==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JUL-08 3DR2 . COMPND 2 MOLECULE: EXPORTED GLUCONOLACTONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR C.-N.CHEN,K.-H.CHIN,A.H.-J.WANG,S.H.CHOU . 596 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 243 40.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 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 . 61 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 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 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 PARALLEL BRIDGES PER LADDER . 0 8 8 11 9 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 6 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 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 4 A H 0 0 162 0, 0.0 77,-0.1 0, 0.0 112,-0.0 0.000 360.0 360.0 360.0 22.3 22.4 60.9 32.7 2 5 A a - 0 0 31 74,-0.1 75,-2.2 1,-0.1 2,-0.6 -0.287 360.0-109.3 -74.5 159.8 23.6 63.7 30.4 3 6 A R E -A 76 0A 146 73,-0.2 73,-0.2 455,-0.2 -1,-0.1 -0.794 31.1-179.6 -88.5 120.5 21.8 67.0 29.8 4 7 A V E S+ 0 0 7 71,-2.0 72,-0.2 -2,-0.6 -1,-0.1 0.506 72.5 30.0 -98.9 -7.4 20.3 67.1 26.3 5 8 A R E S-A 75 0A 44 70,-1.4 70,-1.9 453,-0.1 -1,-0.3 -0.931 80.2-131.6-150.3 124.4 18.7 70.6 26.6 6 9 A P - 0 0 82 0, 0.0 -2,-0.0 0, 0.0 70,-0.0 -0.314 42.6 -83.0 -71.9 162.0 20.1 73.5 28.7 7 10 A A S S+ 0 0 51 67,-0.1 66,-0.3 68,-0.0 64,-0.0 -0.266 75.9 120.7 -58.7 152.5 17.7 75.4 30.9 8 11 A G - 0 0 26 64,-2.4 -3,-0.0 -3,-0.1 0, 0.0 -0.737 61.6 -64.6 157.6 154.2 15.9 78.1 29.0 9 12 A P - 0 0 115 0, 0.0 63,-0.1 0, 0.0 2,-0.0 -0.173 51.8-109.8 -60.9 149.6 12.5 79.4 27.9 10 13 A A - 0 0 39 1,-0.0 27,-0.2 25,-0.0 25,-0.0 -0.323 27.8-129.9 -74.0 162.4 10.2 77.4 25.7 11 14 A V E -E 36 0B 90 25,-1.5 25,-3.0 -2,-0.0 -1,-0.0 -0.946 27.0-103.0-117.6 135.2 9.5 78.6 22.1 12 15 A P E -E 35 0B 94 0, 0.0 23,-0.3 0, 0.0 2,-0.2 -0.279 41.3-115.1 -56.3 140.5 6.0 78.9 20.7 13 16 A A - 0 0 15 21,-2.6 2,-1.4 1,-0.1 21,-0.1 -0.485 19.6-119.1 -78.0 147.9 5.1 76.0 18.4 14 17 A D S S+ 0 0 154 -2,-0.2 2,-0.3 21,-0.0 -1,-0.1 -0.669 74.2 97.0 -90.1 86.1 4.5 76.7 14.7 15 18 A C S S- 0 0 38 -2,-1.4 19,-0.1 19,-0.1 -2,-0.0 -0.966 78.4 -75.9-159.7 168.6 0.9 75.6 14.3 16 19 A D - 0 0 124 -2,-0.3 18,-0.1 1,-0.1 3,-0.1 -0.384 52.6-106.0 -72.6 150.8 -2.6 76.9 14.2 17 20 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 -0.249 56.2 -64.5 -70.7 165.7 -4.3 77.9 17.5 18 21 A P - 0 0 31 0, 0.0 2,-0.8 0, 0.0 250,-0.2 -0.165 39.2-140.4 -54.7 141.0 -7.0 75.7 19.1 19 22 A R E +I 267 0C 179 248,-2.8 248,-2.5 -3,-0.1 2,-0.6 -0.887 30.7 178.9-104.4 98.8 -10.3 75.2 17.2 20 23 A I E +I 266 0C 49 -2,-0.8 246,-0.2 246,-0.2 245,-0.0 -0.907 25.0 162.3-114.2 118.6 -12.9 75.3 20.0 21 24 A T + 0 0 110 244,-1.0 2,-0.2 -2,-0.6 245,-0.2 0.822 60.7 82.6 -95.1 -38.7 -16.7 75.0 19.4 22 25 A H > - 0 0 63 243,-2.1 4,-1.6 1,-0.1 5,-0.1 -0.446 69.2-147.6 -70.0 135.9 -17.6 74.1 23.0 23 26 A A H > S+ 0 0 79 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.877 97.8 54.2 -70.6 -38.6 -18.0 77.1 25.4 24 27 A A H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.875 111.0 45.0 -63.8 -39.5 -16.8 75.1 28.4 25 28 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.843 108.2 57.3 -74.0 -32.7 -13.6 74.1 26.6 26 29 A A H X S+ 0 0 42 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.865 108.6 47.9 -64.3 -34.7 -13.0 77.6 25.4 27 30 A A H < S+ 0 0 75 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.905 109.4 52.4 -71.3 -42.6 -13.1 78.8 29.0 28 31 A R H < S+ 0 0 85 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.894 119.3 34.9 -59.5 -42.7 -10.7 76.0 30.1 29 32 A L H >< S+ 0 0 1 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.816 80.0 173.7 -84.6 -34.4 -8.1 77.0 27.4 30 33 A G T 3< S- 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.1 -0.353 73.7 -28.0 59.0-138.6 -8.6 80.8 27.2 31 34 A D T 3 S+ 0 0 143 -4,-0.1 -1,-0.2 2,-0.0 -4,-0.1 0.066 92.2 152.7 -97.4 25.1 -5.9 82.2 24.9 32 35 A A < - 0 0 11 -3,-2.0 2,-0.4 265,-0.1 267,-0.1 -0.273 26.1-162.4 -58.3 136.2 -3.4 79.4 25.6 33 36 A R - 0 0 125 265,-0.2 2,-0.1 -16,-0.1 -2,-0.0 -0.940 24.8-102.2-122.2 144.4 -1.0 78.8 22.7 34 37 A L - 0 0 11 -2,-0.4 -21,-2.6 263,-0.1 2,-0.3 -0.390 35.6-159.9 -69.4 140.5 1.1 75.6 22.3 35 38 A L E -EF 12 296B 31 261,-2.7 261,-2.3 -23,-0.3 2,-0.6 -0.833 15.7-128.2-118.7 156.9 4.8 75.7 23.2 36 39 A T E +EF 11 295B 24 -25,-3.0 -25,-1.5 -2,-0.3 259,-0.2 -0.927 25.3 172.5-106.5 121.2 7.8 73.5 22.2 37 40 A L E S+ 0 0 4 257,-3.0 2,-0.3 -2,-0.6 258,-0.2 0.682 72.0 3.3 -98.7 -24.2 9.8 72.1 25.1 38 41 A Y E + F 0 294B 8 256,-1.2 256,-1.9 1,-0.0 -1,-0.4 -0.962 49.5 171.9-159.9 143.3 12.1 69.8 23.2 39 42 A D + 0 0 87 -2,-0.3 254,-0.2 254,-0.2 -1,-0.0 0.136 60.8 87.0-143.8 24.7 12.5 69.0 19.5 40 43 A Q + 0 0 61 252,-0.1 414,-0.2 413,-0.0 253,-0.1 0.241 64.9 92.5-112.8 13.5 15.6 66.8 19.4 41 44 A A - 0 0 8 251,-2.1 413,-0.1 1,-0.1 19,-0.1 -0.195 64.1-140.0 -91.0-171.3 14.2 63.3 19.9 42 45 A T S S+ 0 0 40 249,-0.2 2,-0.3 250,-0.1 251,-0.2 0.692 87.6 9.2-116.6 -47.6 13.1 60.8 17.2 43 46 A W S S- 0 0 94 249,-0.1 18,-2.3 247,-0.1 19,-0.3 -0.700 74.4-162.2-139.8 85.2 9.9 59.2 18.4 44 47 A S E +B 60 0A 0 247,-2.7 247,-0.4 -2,-0.3 2,-0.3 -0.451 24.7 148.9 -70.5 137.1 8.5 60.8 21.6 45 48 A E E +B 59 0A 2 14,-2.4 14,-3.3 -2,-0.2 231,-0.1 -0.941 35.1 37.2-157.7 172.8 6.0 58.8 23.6 46 49 A G E - 0 0 1 -2,-0.3 2,-0.2 12,-0.2 -1,-0.1 0.806 58.8-166.4 44.7 56.8 4.6 58.0 27.0 47 50 A P E + 0 0 7 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.474 10.9 174.6 -72.6 137.0 4.6 61.3 28.9 48 51 A A E -B 57 0A 8 9,-2.8 9,-2.9 -2,-0.2 2,-0.5 -0.980 29.4-127.6-146.4 129.4 4.0 61.0 32.7 49 52 A W E -B 56 0A 23 230,-0.4 2,-0.8 -2,-0.3 7,-0.2 -0.657 17.8-159.4 -80.6 126.5 4.1 63.8 35.3 50 53 A W E >>> -B 55 0A 35 5,-2.8 5,-1.7 -2,-0.5 3,-1.1 -0.840 8.0-174.9-109.4 91.8 6.4 62.9 38.2 51 54 A E G >45S+ 0 0 64 -2,-0.8 3,-1.4 1,-0.2 -1,-0.2 0.890 78.9 62.0 -53.1 -48.4 5.3 65.0 41.2 52 55 A A G 345S+ 0 0 68 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.785 120.7 25.7 -51.8 -30.2 8.2 63.9 43.5 53 56 A Q G <45S- 0 0 100 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.287 100.7-128.2-117.2 8.6 10.7 65.4 41.0 54 57 A R T <<5 + 0 0 106 -3,-1.4 17,-0.7 -4,-0.6 2,-0.4 0.886 66.9 134.3 40.3 50.2 8.4 68.0 39.4 55 58 A T E < -BC 50 70A 1 -5,-1.7 -5,-2.8 15,-0.1 2,-0.8 -0.968 60.8-133.0-130.5 141.2 9.5 66.5 36.1 56 59 A L E -BC 49 69A 0 13,-2.1 13,-2.8 -2,-0.4 2,-0.4 -0.859 30.0-158.9 -93.6 113.2 7.7 65.5 32.9 57 60 A V E +BC 48 68A 0 -9,-2.9 -9,-2.8 -2,-0.8 2,-0.3 -0.776 22.2 154.1 -94.1 133.4 9.0 62.0 32.1 58 61 A W E - C 0 67A 0 9,-2.2 9,-3.0 -2,-0.4 2,-0.3 -0.980 33.8-112.5-154.0 163.9 8.7 60.7 28.5 59 62 A S E -BC 45 66A 0 -14,-3.3 -14,-2.4 -2,-0.3 2,-0.8 -0.768 3.4-154.4-105.5 147.0 10.3 58.3 26.1 60 63 A D E >> -BC 44 65A 5 5,-3.1 5,-1.6 -2,-0.3 4,-0.8 -0.893 26.6-171.9-108.8 91.1 12.3 58.7 22.9 61 64 A L T >45S+ 0 0 0 -18,-2.3 3,-0.7 -2,-0.8 -1,-0.2 0.920 79.6 37.9 -51.8 -54.1 11.3 55.2 21.8 62 65 A V T 345S+ 0 0 4 -19,-0.3 -1,-0.2 1,-0.2 280,-0.1 0.817 116.5 51.9 -71.4 -31.1 13.5 55.0 18.8 63 66 A G T 345S- 0 0 5 2,-0.1 18,-0.3 -20,-0.1 -1,-0.2 0.501 107.0-129.3 -82.9 -5.1 16.4 56.9 20.5 64 67 A R T <<5 + 0 0 5 -4,-0.8 18,-2.1 -3,-0.7 17,-0.6 0.919 64.5 115.5 56.4 53.5 16.2 54.4 23.4 65 68 A R E < -CD 60 80A 6 -5,-1.6 -5,-3.1 16,-0.2 2,-0.5 -0.977 58.3-142.4-145.6 154.9 16.0 56.9 26.2 66 69 A V E -CD 59 79A 0 13,-2.5 12,-2.4 -2,-0.3 13,-1.9 -0.996 33.4-160.4-117.9 117.8 13.6 58.0 28.9 67 70 A L E -CD 58 77A 1 -9,-3.0 -9,-2.2 -2,-0.5 2,-0.4 -0.622 10.7-147.3-101.7 160.7 13.9 61.8 29.2 68 71 A G E -CD 57 76A 0 8,-2.5 8,-2.3 -11,-0.2 2,-0.6 -0.973 4.1-152.7-133.5 120.0 13.0 64.2 32.0 69 72 A W E -CD 56 75A 12 -13,-2.8 -13,-2.1 -2,-0.4 2,-0.3 -0.808 14.3-155.2 -91.9 122.7 11.8 67.8 31.5 70 73 A R E > -C 55 0A 59 4,-3.7 3,-2.4 -2,-0.6 -15,-0.1 -0.669 28.0-111.8 -94.0 152.4 12.6 70.1 34.4 71 74 A E T 3 S+ 0 0 81 -17,-0.7 -1,-0.1 1,-0.3 -16,-0.1 0.646 115.3 61.8 -62.2 -13.5 10.5 73.2 35.1 72 75 A D T 3 S- 0 0 91 2,-0.1 -64,-2.4 -63,-0.1 -1,-0.3 0.368 126.0 -98.8 -91.7 6.4 13.4 75.5 34.2 73 76 A G S < S+ 0 0 5 -3,-2.4 -2,-0.1 1,-0.3 2,-0.0 0.263 79.2 138.8 98.8 -12.3 13.4 74.0 30.7 74 77 A T - 0 0 14 -5,-0.1 -4,-3.7 -70,-0.0 2,-0.4 -0.353 36.8-158.4 -66.4 144.8 16.3 71.6 31.3 75 78 A V E -AD 5 69A 0 -70,-1.9 -71,-2.0 -6,-0.2 -70,-1.4 -0.995 12.6-176.2-128.0 122.6 15.9 68.1 29.8 76 79 A D E -AD 3 68A 33 -8,-2.3 -8,-2.5 -2,-0.4 2,-0.7 -0.826 32.7-110.9-116.4 156.0 18.0 65.3 31.3 77 80 A V E + D 0 67A 2 -75,-2.2 -10,-0.2 -2,-0.3 3,-0.2 -0.796 33.6 177.0 -86.9 115.8 18.4 61.7 30.3 78 81 A L E S+ 0 0 23 -12,-2.4 2,-0.4 -2,-0.7 -11,-0.2 0.846 74.2 17.1 -86.0 -40.1 16.8 59.7 33.1 79 82 A L E S- D 0 66A 17 -13,-1.9 -13,-2.5 35,-0.0 -1,-0.3 -0.995 78.4-160.8-135.6 127.3 17.3 56.2 31.6 80 83 A D E + D 0 65A 72 -2,-0.4 -15,-0.2 -15,-0.2 -16,-0.1 -0.778 64.5 11.1-113.5 155.4 19.8 55.6 28.7 81 84 A A S S- 0 0 34 -17,-0.6 -16,-0.2 -18,-0.3 -1,-0.2 0.895 86.3-173.6 48.5 50.0 20.2 52.9 26.1 82 85 A T - 0 0 13 -18,-2.1 2,-1.5 -3,-0.3 -1,-0.1 -0.157 39.7-107.8 -71.6 163.8 16.8 51.4 27.0 83 86 A A S S- 0 0 23 1,-0.1 19,-2.6 298,-0.0 20,-0.7 -0.429 83.0 -68.6 -88.0 57.7 15.2 48.2 25.7 84 87 A F - 0 0 6 -2,-1.5 17,-2.6 17,-0.2 2,-0.2 0.936 68.2-160.6 54.9 57.2 12.9 50.4 23.7 85 88 A T E +M 100 0D 2 15,-0.3 15,-0.3 -25,-0.2 -20,-0.2 -0.468 19.4 166.1 -68.2 134.8 10.9 51.9 26.5 86 89 A N E + 0 0 2 13,-3.4 -27,-0.2 1,-0.3 -41,-0.1 0.535 50.6 36.1-114.3 -97.9 7.5 53.2 25.4 87 90 A G E - 0 0 0 44,-1.7 12,-2.4 43,-0.2 -1,-0.3 -0.253 62.6-168.3 -64.9 148.2 4.8 54.1 27.9 88 91 A N E +M 98 0D 6 10,-0.2 2,-0.3 45,-0.2 45,-0.2 -0.953 10.5 166.4-132.5 153.4 5.7 55.6 31.3 89 92 A A E -M 97 0D 9 8,-1.8 8,-2.6 -2,-0.3 2,-0.4 -0.941 29.4-122.6-156.8 168.8 3.5 56.1 34.4 90 93 A V E -M 96 0D 29 -2,-0.3 6,-0.2 6,-0.2 45,-0.2 -0.987 23.5-144.8-125.2 126.7 4.0 56.9 38.1 91 94 A D > - 0 0 10 4,-2.5 3,-1.9 -2,-0.4 44,-0.0 -0.158 36.7 -89.9 -82.4 179.7 2.8 54.7 40.9 92 95 A A T 3 S+ 0 0 71 1,-0.3 -1,-0.1 44,-0.2 45,-0.0 0.796 127.5 54.8 -59.6 -29.4 1.4 55.6 44.3 93 96 A Q T 3 S- 0 0 122 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.238 119.5-109.9 -89.3 14.5 4.9 55.5 45.8 94 97 A Q S < S+ 0 0 68 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.807 72.7 141.1 60.4 33.9 6.2 58.0 43.1 95 98 A R - 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