==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAR-04 1SU2 . COMPND 2 MOLECULE: MUTT/NUDIX FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR W.RANATUNGA,E.E.HILL,J.L.MOOSTER,E.L.HOLBROOK,U.SCHULZE- . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 64.5 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 21.4 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 0 0 0 4 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 . 2 4 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 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 1 A M 0 0 27 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 158.1 23.1 16.2 -38.3 2 2 A E - 0 0 55 1,-0.1 190,-0.1 273,-0.0 273,-0.0 -0.713 360.0-133.9 153.5 151.0 24.1 19.8 -38.8 3 3 A H S S+ 0 0 48 -2,-0.2 2,-0.6 2,-0.1 -1,-0.1 0.350 70.4 113.7-110.0 -0.4 25.3 22.5 -41.0 4 4 A D S S- 0 0 87 -3,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.645 73.6-117.9 -74.9 119.9 27.8 23.9 -38.5 5 5 A E + 0 0 167 -2,-0.6 2,-0.3 242,-0.0 -1,-0.1 -0.250 41.7 165.2 -62.5 141.2 31.2 23.3 -40.0 6 6 A R - 0 0 50 241,-0.2 241,-0.2 242,-0.1 2,-0.2 -0.971 30.5-119.5-150.3 155.0 33.7 21.1 -38.2 7 7 A T E -A 246 0A 91 239,-2.8 239,-2.5 -2,-0.3 2,-0.3 -0.570 32.3-102.9 -95.7 164.5 36.9 19.4 -39.2 8 8 A H E -A 245 0A 95 237,-0.2 237,-0.2 -2,-0.2 -1,-0.0 -0.682 23.2-156.6 -87.2 138.3 37.6 15.6 -39.2 9 9 A V - 0 0 14 235,-2.3 235,-0.4 -2,-0.3 2,-0.0 -0.895 21.6-136.8-115.5 97.9 39.7 14.2 -36.3 10 10 A P - 0 0 77 0, 0.0 2,-0.6 0, 0.0 82,-0.2 -0.309 11.3-157.0 -59.3 132.7 41.2 11.0 -37.6 11 11 A V - 0 0 43 1,-0.1 82,-0.1 80,-0.1 80,-0.1 -0.945 8.0-173.6-113.0 107.7 41.1 8.1 -35.2 12 12 A E + 0 0 106 -2,-0.6 2,-0.4 80,-0.3 81,-0.2 0.830 65.8 43.6 -71.5 -36.2 43.9 5.6 -36.2 13 13 A L E -e 93 0B 82 79,-2.2 81,-2.5 41,-0.0 2,-0.4 -0.922 59.4-172.1-121.5 142.9 43.1 2.8 -33.7 14 14 A R E -e 94 0B 64 38,-0.4 38,-3.1 -2,-0.4 2,-0.3 -0.994 4.3-173.6-129.8 132.3 39.7 1.3 -32.6 15 15 A A E -eF 95 51B 6 79,-2.4 81,-2.4 -2,-0.4 2,-0.4 -0.923 3.4-165.8-123.6 152.2 39.3 -1.3 -29.8 16 16 A A E +eF 96 50B 0 34,-2.5 34,-1.9 -2,-0.3 2,-0.3 -0.996 16.9 151.0-142.3 134.6 36.1 -3.1 -28.9 17 17 A G E -eF 97 49B 0 79,-2.4 81,-1.8 -2,-0.4 2,-0.3 -0.838 28.3-116.2-148.8-176.3 35.2 -5.1 -25.8 18 18 A V E -e 98 0B 2 30,-1.0 2,-0.9 -2,-0.3 81,-0.2 -0.954 11.8-140.6-135.8 152.7 32.4 -6.2 -23.5 19 19 A V E -e 99 0B 0 79,-2.8 81,-2.3 -2,-0.3 2,-0.6 -0.932 37.6-166.7-102.8 99.3 31.1 -5.9 -20.1 20 20 A L E -e 100 0B 0 -2,-0.9 8,-2.0 8,-0.4 2,-0.4 -0.835 6.5-174.2 -96.4 117.4 30.0 -9.5 -19.8 21 21 A L B -I 27 0C 3 79,-1.7 6,-0.2 -2,-0.6 2,-0.1 -0.887 11.6-148.7-112.4 142.6 27.7 -10.3 -16.8 22 22 A N > - 0 0 22 4,-1.6 3,-1.6 -2,-0.4 6,-0.0 -0.289 47.1 -79.1 -92.3-173.2 26.6 -13.7 -15.7 23 23 A E T 3 S+ 0 0 159 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.685 131.0 51.3 -63.2 -18.4 23.2 -14.3 -14.1 24 24 A R T 3 S- 0 0 182 2,-0.1 -1,-0.3 130,-0.0 3,-0.1 0.479 118.6-106.6 -96.4 -4.5 24.4 -13.1 -10.7 25 25 A G < + 0 0 2 -3,-1.6 2,-0.1 1,-0.3 -2,-0.1 0.597 68.8 149.5 89.0 11.9 25.8 -9.8 -12.0 26 26 A D - 0 0 17 97,-0.1 -4,-1.6 1,-0.1 2,-0.4 -0.489 41.9-128.4 -74.1 150.6 29.4 -10.9 -11.7 27 27 A I E -IJ 21 122C 0 95,-2.6 95,-2.4 -6,-0.2 2,-0.6 -0.827 7.2-128.4-107.7 141.3 31.7 -9.4 -14.3 28 28 A L E + J 0 121C 1 -8,-2.0 -8,-0.4 -2,-0.4 2,-0.3 -0.761 35.3 179.8 -87.1 120.0 34.2 -11.2 -16.6 29 29 A L E - J 0 120C 0 91,-2.9 91,-2.5 -2,-0.6 2,-0.4 -0.895 21.7-141.6-124.2 154.2 37.6 -9.7 -16.4 30 30 A V E -KJ 46 119C 0 16,-3.4 16,-2.3 -2,-0.3 2,-0.4 -0.929 16.2-143.8-113.3 134.6 41.0 -10.4 -18.0 31 31 A Q E -KJ 45 118C 34 87,-3.0 86,-2.9 -2,-0.4 87,-1.0 -0.850 14.0-126.1-105.4 134.8 44.3 -10.2 -16.2 32 32 A E E - J 0 116C 1 12,-2.8 2,-2.4 -2,-0.4 84,-0.2 -0.336 32.4-103.2 -70.7 155.1 47.5 -8.9 -17.7 33 33 A K S S- 0 0 94 82,-0.6 -1,-0.1 1,-0.3 83,-0.1 -0.509 84.3 -55.5 -85.6 74.6 50.7 -11.1 -17.4 34 34 A G - 0 0 9 -2,-2.4 -1,-0.3 10,-0.1 8,-0.3 0.717 59.6-100.2 57.7 134.3 52.1 -9.1 -14.8 35 35 A I - 0 0 47 6,-2.4 5,-0.2 -3,-0.2 8,-0.1 -0.591 35.6-117.1 -76.4 134.5 52.7 -5.5 -14.7 36 36 A P S S+ 0 0 96 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.710 70.4 124.4 -49.2 -29.9 56.4 -4.6 -15.4 37 37 A G S S- 0 0 63 4,-0.2 3,-0.2 2,-0.1 4,-0.1 0.567 71.9 -52.6 -5.4-159.6 57.1 -3.0 -11.9 38 38 A H S S- 0 0 149 1,-0.2 2,-0.7 3,-0.0 0, 0.0 -0.176 109.4 -25.5 -81.6 176.0 59.9 -4.0 -9.4 39 39 A P S S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.091 125.8 69.4 -36.4 82.3 60.3 -7.6 -8.3 40 40 A E - 0 0 123 -2,-0.7 -5,-0.0 -4,-0.2 -2,-0.0 -0.440 45.4-178.4 165.8 116.8 56.5 -8.3 -9.0 41 41 A K + 0 0 90 -7,-0.1 -6,-2.4 -2,-0.1 -4,-0.2 0.939 20.1 162.1 -87.3 -59.6 54.3 -8.6 -12.0 42 42 A A - 0 0 44 -8,-0.3 -9,-0.1 1,-0.1 -10,-0.1 0.602 46.0-122.5 50.8 27.6 50.8 -9.2 -10.4 43 43 A G - 0 0 2 -12,-0.1 2,-0.2 1,-0.1 -10,-0.1 0.712 14.0-123.4 8.0 133.6 48.7 -8.3 -13.5 44 44 A L - 0 0 17 -13,-0.1 -12,-2.8 92,-0.1 2,-0.3 -0.519 29.3-117.7 -86.9 162.9 46.0 -5.5 -13.6 45 45 A W E +Kl 31 136C 31 90,-2.9 92,-2.0 -14,-0.2 93,-0.5 -0.780 36.3 159.4-106.9 146.9 42.5 -6.4 -14.7 46 46 A H E -K 30 0C 0 -16,-2.3 -16,-3.4 -2,-0.3 3,-0.0 -0.967 43.7 -85.1-152.1 166.1 40.5 -5.1 -17.6 47 47 A I - 0 0 6 -2,-0.3 2,-0.9 -18,-0.2 -18,-0.2 -0.395 57.9 -88.9 -74.3 156.6 37.4 -6.2 -19.6 48 48 A P S S+ 0 0 0 0, 0.0 -30,-1.0 0, 0.0 2,-0.3 -0.435 71.9 141.8 -58.1 102.0 38.0 -8.5 -22.4 49 49 A S E +F 17 0B 2 -2,-0.9 2,-0.3 -32,-0.2 -32,-0.3 -0.938 21.6 174.9-141.5 174.8 38.7 -6.3 -25.4 50 50 A G E -F 16 0B 7 -34,-1.9 -34,-2.5 -2,-0.3 2,-0.1 -0.936 39.5 -56.4-159.7 178.0 40.9 -6.2 -28.5 51 51 A A E -F 15 0B 60 -2,-0.3 2,-0.6 -36,-0.2 -36,-0.3 -0.394 41.1-134.6 -68.5 138.1 41.8 -4.3 -31.7 52 52 A V - 0 0 9 -38,-3.1 -38,-0.4 -2,-0.1 3,-0.1 -0.825 28.0-121.6 -89.1 123.8 39.1 -3.7 -34.3 53 53 A E > - 0 0 101 -2,-0.6 3,-1.9 4,-0.2 2,-0.2 -0.353 41.2 -86.7 -63.3 150.9 40.5 -4.5 -37.8 54 54 A D T 3 S+ 0 0 152 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.415 115.7 7.8 -61.2 125.3 40.5 -1.6 -40.2 55 55 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.218 100.5 123.2 88.5 -14.3 37.1 -1.6 -41.8 56 56 A E S < S- 0 0 46 -3,-1.9 -1,-0.3 1,-0.1 5,-0.0 -0.541 73.4 -94.0 -84.6 149.5 35.6 -4.4 -39.6 57 57 A N > - 0 0 21 -2,-0.2 4,-2.0 1,-0.1 -4,-0.2 -0.373 27.2-142.3 -61.0 126.5 32.4 -3.8 -37.6 58 58 A P H > S+ 0 0 2 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.892 99.5 52.1 -57.5 -44.9 33.2 -2.7 -34.1 59 59 A Q H > S+ 0 0 27 180,-0.4 4,-1.7 1,-0.2 5,-0.1 0.902 109.4 48.4 -59.3 -45.7 30.4 -4.7 -32.5 60 60 A D H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.879 108.9 55.6 -64.3 -36.1 31.5 -7.9 -34.3 61 61 A A H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.883 103.6 53.7 -62.5 -40.1 35.0 -7.3 -33.1 62 62 A A H X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.918 111.5 45.6 -60.8 -43.5 33.9 -7.1 -29.5 63 63 A V H X S+ 0 0 40 -4,-1.7 4,-1.8 2,-0.2 11,-0.3 0.914 114.7 47.6 -65.2 -45.0 32.2 -10.5 -29.8 64 64 A R H X S+ 0 0 65 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.944 112.8 47.9 -62.3 -50.5 35.3 -11.9 -31.6 65 65 A E H X S+ 0 0 18 -4,-3.3 4,-2.4 1,-0.2 5,-0.3 0.888 107.7 55.6 -58.9 -42.4 37.7 -10.6 -29.0 66 66 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.3 6,-0.6 0.923 112.2 43.3 -57.8 -44.2 35.7 -11.8 -26.1 67 67 A C H X S+ 0 0 30 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.916 112.0 53.0 -68.6 -43.8 35.8 -15.3 -27.5 68 68 A E H < S+ 0 0 104 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.874 118.1 36.2 -59.9 -38.4 39.5 -15.2 -28.3 69 69 A E H < S+ 0 0 14 -4,-2.4 42,-2.0 -5,-0.2 -2,-0.2 0.818 133.0 21.9 -87.1 -32.1 40.4 -14.1 -24.8 70 70 A T H < S- 0 0 0 -4,-2.2 39,-2.1 -5,-0.3 -3,-0.2 0.582 92.4-122.9-112.7 -14.7 38.0 -16.0 -22.6 71 71 A G S < S+ 0 0 26 -4,-2.3 2,-0.4 -5,-0.4 36,-0.2 0.468 71.9 126.4 83.1 1.6 36.9 -18.9 -24.8 72 72 A L - 0 0 5 -6,-0.6 2,-0.5 34,-0.1 -1,-0.3 -0.802 58.6-139.2-100.6 132.8 33.3 -17.8 -24.3 73 73 A R - 0 0 132 -2,-0.4 30,-2.6 30,-0.1 2,-0.3 -0.760 33.7-173.3 -83.7 125.9 30.9 -17.1 -27.2 74 74 A V E -G 102 0B 7 -2,-0.5 -7,-0.1 -11,-0.3 -8,-0.0 -0.863 21.1-139.8-122.4 156.1 29.0 -14.0 -26.2 75 75 A R E -G 101 0B 112 26,-3.2 26,-1.9 -2,-0.3 2,-0.5 -0.889 23.9-121.7-110.3 150.4 26.1 -12.1 -27.6 76 76 A P E +G 100 0B 45 0, 0.0 24,-0.3 0, 0.0 3,-0.1 -0.779 29.7 177.9 -87.5 129.2 26.0 -8.3 -27.6 77 77 A V E - 0 0 58 22,-3.1 2,-0.3 -2,-0.5 23,-0.2 0.829 60.5 -14.7 -99.7 -44.2 23.0 -7.0 -25.7 78 78 A K E -G 99 0B 27 21,-1.4 21,-3.4 141,-0.0 -1,-0.3 -0.959 64.4-108.0-163.8 142.6 23.4 -3.2 -25.9 79 79 A F E -G 98 0B 0 -2,-0.3 140,-0.4 19,-0.2 19,-0.2 -0.561 30.8-178.2 -72.1 135.2 26.0 -0.6 -26.7 80 80 A L E - 0 0 12 17,-2.9 2,-0.3 1,-0.3 18,-0.2 0.796 48.2 -66.2-103.9 -41.7 27.2 1.2 -23.6 81 81 A G E -G 97 0B 7 16,-1.6 16,-2.6 136,-0.1 -1,-0.3 -0.958 31.1-123.7 168.6 173.3 29.6 3.7 -24.8 82 82 A A E -G 96 0B 5 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.983 22.5-170.4-140.5 146.8 32.9 4.7 -26.4 83 83 A Y E -G 95 0B 16 12,-1.9 12,-2.7 -2,-0.3 2,-0.4 -0.978 16.6-121.5-142.2 157.8 35.7 6.9 -25.2 84 84 A L E +G 94 0B 2 85,-0.4 85,-2.3 -2,-0.3 2,-0.3 -0.816 23.8 174.5-109.7 136.8 38.9 8.4 -26.5 85 85 A G E -GH 93 168B 7 8,-2.4 8,-2.5 -2,-0.4 2,-0.4 -0.886 16.5-146.6-130.8 161.4 42.5 8.1 -25.6 86 86 A R E -GH 92 167B 77 81,-2.4 81,-2.8 -2,-0.3 6,-0.2 -0.981 11.6-140.3-135.2 123.6 45.8 9.4 -27.0 87 87 A F > - 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