==== 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 25-MAR-08 3CNG . COMPND 2 MOLECULE: NUDIX HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NITROSOMONAS EUROPAEA ATCC 19718; . AUTHOR J.OSIPIUK,X.XU,H.ZHENG,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK, . 708 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34437.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 453 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 4 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 . 1 0.1 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 . 37 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 0 0 0 0 6 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 4 0 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 PARALLEL BRIDGES PER LADDER . 5 8 12 0 0 4 0 0 4 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 4 0 0 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 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 X 0 0 56 0, 0.0 183,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 135.6 92.0 42.0 19.9 2 2 A K + 0 0 118 181,-2.6 9,-1.5 1,-0.3 2,-0.3 0.684 360.0 35.1-120.8 -27.2 91.2 43.6 16.5 3 3 A F B S-A 10 0A 45 180,-2.0 2,-0.4 7,-0.3 7,-0.3 -0.931 81.0 -99.3-137.7 154.5 91.2 40.9 13.8 4 4 A C > - 0 0 0 5,-3.7 4,-2.4 -2,-0.3 3,-0.1 -0.589 20.9-148.1 -78.4 126.6 90.2 37.3 13.3 5 5 A S T 4 S+ 0 0 30 -2,-0.4 176,-2.7 1,-0.2 175,-2.2 0.654 96.5 47.8 -67.5 -15.5 93.2 34.8 13.5 6 6 A Q T 4 S+ 0 0 82 174,-0.2 -1,-0.2 173,-0.2 176,-0.0 0.808 131.1 6.4 -96.1 -38.3 91.4 32.5 11.1 7 7 A C T 4 S- 0 0 26 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.0 0.403 90.5-116.9-126.7 -5.9 90.2 34.8 8.2 8 8 A G < + 0 0 17 -4,-2.4 -3,-0.1 1,-0.2 3,-0.1 0.395 65.3 141.0 83.5 -5.0 91.7 38.2 8.9 9 9 A G - 0 0 13 -6,-0.1 -5,-3.7 1,-0.1 2,-0.3 -0.210 62.5 -94.0 -65.7 158.2 88.2 39.9 9.3 10 10 A E B -A 3 0A 140 -7,-0.3 -7,-0.3 1,-0.0 18,-0.2 -0.588 41.7-141.9 -68.0 128.8 87.7 42.6 12.0 11 11 A V - 0 0 14 -9,-1.5 2,-0.3 -2,-0.3 15,-0.2 -0.647 13.2-159.5 -89.7 155.7 86.3 41.1 15.2 12 12 A I E -B 25 0B 47 13,-2.6 13,-2.7 -2,-0.2 2,-0.5 -0.920 21.5-111.6-130.1 155.9 83.7 42.8 17.4 13 13 A L E +B 24 0B 80 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.791 46.0 156.5 -91.8 129.5 82.7 42.4 21.0 14 14 A R E -B 23 0B 117 9,-2.2 9,-3.2 -2,-0.5 7,-0.0 -0.988 41.7-120.9-151.4 149.5 79.2 40.9 21.6 15 15 A I - 0 0 87 -2,-0.3 3,-0.1 7,-0.3 -2,-0.0 -0.840 34.7-128.1 -94.1 116.9 77.5 39.0 24.4 16 16 A P > - 0 0 7 0, 0.0 3,-2.4 0, 0.0 427,-0.1 -0.337 35.7 -88.7 -62.3 150.1 76.3 35.7 23.2 17 17 A E T 3 S+ 0 0 94 425,-0.3 3,-0.1 1,-0.3 429,-0.0 -0.322 118.9 23.0 -56.0 131.1 72.6 34.8 23.9 18 18 A G T 3 S+ 0 0 44 1,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.147 111.0 92.2 93.3 -19.5 72.4 33.1 27.3 19 19 A D < - 0 0 69 -3,-2.4 -1,-0.4 1,-0.1 -4,-0.1 -0.417 59.1-156.7 -95.6 174.8 75.7 34.7 28.5 20 20 A T S S+ 0 0 119 -2,-0.1 -1,-0.1 -3,-0.1 -5,-0.1 0.585 72.3 70.1-123.0 -28.7 76.3 38.0 30.3 21 21 A L S S- 0 0 108 1,-0.1 -1,-0.1 -7,-0.0 -7,-0.1 -0.740 83.3-112.7 -95.7 143.2 80.0 38.8 29.3 22 22 A P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -7,-0.3 -0.360 28.2-164.8 -69.1 148.4 81.1 39.9 25.9 23 23 A R E -B 14 0B 43 -9,-3.2 -9,-2.2 -11,-0.1 2,-0.4 -0.941 29.1-104.9-121.5 156.9 83.3 37.7 23.6 24 24 A Y E +BC 13 33B 49 9,-0.9 9,-3.6 -2,-0.3 2,-0.3 -0.640 45.9 179.7 -76.6 128.6 85.2 38.6 20.5 25 25 A I E -BC 12 32B 0 -13,-2.7 -13,-2.6 -2,-0.4 7,-0.2 -0.981 25.2-135.2-130.6 148.5 83.3 37.2 17.5 26 26 A C E >> - C 0 31B 0 5,-2.8 4,-2.0 -2,-0.3 5,-0.9 -0.909 8.0-165.8-100.3 115.2 84.1 37.4 13.8 27 27 A P T 45S+ 0 0 26 0, 0.0 452,-0.2 0, 0.0 -1,-0.1 0.707 86.4 58.6 -72.2 -16.1 81.2 38.3 11.5 28 28 A K T 45S+ 0 0 151 -18,-0.2 -17,-0.0 1,-0.1 -2,-0.0 0.924 124.2 17.6 -80.2 -47.0 83.0 37.1 8.4 29 29 A C T 45S- 0 0 47 2,-0.1 459,-0.2 460,-0.1 -1,-0.1 0.535 101.5-127.5-105.2 -3.2 83.6 33.5 9.4 30 30 A H T <5 + 0 0 21 -4,-2.0 458,-0.4 1,-0.2 2,-0.3 0.905 59.4 134.3 65.9 49.3 81.0 33.4 12.3 31 31 A T E < -C 26 0B 48 -5,-0.9 -5,-2.8 449,-0.2 2,-0.4 -0.897 52.3-126.6-129.6 155.7 83.2 32.2 15.0 32 32 A I E -C 25 0B 31 -2,-0.3 2,-0.7 -7,-0.2 -7,-0.3 -0.845 16.6-144.1-101.3 139.1 83.7 33.1 18.7 33 33 A H E -C 24 0B 23 -9,-3.6 -9,-0.9 -2,-0.4 2,-0.4 -0.918 15.2-158.5-109.8 107.9 87.2 33.9 19.9 34 34 A Y - 0 0 124 -2,-0.7 2,-0.4 -11,-0.1 -11,-0.1 -0.712 0.7-155.0 -86.6 132.0 87.7 32.7 23.5 35 35 A Q - 0 0 94 -2,-0.4 217,-0.4 217,-0.0 -2,-0.0 -0.883 15.8-167.4-107.1 141.2 90.5 34.2 25.6 36 36 A N - 0 0 30 -2,-0.4 215,-0.1 215,-0.1 216,-0.0 -0.936 24.1 -94.7-132.9 150.5 91.9 32.2 28.4 37 37 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 180,-0.4 -0.217 38.2-131.3 -62.2 157.2 94.2 32.7 31.5 38 38 A K E -d 110 0C 82 71,-2.0 73,-1.9 178,-0.1 2,-0.3 -0.880 9.2-134.0-117.6 137.2 97.9 32.0 31.3 39 39 A V E -d 111 0C 4 -2,-0.4 33,-1.9 176,-0.3 2,-0.5 -0.716 10.4-163.4 -91.1 144.1 100.0 29.9 33.6 40 40 A I E -dE 112 71C 9 71,-2.4 73,-1.8 -2,-0.3 2,-0.4 -0.992 13.0-164.1-124.8 121.3 103.4 31.1 34.9 41 41 A V E +dE 113 70C 0 29,-2.9 29,-2.3 -2,-0.5 2,-0.3 -0.894 21.8 141.5-111.1 143.5 105.5 28.2 36.3 42 42 A G E -dE 114 69C 0 71,-2.0 73,-2.1 -2,-0.4 2,-0.3 -0.924 26.7-136.3-161.5-174.4 108.5 28.7 38.5 43 43 A C E -d 115 0C 0 25,-2.0 73,-0.2 -2,-0.3 56,-0.0 -0.976 21.3-118.2-154.7 170.8 110.4 27.5 41.5 44 44 A I E -d 116 0C 0 71,-2.5 73,-1.8 -2,-0.3 2,-0.5 -0.869 34.1-154.0-110.3 89.7 112.3 28.0 44.7 45 45 A P E -d 117 0C 0 0, 0.0 7,-2.0 0, 0.0 2,-0.4 -0.545 14.8-160.0 -72.0 119.2 115.8 26.6 44.0 46 46 A E E +dF 118 51C 27 71,-2.2 73,-2.4 -2,-0.5 2,-0.4 -0.856 20.3 175.4-107.4 135.5 117.3 25.5 47.3 47 47 A W E > S- F 0 50C 63 3,-2.5 3,-2.6 -2,-0.4 2,-0.1 -0.969 70.3 -48.2-135.3 117.8 121.0 25.0 48.2 48 48 A E T 3 S- 0 0 155 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.381 123.9 -25.0 51.8-120.6 121.7 24.2 51.8 49 49 A N T 3 S+ 0 0 129 -2,-0.1 89,-0.4 -3,-0.1 -1,-0.3 0.456 123.8 90.4 -99.1 10.1 119.7 26.8 53.7 50 50 A K E < -F 47 0C 80 -3,-2.6 -3,-2.5 87,-0.1 2,-0.3 -0.570 59.1-147.5-106.1 161.7 119.7 29.4 50.8 51 51 A V E -FG 46 136C 0 85,-2.4 85,-2.7 -5,-0.2 2,-0.5 -0.954 21.0-118.3-127.1 145.4 117.5 30.1 47.8 52 52 A L E + G 0 135C 0 -7,-2.0 2,-0.3 -2,-0.3 83,-0.2 -0.711 33.4 179.8 -85.8 125.9 118.3 31.4 44.4 53 53 A L E - G 0 134C 1 81,-2.5 81,-2.0 -2,-0.5 2,-0.4 -0.916 15.3-142.0-123.1 154.9 116.9 34.7 43.4 54 54 A C E -HG 66 133C 0 12,-3.5 12,-2.5 -2,-0.3 2,-0.5 -0.944 9.6-134.8-121.2 137.6 117.3 36.7 40.1 55 55 A K E -HG 65 132C 52 77,-3.1 76,-2.6 -2,-0.4 77,-0.7 -0.791 34.3-117.1 -93.1 127.9 117.6 40.4 39.6 56 56 A R E - G 0 130C 46 8,-2.6 7,-3.1 -2,-0.5 74,-0.2 -0.436 29.0-177.8 -78.4 129.0 115.4 41.6 36.8 57 57 A A S S+ 0 0 21 72,-3.2 2,-0.4 -2,-0.2 73,-0.2 0.657 70.1 58.4 -89.5 -22.4 117.0 43.1 33.6 58 58 A I S S- 0 0 99 71,-0.7 -1,-0.1 2,-0.1 73,-0.0 -0.942 91.3 -75.3-125.0 128.3 113.7 43.8 31.9 59 59 A A S S+ 0 0 70 -2,-0.4 2,-0.1 2,-0.1 -2,-0.1 -0.145 91.9 71.1 -56.6 152.2 110.8 46.0 33.0 60 60 A P S S- 0 0 73 0, 0.0 -2,-0.1 0, 0.0 4,-0.1 0.499 131.1 -8.7 -75.8 155.7 108.5 46.0 34.8 61 61 A Y S > S- 0 0 140 1,-0.2 3,-1.6 -2,-0.1 -5,-0.3 0.885 79.8-178.0 56.9 47.8 110.6 46.3 38.0 62 62 A R T 3 S+ 0 0 142 1,-0.2 -5,-0.2 -5,-0.2 -1,-0.2 -0.498 72.7 40.4 -70.2 149.7 114.0 45.9 36.5 63 63 A G T 3 S+ 0 0 20 -7,-3.1 2,-0.3 1,-0.3 -1,-0.2 0.309 99.1 112.1 87.7 -5.6 116.6 46.0 39.3 64 64 A K < - 0 0 74 -3,-1.6 -8,-2.6 -8,-0.2 -1,-0.3 -0.735 67.5-112.9-106.6 154.4 114.2 43.9 41.4 65 65 A W E +Hi 55 146C 16 80,-2.3 82,-2.3 -2,-0.3 83,-0.4 -0.531 38.7 156.6 -91.4 142.1 114.4 40.4 42.7 66 66 A T E -H 54 0C 6 -12,-2.5 -12,-3.5 -2,-0.2 3,-0.0 -0.909 39.6-102.4-148.9 174.6 112.3 37.5 41.8 67 67 A L - 0 0 0 -2,-0.3 -14,-0.1 -14,-0.2 2,-0.1 -0.704 55.8 -84.2 -95.2 154.9 112.3 33.7 41.6 68 68 A P S S+ 0 0 0 0, 0.0 -25,-2.0 0, 0.0 2,-0.3 -0.446 74.4 139.0 -63.1 131.6 112.9 31.9 38.4 69 69 A A E +E 42 0C 14 16,-0.3 2,-0.3 -27,-0.3 -27,-0.3 -0.953 17.0 152.2-173.8 146.9 109.5 31.9 36.7 70 70 A G E -E 41 0C 12 -29,-2.3 -29,-2.9 -2,-0.3 2,-0.1 -0.975 49.2 -54.0-175.2 172.0 107.9 32.3 33.3 71 71 A F E -E 40 0C 87 -2,-0.3 -31,-0.3 -31,-0.3 2,-0.1 -0.388 55.1-119.0 -64.3 126.9 105.0 31.4 31.0 72 72 A X - 0 0 3 -33,-1.9 2,-0.2 -2,-0.1 -33,-0.1 -0.443 31.6-137.9 -57.8 144.0 104.4 27.8 30.5 73 73 A E > - 0 0 46 4,-0.2 3,-0.7 141,-0.2 141,-0.1 -0.583 20.5 -92.4-102.2 162.7 104.8 26.6 26.9 74 74 A N T 3 S+ 0 0 54 139,-0.5 -1,-0.1 1,-0.2 211,-0.1 -0.299 106.7 27.8 -63.2 157.4 102.8 24.2 24.8 75 75 A N T 3 S+ 0 0 112 209,-0.8 2,-0.3 208,-0.2 -1,-0.2 0.736 101.7 101.0 55.0 33.4 104.0 20.6 24.7 76 76 A E < - 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