==== 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 UNKNOWN FUNCTION 14-SEP-05 2B0V . COMPND 2 MOLECULE: NUDIX HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA; . AUTHOR J.OSIPIUK,T.SKARINA,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,MCSG, . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 27.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 1 0.7 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 . 12 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 1 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 . 1 1 2 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 238 0, 0.0 77,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -32.6 26.4 1.5 21.2 2 5 A P - 0 0 59 0, 0.0 2,-0.5 0, 0.0 77,-0.2 -0.575 360.0-112.6 -66.8 152.1 23.9 4.2 20.2 3 6 A N E -a 79 0A 63 75,-3.1 77,-2.5 -2,-0.2 2,-0.5 -0.788 26.1-136.8 -86.3 127.5 23.4 4.2 16.4 4 7 A V E +a 80 0A 40 -2,-0.5 33,-2.8 75,-0.2 2,-0.3 -0.688 31.8 170.5 -89.4 126.9 24.8 7.4 14.8 5 8 A T E -aB 81 36A 11 75,-2.8 77,-2.9 -2,-0.5 2,-0.3 -0.851 20.0-146.0-129.2 168.8 22.6 8.8 12.1 6 9 A V E -aB 82 35A 0 29,-2.6 29,-1.9 -2,-0.3 2,-0.3 -0.934 12.3-176.5-135.4 155.3 22.5 12.0 10.1 7 10 A A E -aB 83 34A 1 75,-1.7 77,-2.4 -2,-0.3 2,-0.5 -0.988 15.4-137.9-152.5 150.5 19.7 14.2 8.7 8 11 A A E -a 84 0A 0 25,-1.9 2,-0.7 -2,-0.3 77,-0.2 -0.963 1.6-157.2-119.2 128.6 19.4 17.3 6.5 9 12 A V E -a 85 0A 2 75,-3.0 77,-1.2 -2,-0.5 2,-0.6 -0.917 20.3-179.1 -96.8 109.8 17.1 20.2 6.9 10 13 A I + 0 0 2 -2,-0.7 7,-2.3 7,-0.4 2,-0.4 -0.944 3.0 176.9-119.1 107.4 16.9 21.7 3.4 11 14 A E E +E 16 0B 59 -2,-0.6 2,-0.4 75,-0.4 5,-0.2 -0.940 8.4 171.0-119.1 129.1 14.7 24.9 3.3 12 15 A Q E > S-E 15 0B 101 3,-2.6 3,-1.4 -2,-0.4 -2,-0.0 -0.972 75.9 -17.5-141.5 117.6 14.1 27.0 0.2 13 16 A D T 3 S- 0 0 127 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.871 128.0 -50.3 49.4 48.5 11.5 29.7 0.2 14 17 A D T 3 S+ 0 0 123 1,-0.2 95,-0.7 94,-0.1 2,-0.3 0.592 117.8 107.0 69.3 15.0 9.7 28.3 3.3 15 18 A K E < -EF 12 108B 95 -3,-1.4 -3,-2.6 93,-0.2 2,-0.4 -0.921 58.0-143.7-118.5 151.8 9.4 24.8 1.9 16 19 A Y E -EF 11 107B 10 91,-2.6 91,-2.6 -2,-0.3 2,-0.7 -0.935 14.4-126.3-118.1 135.7 11.5 21.7 3.0 17 20 A L E + F 0 106B 2 -7,-2.3 -7,-0.4 -2,-0.4 2,-0.3 -0.707 46.1 161.7 -79.2 114.2 12.9 18.9 0.9 18 21 A L E - F 0 105B 1 87,-2.6 87,-2.3 -2,-0.7 2,-0.4 -0.798 30.9-126.7-127.5 167.6 11.6 15.7 2.5 19 22 A V E -GF 31 104B 0 12,-3.0 12,-2.2 -2,-0.3 2,-0.5 -0.920 3.7-145.1-118.3 143.3 11.2 12.1 1.5 20 23 A E E +GF 30 103B 21 83,-2.8 82,-2.8 -2,-0.4 83,-1.3 -0.940 40.3 169.7 -95.8 126.9 8.2 9.8 1.6 21 24 A E E -GF 29 101B 7 8,-2.9 8,-3.2 -2,-0.5 80,-0.2 -0.923 41.4-137.2-141.1 156.4 9.7 6.4 2.4 22 25 A I + 0 0 55 78,-2.7 6,-0.2 -2,-0.3 3,-0.1 -0.892 22.8 178.4-117.7 96.3 8.6 2.9 3.4 23 26 A P S S- 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.791 70.2 -8.7 -71.1 -30.9 11.1 1.8 6.2 24 27 A R S S- 0 0 159 3,-0.3 3,-0.5 76,-0.1 76,-0.0 -0.957 120.0 -3.6-158.0 159.3 9.5 -1.6 6.8 25 28 A G S S- 0 0 71 -2,-0.3 -3,-0.0 1,-0.2 0, 0.0 -0.251 108.2 -54.7 57.4-128.3 6.4 -3.3 5.6 26 29 A T S S+ 0 0 129 2,-0.1 2,-0.2 -3,-0.0 -1,-0.2 0.513 90.8 118.8-126.1 -13.3 4.2 -1.1 3.5 27 30 A A - 0 0 52 -3,-0.5 2,-0.4 1,-0.1 -3,-0.3 -0.439 57.3-132.4 -72.0 129.0 3.4 2.1 5.5 28 31 A I - 0 0 68 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.628 27.0-174.3 -78.5 131.7 4.5 5.4 4.0 29 32 A K E -G 21 0B 67 -8,-3.2 -8,-2.9 -2,-0.4 2,-0.4 -0.903 20.2-131.2-125.0 150.5 6.3 7.7 6.3 30 33 A L E +Gh 20 119B 0 88,-2.3 90,-3.0 -2,-0.3 91,-0.3 -0.860 39.6 149.3 -99.2 140.2 7.6 11.3 5.9 31 34 A N E -G 19 0B 5 -12,-2.2 -12,-3.0 -2,-0.4 3,-0.1 -0.984 48.0 -94.7-157.8 159.7 11.2 12.1 7.0 32 35 A Q - 0 0 0 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.501 63.5 -83.4 -64.2 158.0 14.2 14.3 6.3 33 36 A P S S+ 0 0 1 0, 0.0 -25,-1.9 0, 0.0 2,-0.3 -0.526 82.7 143.8 -56.9 124.8 16.8 12.8 3.9 34 37 A A E +B 7 0A 10 16,-0.3 2,-0.3 -2,-0.2 -27,-0.2 -0.978 20.7 147.9-164.4 161.8 18.6 10.8 6.6 35 38 A G E -B 6 0A 15 -29,-1.9 -29,-2.6 -2,-0.3 2,-0.2 -0.972 45.0 -53.0 174.0-176.5 20.4 7.6 7.4 36 39 A H E -B 5 0A 86 -2,-0.3 -31,-0.3 -31,-0.2 2,-0.1 -0.531 50.3-110.5 -81.7 140.7 23.0 5.7 9.3 37 40 A L - 0 0 60 -33,-2.8 -33,-0.1 -2,-0.2 -1,-0.1 -0.465 36.4-152.2 -57.4 136.5 26.7 6.7 9.5 38 41 A E > - 0 0 95 4,-0.2 3,-0.8 -2,-0.1 8,-0.1 -0.749 26.7 -88.4-109.8 155.1 28.8 4.1 7.5 39 42 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.286 106.6 32.5 -59.8 153.9 32.5 3.3 8.2 40 43 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 0, 0.0 106,-0.0 0.645 100.0 91.7 82.0 15.6 35.1 5.4 6.5 41 44 A E S < S- 0 0 33 -3,-0.8 -1,-0.2 4,-0.0 2,-0.1 -0.992 71.0-115.3-141.4 155.0 33.3 8.7 6.3 42 45 A S > - 0 0 19 -2,-0.3 4,-2.1 1,-0.1 -4,-0.2 -0.368 33.3-113.7 -78.4 165.0 32.9 11.9 8.3 43 46 A I H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.924 116.8 50.7 -66.4 -43.4 29.5 12.8 9.7 44 47 A I H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 111.6 47.6 -60.9 -43.6 29.2 15.8 7.5 45 48 A Q H > S+ 0 0 114 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.878 107.3 56.9 -66.7 -32.3 30.0 13.7 4.4 46 49 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.892 106.0 52.2 -60.5 -41.5 27.5 11.1 5.6 47 50 A C H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.940 110.9 45.0 -61.4 -47.3 24.9 13.8 5.6 48 51 A S H X S+ 0 0 18 -4,-2.0 4,-2.3 1,-0.2 11,-0.3 0.883 111.9 53.5 -64.6 -38.5 25.7 14.9 2.0 49 52 A R H X S+ 0 0 37 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.927 108.5 49.8 -61.6 -46.0 25.7 11.2 0.9 50 53 A E H X S+ 0 0 12 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.904 108.5 52.0 -63.2 -41.3 22.3 10.6 2.3 51 54 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 6,-0.7 0.954 115.2 42.4 -57.8 -47.3 20.8 13.7 0.6 52 55 A L H X S+ 0 0 73 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.927 116.3 46.6 -63.8 -46.9 22.2 12.5 -2.7 53 56 A E H < S+ 0 0 65 -4,-3.0 45,-2.3 1,-0.2 -1,-0.2 0.787 121.5 36.2 -68.0 -29.9 21.2 8.8 -2.3 54 57 A E H < S+ 0 0 19 -4,-2.2 -1,-0.2 43,-0.2 -2,-0.2 0.635 133.5 19.8 -97.0 -23.0 17.6 9.6 -1.1 55 58 A T H < S- 0 0 2 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.550 88.4-123.3-125.1 -14.8 16.7 12.6 -3.2 56 59 A G S < S+ 0 0 0 -4,-2.1 36,-1.5 -5,-0.4 2,-0.4 0.507 76.1 116.9 73.6 7.5 19.0 12.8 -6.2 57 60 A H E -C 91 0A 20 -6,-0.7 2,-0.3 34,-0.2 -1,-0.3 -0.864 65.7-127.7-101.9 140.6 20.1 16.3 -5.2 58 61 A S E -C 90 0A 31 32,-1.5 31,-2.3 -2,-0.4 32,-0.7 -0.656 28.6-141.1 -84.2 144.3 23.7 17.2 -4.2 59 62 A F E -C 88 0A 16 -2,-0.3 29,-0.2 -11,-0.3 -11,-0.1 -0.830 17.7-162.6-114.4 142.3 24.0 18.9 -0.8 60 63 A L E -C 87 0A 88 27,-3.1 27,-1.8 -2,-0.4 2,-0.0 -0.928 24.6-144.2-115.8 99.8 26.2 21.7 0.5 61 64 A P E +C 86 0A 26 0, 0.0 25,-0.3 0, 0.0 3,-0.1 -0.374 26.5 169.0 -66.3 143.8 26.2 21.6 4.3 62 65 A E E + 0 0 88 23,-2.9 77,-0.5 1,-0.4 2,-0.3 0.687 56.5 0.4-119.1 -45.7 26.3 25.0 5.9 63 66 A V E -C 85 0A 29 22,-2.0 22,-2.4 75,-0.2 -1,-0.4 -0.971 61.2-113.9-143.7 158.9 25.6 24.6 9.7 64 67 A L E -CD 84 137A 6 73,-2.9 73,-3.2 -2,-0.3 20,-0.3 -0.806 26.5-175.0 -86.7 136.9 24.8 22.0 12.4 65 68 A T E - 0 0 2 18,-2.9 2,-0.3 -2,-0.4 19,-0.2 0.681 56.8 -34.7-107.7 -24.4 21.3 22.6 13.7 66 69 A G E -C 83 0A 12 17,-1.3 17,-2.9 71,-0.1 2,-0.4 -0.908 40.8-127.8 175.8 159.5 21.1 20.0 16.5 67 70 A I E -C 82 0A 81 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.994 28.0-160.4-124.0 122.8 22.2 16.6 17.9 68 71 A Y E -C 81 0A 26 13,-2.3 13,-2.9 -2,-0.4 2,-0.6 -0.903 7.9-168.4-115.0 126.5 19.3 14.4 19.1 69 72 A H E +C 80 0A 138 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.945 30.3 137.3-116.7 109.4 19.8 11.5 21.4 70 73 A W E -C 79 0A 52 9,-1.9 9,-3.2 -2,-0.6 2,-0.5 -0.968 46.2-124.4-148.9 166.1 16.7 9.3 21.8 71 74 A T E -C 78 0A 78 -2,-0.3 2,-0.8 7,-0.3 7,-0.2 -0.967 20.2-137.8-116.0 127.6 15.4 5.8 22.0 72 75 A C E >>> -C 77 0A 27 5,-2.7 4,-1.2 -2,-0.5 5,-0.6 -0.775 14.3-157.0 -80.4 111.5 12.7 4.5 19.6 73 76 A A T 345S+ 0 0 100 -2,-0.8 -1,-0.2 1,-0.2 3,-0.1 0.840 86.7 59.5 -62.3 -34.0 10.4 2.5 21.9 74 77 A S T 345S+ 0 0 109 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.816 122.2 22.3 -67.1 -32.8 9.0 0.4 19.1 75 78 A N T <45S- 0 0 59 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.330 97.6-128.8-117.8 5.8 12.4 -1.0 18.1 76 79 A G T <5 + 0 0 58 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.508 61.2 140.4 65.7 6.6 14.3 -0.5 21.4 77 80 A T E < - C 0 72A 38 -5,-0.6 -5,-2.7 -75,-0.0 2,-0.4 -0.680 45.0-144.5 -95.5 131.6 17.1 1.3 19.4 78 81 A T E - C 0 71A 40 -2,-0.4 -75,-3.1 -7,-0.2 2,-0.3 -0.760 21.0-167.7 -92.8 136.7 19.0 4.4 20.7 79 82 A Y E -aC 3 70A 29 -9,-3.2 -9,-1.9 -2,-0.4 2,-0.4 -0.898 23.4-157.6-126.1 149.7 20.0 6.9 18.1 80 83 A L E -aC 4 69A 43 -77,-2.5 -75,-2.8 -2,-0.3 2,-0.7 -0.938 23.2-165.9-123.7 104.9 22.3 9.9 18.0 81 84 A R E -aC 5 68A 8 -13,-2.9 -13,-2.3 -2,-0.4 2,-0.6 -0.830 9.0-160.2-102.4 111.9 21.1 12.0 15.1 82 85 A F E -aC 6 67A 22 -77,-2.9 -75,-1.7 -2,-0.7 2,-0.4 -0.838 16.2-162.0 -88.0 122.1 23.4 14.8 13.8 83 86 A T E -aC 7 66A 0 -17,-2.9 -18,-2.9 -2,-0.6 -17,-1.3 -0.881 9.2-176.1-114.4 133.3 21.2 17.3 11.9 84 87 A F E -aC 8 64A 0 -77,-2.4 -75,-3.0 -2,-0.4 2,-0.3 -0.918 15.5-145.7-123.3 152.9 22.6 19.8 9.4 85 88 A S E +aC 9 63A 6 -22,-2.4 -23,-2.9 -2,-0.3 -22,-2.0 -0.881 37.7 126.1-111.6 150.3 21.1 22.6 7.3 86 89 A G E - C 0 61A 4 -77,-1.2 -75,-0.4 -2,-0.3 2,-0.3 -0.968 49.6 -74.1-174.1-172.2 22.4 23.5 3.9 87 90 A Q E - C 0 60A 98 -27,-1.8 -27,-3.1 -2,-0.3 2,-0.5 -0.723 27.4-129.4 -99.5 154.6 21.7 24.1 0.3 88 91 A V E + C 0 59A 22 -2,-0.3 -29,-0.2 -29,-0.2 3,-0.1 -0.877 25.8 179.0 -95.7 136.2 20.9 21.8 -2.6 89 92 A V E + 0 0 83 -31,-2.3 2,-0.3 -2,-0.5 -30,-0.1 0.374 58.8 19.1-124.9 -3.6 23.2 22.7 -5.5 90 93 A S E - C 0 58A 43 -32,-0.7 -32,-1.5 2,-0.0 2,-0.3 -0.965 54.1-166.9-157.9 159.0 22.3 20.2 -8.2 91 94 A F E - C 0 57A 117 -2,-0.3 -34,-0.2 -34,-0.2 -35,-0.1 -0.979 4.2-178.8-145.3 136.0 19.5 17.8 -9.2 92 95 A D > - 0 0 63 -36,-1.5 3,-1.6 -2,-0.3 -2,-0.0 -0.936 17.3-154.5-135.1 115.5 19.4 15.1 -11.8 93 96 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -36,-0.1 0.667 93.1 59.5 -63.1 -15.8 16.1 13.2 -12.2 94 97 A D T 3 S+ 0 0 128 -38,-0.1 2,-0.1 2,-0.1 -38,-0.1 0.600 74.8 112.4 -90.0 -12.8 17.9 10.1 -13.5 95 98 A R S < S- 0 0 87 -3,-1.6 2,-0.3 -39,-0.2 -3,-0.0 -0.376 77.7-113.2 -56.5 130.9 20.0 9.6 -10.3 96 99 A K - 0 0 178 -2,-0.1 2,-0.3 -40,-0.0 -40,-0.2 -0.549 26.8-143.8 -73.8 132.9 18.8 6.4 -8.7 97 100 A L - 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