.6 -5.0 23.8 13 131 A T E -b 42 0A 82 -2,-0.3 2,-0.5 28,-0.2 30,-0.2 -0.885 30.3-158.9-107.5 135.9 -9.5 -2.7 21.1 14 132 A V E -b 43 0A 1 28,-3.1 30,-1.8 -2,-0.4 2,-0.7 -0.971 7.5-158.7-122.2 128.1 -9.9 1.1 21.6 15 133 A D E -b 44 0A 91 -2,-0.5 30,-0.2 28,-0.2 -12,-0.1 -0.913 2.5-167.6-105.1 110.0 -10.0 3.7 18.8 16 134 A a > - 0 0 6 28,-2.7 3,-1.6 -2,-0.7 29,-0.1 0.386 33.5-126.3 -78.9 2.0 -9.2 7.1 20.3 17 135 A G T 3 - 0 0 62 1,-0.3 29,-0.2 27,-0.2 28,-0.1 0.638 60.4 -68.3 63.4 16.4 -10.3 9.0 17.2 18 136 A G T 3 S+ 0 0 35 27,-3.0 -1,-0.3 26,-0.4 28,-0.2 0.557 88.2 158.0 81.0 9.5 -7.0 10.9 16.8 19 137 A V < - 0 0 57 -3,-1.6 28,-2.6 26,-0.4 2,-0.4 -0.261 39.7-123.1 -68.6 151.7 -7.6 12.9 20.0 20 138 A T E +c 47 0A 74 26,-0.2 2,-0.3 28,-0.1 28,-0.2 -0.825 33.8 171.7 -99.3 130.6 -4.8 14.6 21.9 21 139 A I E +c 48 0A 15 26,-2.3 28,-2.2 -2,-0.4 2,-0.3 -0.889 7.3 139.1-131.1 164.4 -4.3 13.7 25.6 22 140 A G - 0 0 27 -2,-0.3 31,-0.2 26,-0.2 30,-0.1 -0.908 27.7-160.7 169.9 164.2 -1.6 14.5 28.2 23 141 A T - 0 0 76 29,-1.1 2,-0.3 -2,-0.3 30,-0.1 0.410 55.5 -59.7-124.2 -92.3 -0.8 15.5 31.8 24 142 A S - 0 0 70 28,-0.2 30,-0.7 2,-0.0 -1,-0.2 -0.936 27.2-146.6-155.0 171.8 2.6 17.0 32.6 25 143 A b + 0 0 11 26,-0.4 76,-0.4 -2,-0.3 27,-0.1 -0.544 20.9 171.1-148.1 74.4 6.2 16.1 32.4 26 144 A P - 0 0 57 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 -0.199 55.2 -99.4 -70.5 178.6 8.4 17.6 35.2 27 145 A N S S+ 0 0 126 73,-0.1 2,-0.4 74,-0.0 -2,-0.0 -0.247 90.8 111.3 -97.1 53.4 11.9 16.1 35.1 28 146 A D > - 0 0 59 -2,-0.5 3,-1.1 1,-0.1 4,-0.4 -0.933 50.1-168.9-134.1 117.4 10.9 13.7 37.9 29 147 A S G > S+ 0 0 73 -2,-0.4 3,-0.6 1,-0.3 -1,-0.1 0.741 87.9 70.4 -70.0 -25.6 10.5 9.9 37.7 30 148 A D G 3 S+ 0 0 148 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.780 110.3 32.8 -61.5 -26.4 8.9 9.8 41.2 31 149 A K G < S+ 0 0 156 -3,-1.1 2,-0.8 2,-0.0 -1,-0.2 0.328 87.4 107.1-115.4 3.8 5.9 11.5 39.7 32 150 A Q < - 0 0 20 -3,-0.6 -7,-0.1 -4,-0.4 21,-0.0 -0.780 44.8-176.7 -94.4 108.5 5.5 10.3 36.1 33 151 A K - 0 0 165 -2,-0.8 22,-2.4 1,-0.1 23,-0.2 -0.624 34.1 -95.7 -97.4 154.4 2.5 7.9 35.7 34 152 A P - 0 0 28 0, 0.0 -28,-0.3 0, 0.0 23,-0.2 -0.415 21.9-144.3 -69.6 150.1 1.6 6.1 32.5 35 153 A L S S+ 0 0 2 21,-3.1 -29,-1.6 1,-0.3 -28,-0.7 0.855 85.4 17.9 -78.0 -42.2 -1.2 7.8 30.4 36 154 A I E -ad 7 57A 0 20,-1.2 22,-2.6 -30,-0.2 2,-0.5 -0.990 65.9-156.6-133.7 141.9 -2.7 4.5 29.3 37 155 A I E -ad 8 58A 37 -30,-2.1 -28,-2.8 -2,-0.4 2,-0.4 -0.975 14.8-157.4-119.1 129.4 -2.4 1.0 30.8 38 156 A L E -ad 9 59A 0 20,-3.7 22,-1.4 -2,-0.5 23,-0.7 -0.886 14.9-179.7-112.4 141.8 -3.1 -2.0 28.5 39 157 A K E S-ad 10 61A 73 -30,-1.8 -28,-2.0 -2,-0.4 23,-0.2 -0.805 82.0 -33.7-141.0 93.4 -4.1 -5.5 29.5 40 158 A N S S+ 0 0 75 21,-2.3 -28,-0.3 -2,-0.3 2,-0.2 0.902 117.4 115.3 59.5 42.6 -4.5 -7.8 26.5 41 159 A A - 0 0 3 20,-0.3 24,-1.6 -30,-0.2 2,-0.4 -0.793 60.5-129.1-135.5 177.3 -5.8 -4.8 24.6 42 160 A T E -be 13 65A 25 -30,-2.2 -28,-3.1 -2,-0.2 2,-0.4 -0.986 11.8-167.5-134.4 138.1 -5.2 -2.4 21.7 43 161 A V E +be 14 66A 0 22,-2.0 24,-2.3 -2,-0.4 2,-0.3 -0.977 17.6 178.6-124.3 137.4 -5.1 1.4 21.6 44 162 A K E +be 15 67A 54 -30,-1.8 -28,-2.7 -2,-0.4 -26,-0.4 -0.985 46.7 17.4-145.1 156.0 -5.1 3.3 18.2 45 163 A N E S+ 0 0 45 22,-1.7 -27,-3.0 -2,-0.3 -26,-0.4 0.973 79.3 144.9 49.5 70.2 -5.1 6.7 16.6 46 164 A L E - e 0 69A 1 22,-1.4 24,-2.5 -28,-0.2 2,-0.4 -0.997 36.0-156.4-139.5 139.3 -4.0 8.7 19.6 47 165 A R E -ce 20 70A 111 -28,-2.6 -26,-2.3 -2,-0.4 2,-0.5 -0.905 5.1-156.7-116.8 142.7 -1.8 11.7 20.1 48 166 A I E -ce 21 71A 1 22,-2.3 24,-2.2 -2,-0.4 25,-0.2 -0.992 25.9-116.3-120.1 126.6 0.1 12.6 23.3 49 167 A S > - 0 0 28 -28,-2.2 3,-1.1 -2,-0.5 24,-0.3 -0.097 19.2-115.0 -60.8 159.4 1.0 16.3 23.8 50 168 A A T 3 S+ 0 0 36 1,-0.2 3,-0.4 22,-0.2 50,-0.2 0.838 113.3 39.6 -62.8 -39.8 4.6 17.6 24.1 51 169 A S T 3 S+ 0 0 60 1,-0.2 -26,-0.4 -28,-0.1 -1,-0.2 0.111 116.2 51.4-101.1 23.6 4.4 18.7 27.7 52 170 A G < + 0 0 0 -3,-1.1 -29,-1.1 -28,-0.2 -28,-0.2 0.096 57.1 121.3-148.7 33.6 2.4 15.7 29.0 53 171 A G > + 0 0 3 -3,-0.4 3,-2.8 20,-0.4 -18,-0.3 0.696 38.8 168.8 -71.2 -19.7 4.0 12.4 27.9 54 172 A A T 3 S- 0 0 2 -30,-0.7 22,-1.9 1,-0.3 23,-0.4 -0.141 70.8 -24.8 44.4-120.6 4.4 11.4 31.5 55 173 A D T 3 S- 0 0 19 -22,-2.4 -1,-0.3 1,-0.3 25,-0.1 -0.036 90.0-135.5-110.2 29.8 5.3 7.7 31.6 56 174 A G < - 0 0 0 -3,-2.8 -21,-3.1 -23,-0.2 -20,-1.2 -0.214 48.7 -28.0 62.1-139.7 3.8 6.8 28.2 57 175 A I E -df 36 79A 0 21,-1.9 23,-2.5 -23,-0.2 2,-0.4 -0.969 56.0-151.2-121.4 130.2 1.8 3.6 27.6 58 176 A H E -df 37 80A 24 -22,-2.6 -20,-3.7 -2,-0.4 2,-0.9 -0.860 12.0-160.8-105.3 133.3 2.1 0.4 29.5 59 177 A c E +df 38 81A 0 21,-3.3 23,-2.5 -2,-0.4 24,-0.2 -0.797 26.2 166.4-106.0 83.4 1.4 -3.1 28.3 60 178 A D E + 0 0 53 -22,-1.4 2,-0.3 -2,-0.9 -21,-0.2 0.500 56.7 21.8 -81.4 -2.0 1.1 -4.6 31.8 61 179 A S E S-d 39 0A 55 -23,-0.7 -21,-2.3 24,-0.1 -20,-0.3 -0.956 104.7 -22.7-166.0 142.8 -0.5 -8.0 30.8 62 180 A G S S- 0 0 21 -2,-0.3 22,-2.4 -23,-0.2 23,-1.6 -0.157 102.4 -17.7 59.8-149.7 -0.9 -10.4 27.9 63 181 A N E - g 0 85A 89 21,-0.2 2,-0.3 20,-0.2 23,-0.2 -0.790 66.7-175.0 -96.1 133.1 -0.6 -9.3 24.2 64 182 A c E - g 0 86A 2 21,-3.7 23,-3.3 -2,-0.4 2,-0.4 -0.965 13.5-161.8-130.8 149.6 -0.8 -5.6 23.4 65 183 A T E -eg 42 87A 39 -24,-1.6 -22,-2.0 -2,-0.3 2,-0.5 -0.991 2.5-168.1-132.2 133.1 -0.9 -3.5 20.2 66 184 A I E -eg 43 88A 1 21,-2.9 23,-2.0 -2,-0.4 2,-0.4 -0.910 20.1-175.5-122.4 97.8 -0.2 0.3 20.0 67 185 A E E -eg 44 89A 69 -24,-2.3 -22,-1.7 -2,-0.5 -21,-0.2 -0.855 56.7 -11.7-106.5 133.5 -1.2 1.4 16.5 68 186 A N E S+ 0 0 78 21,-2.2 -22,-1.4 -2,-0.4 2,-0.4 0.954 82.3 158.3 47.2 59.6 -0.8 4.9 15.0 69 187 A V E -e 46 0A 1 21,-0.3 23,-1.6 -3,-0.3 2,-0.5 -0.911 27.3-153.6-112.1 138.2 0.1 6.7 18.2 70 188 A I E -eh 47 92A 37 -24,-2.5 -22,-2.3 -2,-0.4 2,-0.7 -0.973 6.3-163.4-117.4 126.8 2.0 9.9 18.1 71 189 A W E -eh 48 93A 4 21,-2.2 23,-3.0 -2,-0.5 3,-0.4 -0.937 1.8-166.7-107.9 105.5 4.3 11.1 20.8 72 190 A E S S- 0 0 69 -24,-2.2 -22,-0.2 -2,-0.7 2,-0.1 0.747 84.2 -4.0 -63.4 -27.0 5.0 14.9 20.4 73 191 A D S S- 0 0 14 -24,-0.3 -20,-0.4 -25,-0.2 -1,-0.3 -0.585 81.0-129.2-168.8 96.6 7.8 14.8 22.9 74 192 A I - 0 0 1 20,-2.7 22,-0.2 -3,-0.4 4,-0.1 -0.262 23.1-168.2 -51.4 130.7 8.6 11.6 24.7 75 193 A b S S- 0 0 9 2,-0.3 -20,-0.2 -22,-0.1 -1,-0.1 0.864 72.8 -16.9 -86.9 -86.3 8.7 12.3 28.5 76 194 A E S S- 0 0 56 -22,-1.9 30,-0.3 1,-0.4 2,-0.3 0.917 129.0 -35.3 -85.6 -52.1 10.2 9.3 30.4 77 195 A D - 0 0 14 -23,-0.4 -1,-0.4 -24,-0.2 -2,-0.3 -0.941 52.3-121.4-163.8 160.9 9.7 6.7 27.6 78 196 A A S S- 0 0 0 29,-1.6 -21,-1.9 1,-0.3 2,-0.3 0.951 84.5 -5.4 -78.3 -56.2 7.1 6.0 25.0 79 197 A A E -fi 57 108A 0 28,-1.8 30,-2.4 -23,-0.2 2,-0.4 -0.991 60.6-147.1-143.0 151.9 5.7 2.5 25.7 80 198 A T E -fi 58 109A 4 -23,-2.5 -21,-3.3 -2,-0.3 2,-0.9 -0.970 7.6-144.6-127.8 126.1 6.6 -0.3 28.2 81 199 A N E +fi 59 110A 0 28,-3.5 30,-2.4 -2,-0.4 31,-1.7 -0.747 40.2 143.5 -92.5 103.9 6.4 -4.1 27.7 82 200 A N + 0 0 54 -23,-2.5 -20,-0.2 -2,-0.9 -1,-0.2 0.064 63.1 65.1-119.5 17.0 5.4 -5.7 31.0 83 201 A G S S- 0 0 11 -22,-0.2 -20,-0.2 -24,-0.2 3,-0.1 -0.095 100.3 -84.6-116.4-147.0 3.3 -8.3 29.3 84 202 A K S S+ 0 0 118 -22,-2.4 32,-2.4 1,-0.3 2,-0.4 0.851 106.6 8.6 -95.0 -45.8 3.8 -11.3 26.9 85 203 A T E -gj 63 116A 38 -23,-1.6 -21,-3.7 30,-0.2 2,-0.5 -0.990 57.2-172.8-142.8 128.5 3.8 -9.4 23.6 86 204 A M E -gj 64 117A 0 30,-2.4 32,-3.6 -2,-0.4 2,-0.5 -0.978 12.0-166.7-122.0 117.3 3.8 -5.7 22.8 87 205 A T E -gj 65 118A 22 -23,-3.3 -21,-2.9 -2,-0.5 2,-0.7 -0.915 8.4-159.6-109.5 124.0 3.4 -4.7 19.1 88 206 A I E -gj 66 119A 0 30,-3.9 32,-2.8 -2,-0.5 2,-0.7 -0.910 11.5-172.1-101.3 112.9 4.1 -1.2 17.8 89 207 A V E -gj 67 120A 27 -23,-2.0 -21,-2.2 -2,-0.7 32,-0.3 -0.880 51.7 -54.7-111.4 101.3 2.3 -0.7 14.5 90 208 A G S S+ 0 0 12 30,-2.3 -21,-0.3 -2,-0.7 33,-0.2 -0.182 78.7 124.9 66.5-160.3 3.2 2.5 12.8 91 209 A G - 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