==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-AUG-08 3E5Z . COMPND 2 MOLECULE: PUTATIVE GLUCONOLACTONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR A.P.KUZIN,M.ABASHIDZE,J.SEETHARAMAN,D.WANG,L.MAO,M.MAGLAQUI, . 580 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 361 62.2 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 . 234 40.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 2.8 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 . 4 0.7 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 . 38 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 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 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 . 2 2 11 8 13 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 10 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 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 2 A T 0 0 74 0, 0.0 251,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 164.5 17.0 66.5 65.4 2 3 A L E -A 251 0A 50 15,-0.2 2,-0.4 249,-0.2 249,-0.2 -0.752 360.0-176.8-103.1 136.0 17.0 68.5 62.2 3 4 A R E -A 250 0A 132 247,-2.3 247,-2.2 -2,-0.4 2,-0.3 -0.907 18.5-152.8-131.1 102.2 14.4 70.8 60.9 4 5 A A E +A 249 0A 49 -2,-0.4 245,-0.3 245,-0.2 244,-0.1 -0.577 23.3 179.3 -77.5 131.8 15.2 72.2 57.4 5 6 A A S S+ 0 0 55 243,-2.7 244,-0.2 1,-0.3 -1,-0.1 0.627 86.0 24.2 -93.8 -25.6 13.9 75.6 56.2 6 7 A R S > S- 0 0 109 242,-2.2 3,-2.0 1,-0.1 -1,-0.3 -0.994 84.4-119.5-138.7 142.0 15.7 75.0 52.9 7 8 A P G > S+ 0 0 107 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.798 107.3 65.2 -46.8 -42.3 16.8 71.7 51.2 8 9 A E G 3 S+ 0 0 93 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.630 83.6 80.1 -63.9 -13.2 20.6 72.4 51.2 9 10 A F G X S+ 0 0 0 -3,-2.0 3,-1.6 239,-0.3 -1,-0.3 0.878 85.7 57.3 -57.1 -41.8 20.4 72.3 55.0 10 11 A L G X S+ 0 0 98 -3,-1.6 3,-1.8 -4,-0.3 -1,-0.2 0.803 91.4 69.8 -65.7 -29.0 20.5 68.5 55.0 11 12 A D G 3 S+ 0 0 122 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.729 88.4 68.9 -54.2 -21.8 23.8 68.6 53.0 12 13 A L G < S+ 0 0 19 -3,-1.6 272,-3.4 -4,-0.3 273,-0.4 0.640 100.0 49.0 -77.8 -13.6 25.4 69.9 56.3 13 14 A F S < S- 0 0 8 -3,-1.8 270,-0.2 270,-0.3 3,-0.1 -0.956 87.0-107.1-129.7 143.5 24.9 66.6 58.1 14 15 A P > - 0 0 45 0, 0.0 3,-1.7 0, 0.0 268,-0.1 -0.229 59.0 -82.0 -56.2 155.5 25.7 62.9 57.5 15 16 A A T 3 S+ 0 0 109 1,-0.3 3,-0.1 -4,-0.1 -4,-0.0 -0.394 119.2 18.4 -64.9 141.5 22.5 60.8 56.8 16 17 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.626 87.6 159.7 70.9 14.6 20.8 59.8 60.0 17 18 A A < + 0 0 20 -3,-1.7 2,-0.4 -4,-0.1 -15,-0.2 -0.487 13.8 177.9 -68.7 134.9 22.6 62.5 61.9 18 19 A E - 0 0 89 -2,-0.2 2,-0.3 -17,-0.1 264,-0.3 -1.000 34.9-114.3-142.6 139.7 20.9 63.4 65.2 19 20 A A - 0 0 5 -2,-0.4 2,-0.3 262,-0.1 262,-0.2 -0.593 44.5-179.9 -65.9 130.5 21.5 65.7 68.1 20 21 A R E -E 280 0B 143 260,-2.4 260,-2.0 -2,-0.3 2,-0.3 -0.983 31.0-107.2-136.7 147.3 22.1 63.4 71.2 21 22 A R E -E 279 0B 127 -2,-0.3 258,-0.3 258,-0.2 3,-0.1 -0.567 26.4-176.9 -72.8 133.0 22.8 64.2 74.8 22 23 A L E - 0 0 45 256,-3.5 2,-0.3 1,-0.4 257,-0.2 0.751 66.8 -8.2 -93.2 -33.5 26.4 63.4 75.9 23 24 A A E -E 278 0B 12 255,-1.6 255,-2.4 3,-0.0 -1,-0.4 -0.981 58.1-171.6-164.5 151.4 26.1 64.2 79.6 24 25 A D + 0 0 89 -2,-0.3 253,-0.2 253,-0.2 3,-0.1 -0.683 50.2 87.2-136.9-168.0 23.7 65.7 82.2 25 26 A G + 0 0 74 1,-0.3 252,-0.2 251,-0.3 2,-0.1 0.495 65.8 124.7 87.6 4.1 23.6 66.7 85.8 26 27 A F - 0 0 12 250,-2.0 -1,-0.3 1,-0.1 19,-0.0 -0.381 54.5-146.0 -87.3 170.3 24.9 70.3 85.1 27 28 A T S S- 0 0 40 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 0.840 83.7 -9.1 -99.8 -55.6 23.2 73.6 86.1 28 29 A W S S- 0 0 72 248,-0.1 18,-1.9 2,-0.0 19,-0.4 -0.673 70.0-156.7-149.0 89.6 24.1 76.0 83.2 29 30 A T E +H 45 0C 0 246,-2.9 246,-0.4 16,-0.2 2,-0.3 -0.300 28.1 146.7 -67.4 151.1 26.6 74.7 80.7 30 31 A E E +H 44 0C 4 14,-2.0 14,-2.5 41,-0.1 229,-0.1 -0.956 34.0 43.4-167.1 169.7 28.6 77.3 78.6 31 32 A G E - 0 0 0 -2,-0.3 2,-0.3 12,-0.2 -1,-0.1 0.765 59.7-177.5 53.6 50.3 31.8 78.3 76.9 32 33 A P E + 0 0 0 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.593 8.0 168.8 -84.1 139.5 32.8 75.2 75.0 33 34 A V E -H 42 0C 22 9,-2.2 9,-2.8 -2,-0.3 2,-0.4 -0.981 30.3-129.1-143.4 139.6 36.1 74.9 73.0 34 35 A Y E -H 41 0C 31 228,-0.5 7,-0.3 -2,-0.3 228,-0.1 -0.699 17.0-160.4 -86.8 133.4 37.8 71.9 71.4 35 36 A V E >>> -H 40 0C 5 5,-2.9 5,-1.4 -2,-0.4 3,-1.3 -0.925 2.5-164.7-115.7 102.5 41.5 71.6 72.3 36 37 A P G >45S+ 0 0 78 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.839 86.5 59.2 -57.1 -35.3 43.2 69.3 69.8 37 38 A A G 345S+ 0 0 98 1,-0.3 42,-0.0 42,-0.2 -2,-0.0 0.724 115.3 36.2 -66.2 -23.1 46.3 68.8 71.9 38 39 A R G <45S- 0 0 49 -3,-1.3 -1,-0.3 2,-0.2 3,-0.1 0.376 102.1-133.1-106.7 -3.7 44.1 67.3 74.7 39 40 A S T <<5S+ 0 0 60 -4,-0.7 17,-2.2 -3,-0.7 18,-0.3 0.935 72.2 102.3 47.4 50.9 41.7 65.6 72.3 40 41 A A E > -HI 29 50C 3 5,-3.1 5,-1.4 -2,-0.3 3,-1.3 -0.936 23.1-170.2-111.9 99.2 29.2 75.0 84.2 46 47 A V G > 5S+ 0 0 0 -18,-1.9 3,-0.7 -2,-0.5 -1,-0.1 0.853 80.1 49.1 -61.8 -38.6 28.9 78.7 85.1 47 48 A R G 3 5S+ 0 0 105 -19,-0.4 -1,-0.3 1,-0.2 95,-0.1 0.391 111.9 48.4 -86.7 1.9 26.4 78.2 87.9 48 49 A Q G < 5S- 0 0 101 -3,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.307 104.4-122.6-118.5 5.0 28.5 75.4 89.6 49 50 A N T < 5S+ 0 0 27 -3,-0.7 18,-1.2 -4,-0.5 19,-0.4 0.915 75.7 99.5 57.4 45.0 31.9 77.2 89.6 50 51 A R E < -I 45 0C 70 -5,-1.4 -5,-3.1 16,-0.2 2,-0.3 -0.993 58.7-141.8-155.4 157.7 33.6 74.4 87.6 51 52 A T E -IJ 44 64C 0 13,-1.8 12,-2.6 -2,-0.3 13,-1.1 -0.851 17.7-156.7-119.7 160.4 34.7 73.3 84.2 52 53 A W E -IJ 43 62C 35 -9,-3.4 -9,-2.1 -2,-0.3 2,-0.4 -0.874 8.5-137.8-132.1 160.7 34.6 69.9 82.6 53 54 A A E -IJ 42 61C 4 8,-2.9 8,-3.1 -2,-0.3 2,-0.5 -0.995 6.4-164.5-122.1 134.4 36.3 68.0 79.8 54 55 A W E -IJ 41 60C 33 -13,-2.6 -13,-2.4 -2,-0.4 6,-0.2 -0.952 20.9-150.1-113.5 109.1 34.7 65.7 77.2 55 56 A S E > -I 40 0C 22 4,-2.5 3,-1.7 -2,-0.5 -15,-0.3 -0.261 23.9-115.4 -80.1 161.0 37.3 63.5 75.5 56 57 A D T 3 S+ 0 0 46 -17,-2.2 -16,-0.1 1,-0.3 -1,-0.1 0.804 116.3 62.7 -66.7 -26.4 37.1 62.2 72.0 57 58 A D T 3 S- 0 0 121 -18,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.306 125.3-101.8 -81.1 10.8 36.9 58.7 73.4 58 59 A G S < S+ 0 0 39 -3,-1.7 2,-0.4 1,-0.2 -2,-0.1 0.806 73.5 138.7 82.8 34.5 33.6 59.7 75.0 59 60 A Q - 0 0 121 -4,-0.1 -4,-2.5 2,-0.0 2,-0.5 -0.920 42.7-145.6-114.2 136.2 34.6 60.4 78.7 60 61 A L E +J 54 0C 64 -2,-0.4 -6,-0.2 -6,-0.2 -8,-0.0 -0.867 27.2 173.6 -92.4 125.0 33.4 63.2 81.0 61 62 A S E -J 53 0C 49 -8,-3.1 -8,-2.9 -2,-0.5 2,-0.1 -0.991 36.3-106.3-132.3 143.4 36.1 64.3 83.4 62 63 A P E +J 52 0C 87 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.422 34.4 179.7 -60.8 138.5 36.3 67.2 85.9 63 64 A E E + 0 0 55 -12,-2.6 2,-0.4 1,-0.3 -11,-0.2 0.812 58.2 3.6-104.1 -62.3 38.6 69.9 84.7 64 65 A X E -J 51 0C 29 -13,-1.1 -13,-1.8 34,-0.0 3,-0.3 -0.989 58.5-154.3-137.3 133.1 38.7 72.8 87.2 65 66 A H S S+ 0 0 141 1,-0.5 -15,-0.1 -2,-0.4 2,-0.1 -0.861 90.4 16.6-153.3 119.7 37.2 73.3 90.7 66 67 A P S S+ 0 0 57 0, 0.0 -1,-0.5 0, 0.0 -16,-0.2 0.651 74.3 176.4 -76.1 157.2 36.8 76.0 91.6 67 68 A S - 0 0 0 -18,-1.2 -17,-0.2 -3,-0.3 20,-0.1 0.387 48.9-117.6 -98.9 -0.1 37.0 77.6 88.2 68 69 A H S S- 0 0 64 -19,-0.4 19,-2.4 1,-0.2 20,-0.7 0.896 71.8 -60.0 56.5 43.3 36.2 81.0 89.6 69 70 A H S S- 0 0 17 17,-0.2 17,-2.4 18,-0.2 -1,-0.2 0.915 75.5-169.1 50.0 54.8 33.1 80.9 87.4 70 71 A Q E +K 85 0D 0 15,-0.3 15,-0.2 16,-0.1 -20,-0.2 -0.444 10.6 172.9 -59.6 146.8 34.9 80.6 84.1 71 72 A N E + 0 0 2 13,-2.8 -27,-0.3 1,-0.4 -1,-0.1 0.403 47.5 27.8-123.5 -97.5 32.5 81.1 81.2 72 73 A G E - 0 0 0 45,-1.7 12,-2.6 44,-0.2 -1,-0.4 -0.282 63.5-168.0 -73.0 154.2 33.6 81.4 77.6 73 74 A H E +K 83 0D 2 10,-0.2 2,-0.3 -41,-0.2 46,-0.2 -0.975 14.9 156.2-137.4 155.7 36.7 79.7 76.1 74 75 A C E -K 82 0D 12 8,-1.8 8,-3.2 -2,-0.3 2,-0.4 -0.919 37.6-105.5-154.0 178.7 38.9 79.8 73.0 75 76 A L E -K 81 0D 39 -2,-0.3 6,-0.2 6,-0.2 46,-0.1 -0.911 27.5-135.8-106.7 145.3 42.4 79.0 72.0 76 77 A N > - 0 0 13 4,-1.8 3,-2.3 -2,-0.4 45,-0.1 -0.262 44.7 -81.0 -79.6 179.8 45.0 81.7 71.2 77 78 A K T 3 S+ 0 0 160 48,-0.3 49,-0.0 1,-0.3 -1,-0.0 0.821 133.0 50.5 -54.9 -33.6 47.4 81.5 68.2 78 79 A Q T 3 S- 0 0 130 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.443 120.6-107.4 -86.4 0.6 49.7 79.1 70.1 79 80 A G < + 0 0 35 -3,-2.3 2,-0.3 1,-0.3 -42,-0.2 0.713 67.6 151.7 77.3 21.2 46.8 76.8 71.0 80 81 A H - 0 0 22 1,-0.1 -4,-1.8 16,-0.0 2,-0.3 -0.623 53.6-105.2 -77.6 145.6 46.8 77.9 74.7 81 82 A L E -KL 75 94D 2 13,-1.8 13,-3.0 -2,-0.3 2,-0.5 -0.569 36.2-162.4 -74.3 129.3 43.5 77.6 76.5 82 83 A I E -KL 74 93D 0 -8,-3.2 -8,-1.8 -2,-0.3 2,-0.4 -0.953 7.4-169.9-115.2 129.5 41.9 81.1 77.0 83 84 A A E -KL 73 92D 0 9,-2.8 9,-2.5 -2,-0.5 2,-0.5 -0.969 22.1-140.2-121.6 141.2 39.2 81.6 79.5 84 85 A C E - L 0 91D 0 -12,-2.6 -13,-2.8 -2,-0.4 2,-0.6 -0.844 27.7-153.0 -83.8 128.2 36.8 84.4 80.4 85 86 A S E >> -KL 70 90D 0 5,-2.7 5,-1.1 -2,-0.5 4,-0.7 -0.917 22.8-178.4-114.7 115.3 36.5 84.6 84.2 86 87 A H T 45S+ 0 0 0 -17,-2.4 57,-0.3 -2,-0.6 -17,-0.2 0.900 89.2 46.8 -66.5 -43.6 33.3 85.9 86.0 87 88 A G T 45S+ 0 0 12 -19,-2.4 -18,-0.2 1,-0.2 -1,-0.1 0.866 122.1 33.0 -72.8 -40.8 34.8 85.4 89.4 88 89 A L T 45S- 0 0 65 -20,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.464 99.6-135.5 -95.0 -4.7 38.2 87.0 88.8 89 90 A R T <5 + 0 0 24 -4,-0.7 24,-0.6 1,-0.2 2,-0.3 0.876 67.1 98.5 55.8 46.3 36.7 89.5 86.3 90 91 A R E S- 0 0 127 4,-0.2 3,-2.5 -16,-0.1 -1,-0.2 -0.885 92.8 -80.2-134.6 156.9 49.3 73.2 79.7 97 98 A P T 3 S+ 0 0 81 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.354 120.7 9.6 -57.3 134.4 46.8 70.8 81.3 98 99 A G T 3 S+ 0 0 77 1,-0.2 2,-0.1 -35,-0.1 -3,-0.0 0.468 102.8 138.8 73.3 1.6 46.9 71.2 85.1 99 100 A G < - 0 0 28 -3,-2.5 -1,-0.2 1,-0.1 0, 0.0 -0.328 60.9 -87.8 -79.9 161.2 49.0 74.4 84.6 100 101 A E - 0 0 172 -3,-0.1 -5,-0.5 1,-0.1 2,-0.5 -0.243 41.8-115.9 -62.8 151.6 48.7 77.7 86.5 101 102 A W E -M 94 0D 45 -7,-0.1 2,-0.5 -6,-0.1 -7,-0.2 -0.808 26.5-156.0 -94.9 129.5 46.3 80.3 85.1 102 103 A E E -M 93 0D 82 -9,-2.8 -9,-2.7 -2,-0.5 2,-0.2 -0.905 15.3-126.9-109.7 128.8 47.8 83.6 84.0 103 104 A S E +M 92 0D 31 -2,-0.5 -11,-0.3 -11,-0.2 3,-0.1 -0.519 30.8 169.9 -66.4 134.1 45.9 86.9 83.8 104 105 A I E S+ 0 0 38 -13,-3.4 2,-0.3 1,-0.3 -12,-0.2 0.581 74.5 17.4-120.6 -22.0 46.2 88.4 80.4 105 106 A A E +M 91 0D 7 -14,-1.8 -14,-2.7 1,-0.1 -1,-0.3 -0.849 64.2 143.9-145.6 115.0 43.6 91.2 80.8 106 107 A D + 0 0 85 1,-0.3 7,-0.6 -2,-0.3 2,-0.3 0.346 65.4 21.7-129.8 6.8 42.3 92.3 84.2 107 108 A S E -N 112 0E 56 5,-0.2 2,-0.4 3,-0.0 -1,-0.3 -0.972 53.4-146.4-166.5 156.9 41.7 96.1 84.0 108 109 A F E > S-N 111 0E 15 3,-2.4 3,-0.7 -2,-0.3 56,-0.0 -0.947 80.9 -25.8-133.6 111.5 41.1 98.9 81.6 109 110 A E T 3 S- 0 0 135 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.892 128.4 -42.9 55.7 47.5 42.5 102.4 82.3 110 111 A G T 3 S+ 0 0 74 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.619 119.1 106.8 78.3 15.4 42.6 101.9 86.1 111 112 A K E < S-N 108 0E 67 -3,-0.7 -3,-2.4 0, 0.0 -1,-0.2 -0.948 71.7-111.9-125.7 146.5 39.2 100.3 86.3 112 113 A K E -N 107 0E 111 -2,-0.4 36,-0.3 -5,-0.2 37,-0.3 -0.371 36.3-113.1 -67.1 152.0 38.2 96.6 86.9 113 114 A L - 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