==== 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 HYDROLASE 05-DEC-06 2O5F . COMPND 2 MOLECULE: PUTATIVE NUDIX HYDROLASE DR_0079; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR M.A.KENNEDY,G.W.BUCHKO,S.NI,H.ROBINSON . 317 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 21.5 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 . 5 1.6 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 . 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 . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 17.7 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 0 0 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 6 0 0 2 3 1 2 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 2 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 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 7 A E 0 0 170 0, 0.0 17,-3.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -6.4 -26.6 23.0 25.2 2 8 A R E -A 17 0A 147 15,-0.2 60,-2.8 16,-0.1 2,-0.3 -0.878 360.0-165.8-106.9 136.7 -25.9 26.1 23.2 3 9 A L E -AB 16 61A 7 13,-3.5 13,-2.6 -2,-0.4 2,-0.3 -0.860 22.4-113.5-120.5 154.0 -24.1 26.0 19.9 4 10 A D E -A 15 0A 14 56,-0.6 25,-0.4 -2,-0.3 2,-0.4 -0.636 26.6-135.9 -83.8 141.5 -22.5 28.7 17.7 5 11 A L E -A 14 0A 42 9,-3.4 8,-2.7 -2,-0.3 9,-0.9 -0.830 26.0-168.8 -96.4 136.9 -24.1 29.4 14.3 6 12 A V E -A 12 0A 7 21,-2.3 6,-0.2 -2,-0.4 2,-0.1 -0.919 12.6-136.7-129.1 154.5 -21.7 29.8 11.4 7 13 A N > - 0 0 37 4,-2.1 3,-2.2 -2,-0.3 254,-0.1 -0.217 49.1 -75.4 -93.5-172.0 -21.8 30.9 7.8 8 14 A E T 3 S+ 0 0 51 1,-0.3 88,-0.1 252,-0.2 252,-0.1 0.707 133.3 52.6 -58.2 -23.7 -20.3 29.4 4.6 9 15 A R T 3 S- 0 0 109 2,-0.1 -1,-0.3 85,-0.0 3,-0.1 0.331 119.8-109.7 -94.7 5.8 -16.9 30.8 5.7 10 16 A D S < S+ 0 0 40 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.884 70.9 147.2 65.4 39.8 -17.2 29.1 9.1 11 17 A E - 0 0 110 -4,-0.0 -4,-2.1 2,-0.0 2,-0.3 -0.896 54.6-109.7-106.6 136.4 -17.6 32.5 10.7 12 18 A V E +A 6 0A 70 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.499 42.3 164.3 -69.4 127.6 -19.8 32.8 13.8 13 19 A V E - 0 0 93 -8,-2.7 2,-0.3 1,-0.3 -7,-0.2 0.218 62.0 -40.1-127.1 10.0 -23.0 34.7 13.1 14 20 A G E -A 5 0A 18 -9,-0.9 -9,-3.4 2,-0.0 2,-0.3 -0.972 61.6 -90.2 157.9-168.2 -25.1 33.8 16.1 15 21 A Q E -A 4 0A 98 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.925 25.5-172.0-137.3 162.2 -26.1 31.0 18.5 16 22 A I E -A 3 0A 21 -13,-2.6 -13,-3.5 -2,-0.3 2,-0.3 -0.992 30.6-105.3-155.4 147.8 -28.8 28.3 18.8 17 23 A L E > -A 2 0A 64 -2,-0.3 3,-2.0 -15,-0.2 -15,-0.2 -0.568 28.0-128.7 -75.9 137.4 -29.9 25.7 21.3 18 24 A R T 3 S+ 0 0 111 -17,-3.6 -1,-0.1 1,-0.3 -16,-0.1 0.799 110.6 46.1 -53.6 -33.5 -28.9 22.2 20.5 19 25 A T T 3 S+ 0 0 116 -18,-0.3 -1,-0.3 3,-0.0 -17,-0.1 0.336 81.8 127.9 -95.1 7.2 -32.5 21.0 20.9 20 26 A D X - 0 0 57 -3,-2.0 3,-2.2 1,-0.2 -4,-0.0 -0.460 60.1-138.8 -67.4 127.2 -34.0 23.9 18.8 21 27 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.704 102.1 61.1 -59.9 -19.5 -36.3 22.5 16.1 22 28 A A T 3 S+ 0 0 56 2,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.473 77.0 131.8 -87.2 0.1 -34.9 25.0 13.7 23 29 A L < - 0 0 25 -3,-2.2 2,-0.4 -6,-0.1 3,-0.1 -0.242 36.8-169.9 -57.1 134.6 -31.4 23.5 14.0 24 30 A R > - 0 0 117 1,-0.1 3,-1.9 0, 0.0 -2,-0.1 -0.995 17.4-148.2-127.5 120.0 -29.6 22.8 10.8 25 31 A W G > S+ 0 0 89 -2,-0.4 3,-1.5 1,-0.3 78,-0.4 0.787 96.6 63.4 -61.9 -27.6 -26.4 20.8 11.0 26 32 A E G 3 S+ 0 0 68 1,-0.3 -1,-0.3 76,-0.2 76,-0.1 0.550 100.1 56.6 -73.1 -6.0 -24.8 22.6 8.1 27 33 A R G < S+ 0 0 132 -3,-1.9 -21,-2.3 68,-0.1 2,-0.3 0.247 104.5 59.6-107.8 9.9 -25.0 25.8 10.2 28 34 A V S < S- 0 0 0 -3,-1.5 75,-2.1 -23,-0.2 2,-0.4 -0.840 76.6-113.6-133.3 172.0 -23.0 24.4 13.1 29 35 A R E +c 103 0B 37 -25,-0.4 31,-2.7 31,-0.3 2,-0.3 -0.860 27.8 173.7-112.8 140.8 -19.6 23.0 14.0 30 36 A V E -cD 104 59B 14 73,-2.6 75,-1.0 -2,-0.4 2,-0.4 -0.881 20.6-136.4-134.3 166.5 -18.6 19.6 15.2 31 37 A V E -cD 105 58B 2 27,-2.6 27,-2.1 -2,-0.3 2,-0.3 -0.946 17.7-176.2-125.6 148.6 -15.3 17.8 15.8 32 38 A N E -cD 106 57B 21 73,-1.8 75,-2.3 -2,-0.4 2,-0.3 -0.987 3.8-178.3-142.2 145.4 -14.3 14.2 14.8 33 39 A A E -cD 107 56B 0 23,-2.2 23,-1.8 -2,-0.3 22,-0.7 -0.994 16.5-147.5-148.4 153.2 -11.2 12.2 15.5 34 40 A F E -c 108 0B 0 73,-2.0 75,-3.2 -2,-0.3 2,-0.7 -0.967 11.7-144.8-121.2 135.8 -9.7 8.9 14.7 35 41 A L E -c 109 0B 2 8,-0.4 8,-2.3 -2,-0.4 2,-0.4 -0.909 25.9-173.0 -98.8 116.6 -7.4 7.0 17.1 36 42 A R E -cE 110 42B 60 73,-3.0 75,-1.4 -2,-0.7 6,-0.2 -0.948 8.1-153.1-118.5 134.4 -4.9 5.1 14.9 37 43 A N > - 0 0 3 4,-2.0 3,-1.4 -2,-0.4 75,-0.2 -0.226 38.9 -92.1 -91.6-175.4 -2.3 2.6 16.2 38 44 A S T 3 S+ 0 0 84 1,-0.3 74,-0.1 2,-0.1 -1,-0.1 0.542 122.3 64.6 -75.2 -5.8 1.1 1.6 14.7 39 45 A Q T 3 S- 0 0 136 2,-0.1 -1,-0.3 73,-0.0 3,-0.1 0.412 116.5-110.7 -94.9 -0.5 -0.6 -1.1 12.8 40 46 A G S < S+ 0 0 33 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.691 75.3 133.5 78.8 18.0 -2.6 1.4 10.7 41 47 A Q - 0 0 43 88,-0.1 -4,-2.0 89,-0.1 2,-0.4 -0.731 49.0-139.0-101.2 151.6 -5.9 0.4 12.3 42 48 A L E -EF 36 128B 1 86,-3.1 86,-2.4 -2,-0.3 2,-0.9 -0.886 19.4-122.6-108.6 139.0 -8.5 2.8 13.7 43 49 A W E - F 0 127B 2 -8,-2.3 -8,-0.4 -2,-0.4 84,-0.2 -0.722 33.7-168.8 -83.9 111.3 -10.3 2.2 17.0 44 50 A I E - F 0 126B 0 82,-2.9 82,-1.6 -2,-0.9 10,-0.1 -0.873 2.7-157.5-107.2 112.9 -13.9 2.2 16.0 45 51 A P E - F 0 125B 0 0, 0.0 8,-1.5 0, 0.0 2,-0.6 -0.314 19.0-120.3 -82.8 170.6 -16.5 2.2 18.7 46 52 A R E GF 52 124B 58 78,-2.0 77,-1.9 6,-0.2 78,-0.5 -0.962 360.0 360.0-113.4 109.8 -20.1 1.1 18.6 47 53 A R 0 0 17 4,-3.9 75,-0.1 -2,-0.6 5,-0.1 -0.509 360.0 360.0-132.9 360.0 -22.4 4.0 19.4 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 61 A P 0 0 72 0, 0.0 74,-0.3 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 91.1 -25.2 2.1 21.0 50 62 A N + 0 0 120 2,-0.1 2,-0.4 72,-0.1 92,-0.2 0.348 360.0 94.2-127.4 5.8 -25.0 -0.3 18.1 51 63 A A S S- 0 0 23 90,-0.1 -4,-3.9 92,-0.0 92,-0.3 -0.800 76.2-113.9-103.4 141.9 -23.8 1.8 15.2 52 64 A L B +Gh 46 143B 0 90,-2.8 92,-2.8 -2,-0.4 2,-0.3 -0.407 46.5 166.9 -66.5 146.4 -20.1 2.2 14.1 53 65 A D - 0 0 12 -8,-1.5 -1,-0.0 90,-0.2 4,-0.0 -0.897 39.8 -70.0-151.7 177.9 -18.8 5.7 14.6 54 66 A V - 0 0 2 -2,-0.3 3,-0.2 -10,-0.1 -20,-0.2 -0.325 51.2-109.5 -68.7 161.2 -15.6 7.8 14.7 55 67 A S S S+ 0 0 0 -22,-0.7 2,-0.4 1,-0.2 -21,-0.2 0.909 102.7 7.8 -58.0 -45.4 -13.3 7.2 17.7 56 68 A V E S+D 33 0B 3 -23,-1.8 -23,-2.2 -11,-0.0 2,-0.3 -0.995 80.4 151.8-140.4 130.6 -14.2 10.6 19.2 57 69 A G E +D 32 0B 11 -2,-0.4 2,-0.3 -25,-0.2 -25,-0.2 -0.971 2.0 128.7-163.0 146.0 -16.9 13.0 18.0 58 70 A G E -D 31 0B 18 -27,-2.1 -27,-2.6 -2,-0.3 2,-0.1 -0.954 51.4 -71.5 177.5 166.1 -19.3 15.7 19.1 59 71 A A E -D 30 0B 21 -2,-0.3 2,-0.4 -29,-0.2 -29,-0.3 -0.412 46.0-117.8 -73.6 146.8 -20.7 19.2 18.6 60 72 A V - 0 0 5 -31,-2.7 -56,-0.6 -2,-0.1 -31,-0.3 -0.727 32.3-127.0 -84.9 128.9 -18.6 22.2 19.5 61 73 A Q B > -B 3 0A 86 -2,-0.4 3,-2.6 4,-0.2 -58,-0.2 -0.455 36.6 -80.9 -78.2 150.4 -20.2 24.3 22.2 62 74 A S T 3 S+ 0 0 45 -60,-2.8 -1,-0.1 1,-0.3 3,-0.1 -0.197 118.5 13.9 -50.3 129.5 -20.8 28.0 21.8 63 75 A G T 3 S+ 0 0 68 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.338 102.4 120.2 85.8 -6.6 -17.7 30.0 22.5 64 76 A E < - 0 0 25 -3,-2.6 -1,-0.3 1,-0.0 2,-0.2 -0.645 58.1-134.0 -93.3 145.7 -15.6 26.9 22.3 65 77 A T > - 0 0 68 -2,-0.3 4,-2.0 -3,-0.1 5,-0.2 -0.508 29.2-105.6 -90.5 167.8 -12.7 26.4 19.8 66 78 A Y H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.921 120.4 49.7 -58.6 -46.5 -12.3 23.2 17.8 67 79 A E H > S+ 0 0 82 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.896 109.7 51.3 -61.2 -41.4 -9.3 22.1 19.9 68 80 A E H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 110.1 48.7 -64.3 -38.8 -11.2 22.7 23.2 69 81 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.898 111.3 51.7 -66.8 -38.3 -14.2 20.6 22.0 70 82 A F H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.957 109.7 47.6 -62.0 -51.7 -11.8 17.9 20.9 71 83 A R H X S+ 0 0 50 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.892 114.3 48.9 -57.8 -39.9 -10.1 17.8 24.3 72 84 A R H X S+ 0 0 48 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.938 113.6 43.0 -66.5 -49.6 -13.5 17.7 26.0 73 85 A E H X>S+ 0 0 15 -4,-2.9 4,-2.4 1,-0.2 5,-0.5 0.876 110.8 56.4 -66.1 -38.3 -15.1 14.9 23.9 74 86 A A H X5S+ 0 0 0 -4,-2.7 6,-1.8 -5,-0.2 4,-1.7 0.899 112.3 41.9 -61.6 -40.8 -11.9 12.8 24.1 75 87 A R H X5S+ 0 0 110 -4,-1.6 4,-0.7 4,-0.3 -2,-0.2 0.887 117.5 45.2 -77.2 -35.2 -11.9 12.8 27.8 76 88 A E H <5S+ 0 0 91 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.803 125.7 30.2 -78.1 -26.9 -15.7 12.3 28.3 77 89 A E H <5S+ 0 0 19 -4,-2.4 41,-2.6 -5,-0.2 -3,-0.2 0.825 138.8 17.1 -98.6 -38.3 -16.0 9.5 25.7 78 90 A L H < - 0 0 92 -2,-0.4 3,-2.2 1,-0.2 4,-0.4 -0.888 9.6-159.6 -99.1 105.0 -6.1 13.3 27.7 82 94 A I G > S+ 0 0 0 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.821 91.3 62.0 -56.5 -30.3 -5.1 14.5 24.3 83 95 A D G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.709 99.1 56.7 -68.6 -18.1 -2.3 16.4 25.8 84 96 A A G < S+ 0 0 73 -3,-2.2 -1,-0.3 2,-0.1 2,-0.3 0.477 111.4 45.6 -90.8 -4.1 -0.9 13.1 27.1 85 97 A L S < S- 0 0 59 -3,-1.4 2,-0.4 -4,-0.4 26,-0.1 -0.799 92.7 -92.3-131.5 174.0 -0.7 11.7 23.6 86 98 A S E +I 110 0B 79 24,-0.7 24,-3.1 -2,-0.3 2,-0.3 -0.767 54.4 151.9 -90.6 130.9 0.4 12.6 20.1 87 99 A W E +I 109 0B 61 -2,-0.4 22,-0.2 22,-0.2 -52,-0.0 -0.968 17.0 179.7-151.3 165.1 -2.3 14.2 17.9 88 100 A R E -I 108 0B 114 20,-1.4 20,-2.2 -2,-0.3 2,-0.3 -0.984 41.9 -84.3-165.6 156.2 -2.7 16.6 15.0 89 101 A P E -I 107 0B 80 0, 0.0 18,-0.3 0, 0.0 3,-0.1 -0.510 37.3-175.0 -66.0 127.8 -5.3 18.2 12.8 90 102 A L E - 0 0 43 16,-3.5 2,-0.3 1,-0.4 17,-0.2 0.862 58.5 -35.1 -91.8 -43.3 -6.0 15.8 10.0 91 103 A A E -I 106 0B 29 15,-1.8 15,-3.5 2,-0.0 -1,-0.4 -0.982 46.2-130.7-169.7 168.5 -8.3 17.9 7.9 92 104 A S E -I 105 0B 89 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.989 25.7-168.7-131.8 139.0 -11.1 20.5 7.9 93 105 A F E -I 104 0B 36 11,-2.3 11,-2.0 -2,-0.4 -2,-0.0 -0.967 16.2-143.5-135.2 151.8 -14.3 20.3 5.9 94 106 A S >> - 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