==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAY-10 3N77 . COMPND 2 MOLECULE: NUCLEOSIDE TRIPHOSPHATASE NUDI; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR J.FRYDRYSIAK,D.R.COOPER,U.DEREWENDA,W.F.ANDERSON,Z.S.DEREWEN . 282 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 24.8 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 27 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 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 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 6 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 195 0, 0.0 2,-0.2 0, 0.0 88,-0.2 0.000 360.0 360.0 360.0 74.5 -8.2 30.4 51.1 2 2 A R E -a 89 0A 105 86,-1.6 88,-2.9 2,-0.0 2,-0.4 -0.648 360.0-133.2-112.7 166.8 -7.0 26.8 51.0 3 3 A Q E -a 90 0A 91 -2,-0.2 2,-0.4 86,-0.2 88,-0.2 -0.953 18.5-179.1-136.7 134.2 -5.2 25.1 48.1 4 4 A R E -a 91 0A 87 86,-2.5 88,-2.6 -2,-0.4 2,-0.5 -1.000 12.8-155.7-137.2 133.3 -5.4 21.8 46.1 5 5 A T E -a 92 0A 51 -2,-0.4 35,-0.6 86,-0.2 2,-0.4 -0.961 16.7-168.5-105.4 125.6 -3.3 20.4 43.2 6 6 A I E -aB 93 39A 36 86,-3.0 88,-3.0 -2,-0.5 2,-0.5 -0.937 13.4-150.9-117.3 131.7 -5.1 17.8 41.0 7 7 A V E -aB 94 38A 0 31,-2.9 31,-1.6 -2,-0.4 88,-0.2 -0.904 21.6-172.8 -99.8 128.2 -3.5 15.5 38.4 8 8 A C E -a 95 0A 9 86,-2.6 88,-2.7 -2,-0.5 2,-0.4 -0.995 12.4-150.6-129.3 123.2 -6.0 14.7 35.6 9 9 A P E -a 96 0A 3 0, 0.0 2,-0.8 0, 0.0 27,-0.4 -0.797 5.4-153.2 -95.0 136.6 -5.5 12.3 32.7 10 10 A L E -a 97 0A 1 86,-2.7 88,-2.7 -2,-0.4 2,-0.5 -0.905 25.6-161.1-103.4 98.9 -7.2 12.8 29.4 11 11 A I E +a 98 0A 3 -2,-0.8 7,-2.7 7,-0.3 2,-0.3 -0.766 13.2 177.4 -95.7 126.4 -7.3 9.1 28.3 12 12 A Q E +aC 99 17A 60 86,-2.0 88,-2.6 -2,-0.5 2,-0.3 -0.954 10.6 175.9-127.6 142.1 -7.9 8.3 24.6 13 13 A N E > S- C 0 16A 19 3,-2.4 3,-2.1 -2,-0.3 88,-0.1 -0.953 74.4 -12.4-144.7 125.3 -8.0 5.0 22.7 14 14 A D T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 87,-0.0 0.854 129.1 -51.0 57.6 37.8 -8.8 4.7 19.0 15 15 A G T 3 S+ 0 0 34 1,-0.2 2,-0.3 103,-0.1 -1,-0.3 0.283 116.5 107.3 86.7 -9.5 -10.0 8.3 18.7 16 16 A C E < -C 13 0A 26 -3,-2.1 -3,-2.4 102,-0.2 2,-0.4 -0.803 60.0-135.9-104.7 151.4 -12.4 8.1 21.7 17 17 A Y E -CD 12 117A 23 100,-2.7 100,-3.0 -2,-0.3 2,-0.4 -0.811 18.8-120.7-108.2 139.0 -12.1 9.7 25.2 18 18 A L E + D 0 116A 7 -7,-2.7 2,-0.4 -2,-0.4 -7,-0.3 -0.596 31.4 179.6 -79.8 125.6 -12.8 7.9 28.4 19 19 A L E - D 0 115A 0 96,-2.7 96,-2.5 -2,-0.4 2,-0.4 -0.984 11.4-154.9-120.6 143.7 -15.5 9.6 30.6 20 20 A C E -ED 34 114A 1 14,-2.7 14,-3.1 -2,-0.4 2,-0.6 -0.940 14.0-131.6-119.0 139.3 -16.6 8.2 34.0 21 21 A K E -ED 33 113A 54 92,-2.5 91,-3.1 -2,-0.4 92,-1.0 -0.808 29.2-121.8 -93.4 116.6 -20.0 8.8 35.6 22 22 A M E - D 0 111A 37 10,-3.1 89,-0.3 -2,-0.6 88,-0.1 -0.274 33.1 -97.0 -61.5 144.1 -19.7 9.9 39.2 23 23 A A > - 0 0 3 87,-2.5 3,-1.9 1,-0.1 8,-1.0 -0.156 40.9-102.2 -60.6 154.7 -21.4 7.8 41.9 24 24 A D T 3 S+ 0 0 96 1,-0.3 -1,-0.1 6,-0.2 -2,-0.1 0.530 119.7 44.2 -66.4 -7.2 -24.9 9.0 43.0 25 25 A N T 3 S+ 0 0 145 4,-0.1 2,-0.4 5,-0.0 -1,-0.3 -0.014 96.5 94.3-122.8 32.7 -23.7 10.5 46.3 26 26 A R S < >S+ 0 0 17 -3,-1.9 5,-0.5 84,-0.1 6,-0.3 -0.973 74.3 14.5-120.4 138.5 -20.5 12.2 44.9 27 27 A G T 5S- 0 0 53 -2,-0.4 101,-0.0 3,-0.1 4,-0.0 -0.117 92.2 -80.2 93.0 168.5 -20.3 15.9 43.7 28 28 A V T 5S+ 0 0 109 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.885 130.1 36.7 -70.9 -38.0 -22.6 18.8 44.3 29 29 A F T > 5S- 0 0 140 -3,-0.0 3,-0.8 -4,-0.0 -1,-0.3 -0.975 98.5-130.2-113.2 119.3 -24.8 17.3 41.4 30 30 A P T 3 5S+ 0 0 74 0, 0.0 -6,-0.2 0, 0.0 -3,-0.1 -0.359 80.0 22.0 -73.9 146.2 -24.8 13.6 41.5 31 31 A G T 3 - 0 0 28 -2,-0.5 3,-1.9 4,-0.2 8,-0.1 -0.438 30.6 -89.7 -80.0 154.8 0.9 13.0 48.0 42 42 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.409 116.8 27.7 -57.3 139.5 4.0 14.4 49.9 43 43 A G T 3 S+ 0 0 90 1,-0.2 2,-0.4 -3,-0.1 -2,-0.0 0.390 101.4 104.7 86.7 -2.0 7.0 12.4 48.6 44 44 A E < - 0 0 37 -3,-1.9 -1,-0.2 4,-0.0 2,-0.1 -0.914 66.6-125.7-118.8 143.8 5.6 11.6 45.2 45 45 A R > - 0 0 183 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.440 33.5-112.8 -70.0 152.0 6.3 12.9 41.7 46 46 A I H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.871 117.8 49.9 -58.9 -39.2 3.3 14.2 39.8 47 47 A E H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.855 108.9 52.9 -69.3 -35.3 3.5 11.3 37.1 48 48 A E H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.926 109.8 49.0 -59.3 -46.5 3.8 8.8 40.0 49 49 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.925 111.5 50.5 -58.2 -46.4 0.6 10.3 41.5 50 50 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.930 111.2 45.7 -58.3 -50.8 -1.1 10.1 38.1 51 51 A R H X S+ 0 0 79 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.885 112.9 50.9 -66.4 -36.3 -0.3 6.4 37.4 52 52 A R H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.933 110.5 48.8 -63.0 -46.0 -1.3 5.4 40.9 53 53 A E H X S+ 0 0 18 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.869 108.9 54.2 -65.8 -34.0 -4.7 7.2 40.6 54 54 A I H X>S+ 0 0 6 -4,-2.2 4,-2.9 -5,-0.2 5,-0.6 0.952 110.3 45.7 -61.2 -50.7 -5.3 5.5 37.2 55 55 A R H X5S+ 0 0 74 -4,-2.0 4,-1.3 3,-0.2 -2,-0.2 0.897 116.1 46.8 -57.7 -44.2 -4.7 2.1 38.7 56 56 A E H <5S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.925 123.4 30.8 -64.6 -49.1 -6.9 2.8 41.7 57 57 A E H <5S+ 0 0 1 -4,-2.7 51,-1.6 -5,-0.2 -2,-0.2 0.771 134.7 24.4 -84.2 -31.9 -9.8 4.3 39.8 58 58 A L H <5S- 0 0 0 -4,-2.9 48,-2.4 -5,-0.3 -3,-0.2 0.460 108.1-114.2-119.2 -4.8 -9.7 2.5 36.5 59 59 A G ><< - 0 0 10 -4,-1.3 3,-0.6 -5,-0.6 -1,-0.2 -0.030 25.8 -80.9 94.8 169.1 -7.9 -0.8 37.4 60 60 A E T 3 S+ 0 0 94 1,-0.2 -1,-0.1 -4,-0.1 -5,-0.1 0.628 113.5 71.0 -85.0 -13.7 -4.7 -2.6 36.7 61 61 A Q T 3 S+ 0 0 122 -3,-0.2 2,-0.6 -6,-0.1 43,-0.3 0.684 72.7 97.0 -78.2 -19.5 -5.8 -4.0 33.3 62 62 A L < - 0 0 12 -3,-0.6 2,-0.6 -4,-0.1 -4,-0.1 -0.637 65.2-156.9 -72.5 118.7 -5.8 -0.6 31.5 63 63 A I - 0 0 94 -2,-0.6 38,-3.1 2,-0.0 39,-0.6 -0.858 3.2-146.3-105.2 119.4 -2.4 -0.4 29.8 64 64 A L E -G 100 0A 32 -2,-0.6 36,-0.3 36,-0.3 3,-0.1 -0.710 9.7-164.1 -86.5 132.4 -1.0 3.0 29.0 65 65 A S E S- 0 0 85 34,-2.6 2,-0.3 -2,-0.4 35,-0.2 0.899 74.4 -24.4 -77.2 -48.5 1.0 3.5 25.8 66 66 A D E -G 99 0A 100 33,-1.2 33,-2.1 2,-0.0 2,-0.4 -0.988 50.7-146.7-161.4 163.7 2.3 6.8 27.0 67 67 A I E +G 98 0A 10 -2,-0.3 31,-0.2 31,-0.2 -20,-0.0 -0.997 20.0 179.9-131.8 129.8 1.6 9.8 29.3 68 68 A T E -G 97 0A 77 29,-2.6 29,-3.3 -2,-0.4 -2,-0.0 -0.987 32.4-114.4-133.5 129.9 2.7 13.3 28.4 69 69 A P E +G 96 0A 93 0, 0.0 27,-0.3 0, 0.0 3,-0.1 -0.325 36.5 175.3 -52.7 135.3 2.2 16.5 30.3 70 70 A W E - 0 0 75 25,-2.7 2,-0.3 1,-0.4 26,-0.2 0.695 45.4 -50.5-107.7 -80.2 -0.1 18.8 28.4 71 71 A T E -G 95 0A 54 24,-0.8 24,-2.8 2,-0.0 -1,-0.4 -0.863 42.7-120.6-151.2-179.0 -1.0 22.0 30.2 72 72 A F E +G 94 0A 143 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.900 22.4 174.3-127.9 161.3 -2.3 23.4 33.5 73 73 A R E -G 93 0A 27 20,-1.8 20,-2.9 -2,-0.3 2,-0.3 -0.958 15.3-139.8-155.7 169.4 -5.2 25.6 34.5 74 74 A D E +G 92 0A 81 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.881 14.5 177.2-133.8 166.9 -6.8 26.9 37.7 75 75 A D E -G 91 0A 45 16,-2.1 16,-3.1 -2,-0.3 2,-0.5 -0.966 23.8-131.2-160.0 153.1 -10.2 27.5 39.3 76 76 A I E -G 90 0A 97 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.972 21.4-166.0-108.2 128.1 -11.8 28.7 42.6 77 77 A R E -G 89 0A 123 12,-3.0 12,-3.4 -2,-0.5 2,-0.5 -0.933 10.7-143.0-106.9 141.6 -14.5 26.6 44.1 78 78 A I E -G 88 0A 91 -2,-0.4 2,-0.5 10,-0.2 10,-0.2 -0.887 5.6-158.5-105.3 130.3 -16.7 28.0 46.9 79 79 A K E -G 87 0A 74 8,-2.9 8,-2.3 -2,-0.5 2,-0.5 -0.944 11.6-156.3-102.0 124.2 -17.9 25.8 49.7 80 80 A T E -G 86 0A 83 -2,-0.5 6,-0.2 6,-0.2 5,-0.1 -0.936 9.2-145.7-106.6 124.0 -21.0 27.2 51.4 81 81 A Y > - 0 0 118 4,-3.7 3,-1.9 -2,-0.5 6,-0.0 -0.191 33.7 -89.8 -83.6 175.3 -21.6 26.2 55.0 82 82 A A T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.799 126.1 46.2 -58.1 -36.5 -25.0 25.6 56.7 83 83 A D T 3 S- 0 0 96 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.202 123.8 -97.8 -94.3 13.4 -25.4 29.3 57.8 84 84 A G S < S+ 0 0 48 -3,-1.9 -2,-0.1 1,-0.3 2,-0.0 0.289 78.9 139.3 88.9 -8.9 -24.4 30.8 54.4 85 85 A R - 0 0 181 -5,-0.1 -4,-3.7 1,-0.1 -1,-0.3 -0.347 38.8-149.2 -65.2 149.1 -20.8 31.4 55.4 86 86 A Q E - G 0 80A 126 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.881 19.4-165.3-126.4 153.5 -18.3 30.6 52.6 87 87 A E E - G 0 79A 48 -8,-2.3 -8,-2.9 -2,-0.3 2,-0.4 -0.997 19.9-135.5-132.6 139.3 -14.8 29.4 52.1 88 88 A E E - G 0 78A 100 -2,-0.4 -86,-1.6 -10,-0.2 2,-0.5 -0.796 12.2-161.6 -92.4 135.6 -12.8 29.6 48.8 89 89 A I E -aG 2 77A 4 -12,-3.4 -12,-3.0 -2,-0.4 2,-0.6 -0.988 10.5-148.0-116.0 119.1 -10.8 26.5 47.6 90 90 A Y E -aG 3 76A 89 -88,-2.9 -86,-2.5 -2,-0.5 2,-0.4 -0.832 16.4-164.2 -94.0 116.4 -8.1 27.3 45.0 91 91 A M E -aG 4 75A 9 -16,-3.1 -16,-2.1 -2,-0.6 2,-0.5 -0.887 12.3-167.8-108.2 130.4 -7.6 24.4 42.6 92 92 A I E -aG 5 74A 50 -88,-2.6 -86,-3.0 -2,-0.4 2,-0.5 -0.980 13.7-157.0-111.3 130.0 -4.6 23.9 40.2 93 93 A Y E -aG 6 73A 21 -20,-2.9 -20,-1.8 -2,-0.5 2,-0.6 -0.921 7.9-162.1-109.7 128.6 -5.1 21.2 37.6 94 94 A L E -aG 7 72A 42 -88,-3.0 -86,-2.6 -2,-0.5 2,-0.5 -0.958 17.6-159.2-109.8 112.0 -2.2 19.5 35.9 95 95 A I E -aG 8 71A 3 -24,-2.8 -25,-2.7 -2,-0.6 -24,-0.8 -0.805 7.0-166.8-105.3 126.0 -3.5 17.8 32.8 96 96 A F E -aG 9 69A 5 -88,-2.7 -86,-2.7 -2,-0.5 2,-0.5 -0.899 20.5-131.1-108.9 140.2 -1.8 14.9 31.0 97 97 A D E -aG 10 68A 40 -29,-3.3 -29,-2.6 -2,-0.4 2,-0.4 -0.812 33.0-174.6 -84.4 124.7 -2.4 13.5 27.5 98 98 A C E -aG 11 67A 1 -88,-2.7 -86,-2.0 -2,-0.5 2,-0.5 -0.983 16.0-163.0-125.0 128.7 -2.7 9.7 27.9 99 99 A V E -aG 12 66A 68 -33,-2.1 -34,-2.6 -2,-0.4 -33,-1.2 -0.970 13.2-154.2-105.3 125.9 -3.0 7.2 25.2 100 100 A S E - 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