==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUN-11 3ZR0 . COMPND 2 MOLECULE: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.SVENSSON,A.JEMTH,M.DESROSES,O.LOSEVA,T.HELLEDAY,M.HOGBOM . 305 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 26.2 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 31 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 11.5 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+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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 0 0 2 0 2 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 . 3 4 1 1 1 0 3 1 1 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 . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 3 A A 0 0 124 0, 0.0 77,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.7 -4.0 8.0 -17.2 2 4 A S E -a 78 0A 65 75,-0.2 2,-0.4 78,-0.0 77,-0.2 -0.876 360.0-124.9-147.9 166.1 -3.9 4.4 -16.3 3 5 A R E -a 79 0A 86 75,-1.7 77,-2.9 -2,-0.3 2,-0.3 -0.991 29.0-120.3-127.4 131.6 -6.3 1.5 -16.0 4 6 A L E +a 80 0A 61 -2,-0.4 33,-2.1 33,-0.2 2,-0.3 -0.630 35.5 170.4 -78.4 129.6 -6.5 -0.6 -12.8 5 7 A Y E -aB 81 36A 44 75,-2.5 77,-3.3 -2,-0.3 2,-0.3 -0.878 19.1-141.1-129.6 160.2 -5.7 -4.3 -12.8 6 8 A T E -a 82 0A 5 29,-2.2 29,-0.4 -2,-0.3 2,-0.3 -0.899 9.9-170.6-119.0 157.5 -5.3 -6.9 -10.2 7 9 A L E -a 83 0A 14 75,-2.1 77,-2.8 -2,-0.3 2,-0.5 -0.964 8.2-163.7-147.6 130.4 -3.0 -9.8 -9.7 8 10 A V E -aC 84 33A 0 25,-2.6 25,-2.2 -2,-0.3 2,-0.5 -0.969 3.6-168.8-123.7 123.1 -3.3 -12.4 -7.0 9 11 A L E -a 85 0A 0 75,-2.4 77,-1.9 -2,-0.5 2,-0.9 -0.968 12.9-152.6-109.7 121.0 -0.7 -14.9 -5.9 10 12 A V E -aD 86 17A 0 7,-0.6 7,-2.1 -2,-0.5 2,-0.6 -0.835 25.0-179.2 -89.3 102.4 -1.6 -17.8 -3.6 11 13 A L E + D 0 16A 21 75,-2.4 5,-0.2 -2,-0.9 -2,-0.1 -0.959 5.2 180.0-115.8 115.4 1.7 -18.3 -1.9 12 14 A Q E > - D 0 15A 35 3,-3.1 3,-1.0 -2,-0.6 76,-0.0 -0.567 49.4 -87.2-109.0 169.4 1.9 -21.1 0.7 13 15 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 93,-0.0 0.792 123.4 15.1 -55.4 -35.1 5.0 -22.0 2.6 14 16 A Q T 3 S+ 0 0 145 1,-0.1 92,-0.6 91,-0.0 2,-0.3 0.154 126.6 35.7-122.5 17.4 6.5 -24.4 -0.0 15 17 A R E < -DE 12 105A 91 -3,-1.0 -3,-3.1 90,-0.2 2,-0.3 -0.996 54.3-148.7-168.0 159.4 4.4 -23.6 -3.2 16 18 A V E -DE 11 104A 0 88,-2.0 88,-3.0 -2,-0.3 2,-0.5 -0.966 22.3-127.0-138.9 141.7 2.7 -21.0 -5.2 17 19 A L E +DE 10 103A 0 -7,-2.1 -7,-0.6 -2,-0.3 2,-0.3 -0.831 32.1 172.3 -96.0 121.4 -0.4 -21.4 -7.4 18 20 A L E - E 0 102A 0 84,-2.8 84,-2.6 -2,-0.5 2,-0.4 -0.919 19.1-144.8-123.3 158.6 -0.1 -20.2 -11.0 19 21 A G E -FE 31 101A 0 12,-3.0 12,-1.9 -2,-0.3 2,-0.7 -0.962 16.8-128.0-119.8 140.6 -2.5 -20.5 -14.0 20 22 A M E -FE 30 100A 27 80,-2.3 80,-1.8 -2,-0.4 2,-0.4 -0.836 32.1-127.1 -82.7 119.5 -1.6 -21.0 -17.6 21 23 A K E - E 0 99A 32 8,-2.1 7,-2.9 -2,-0.7 78,-0.2 -0.571 24.6-169.6 -76.4 125.6 -3.4 -18.2 -19.4 22 24 A K + 0 0 87 76,-3.0 2,-0.3 -2,-0.4 -1,-0.1 0.651 61.3 0.8 -97.3 -17.4 -5.4 -19.9 -22.2 23 25 A R S S+ 0 0 143 75,-0.5 -1,-0.2 2,-0.2 5,-0.1 -0.954 101.3 26.6-160.5 166.4 -6.7 -17.0 -24.2 24 26 A G S > S+ 0 0 61 -2,-0.3 3,-1.9 2,-0.1 -3,-0.0 -0.243 102.1 9.2 74.5-157.7 -6.4 -13.2 -24.3 25 27 A F T 3 S+ 0 0 88 1,-0.3 -2,-0.2 2,-0.0 -4,-0.0 -0.281 136.0 8.9 -63.0 127.9 -3.7 -10.9 -23.0 26 28 A G T > S+ 0 0 3 1,-0.2 3,-1.9 2,-0.1 -5,-0.4 0.644 86.3 175.2 76.4 15.1 -0.6 -12.9 -21.8 27 29 A A T < + 0 0 50 -3,-1.9 -5,-0.2 1,-0.3 -1,-0.2 -0.301 66.0 28.9 -58.9 133.1 -2.0 -16.2 -23.4 28 30 A G T 3 S+ 0 0 45 -7,-2.9 2,-0.4 1,-0.3 -1,-0.3 0.332 99.4 102.5 96.7 2.0 0.6 -18.9 -23.0 29 31 A R S < S- 0 0 33 -3,-1.9 -8,-2.1 -8,-0.1 -1,-0.3 -0.900 71.0-122.3-114.4 136.5 2.3 -17.5 -19.8 30 32 A W E +F 20 0A 26 83,-2.5 85,-0.5 -2,-0.4 2,-0.3 -0.529 49.0 150.0 -62.9 148.8 1.9 -18.8 -16.3 31 33 A N E -F 19 0A 32 -12,-1.9 -12,-3.0 -2,-0.2 3,-0.1 -0.985 47.1 -86.4-167.1 170.3 0.6 -16.1 -14.0 32 34 A G - 0 0 2 -2,-0.3 2,-0.3 -14,-0.2 -23,-0.2 -0.166 57.7 -90.6 -72.6-179.1 -1.3 -15.2 -11.0 33 35 A F B +C 8 0A 0 -25,-2.2 -25,-2.6 -2,-0.0 2,-0.3 -0.728 68.7 95.6-103.2 147.0 -5.0 -14.6 -11.3 34 36 A G - 0 0 13 -2,-0.3 2,-0.3 16,-0.3 -27,-0.2 -0.990 30.3-176.3 164.4-166.1 -6.6 -11.2 -12.0 35 37 A G - 0 0 17 -29,-0.4 -29,-2.2 -2,-0.3 2,-0.1 -0.960 48.9 -25.6 172.1-166.9 -8.1 -8.8 -14.5 36 38 A K B -B 5 0A 103 -2,-0.3 2,-0.5 -31,-0.2 -31,-0.2 -0.425 57.7-121.2 -69.8 145.5 -9.5 -5.4 -15.0 37 39 A V - 0 0 15 -33,-2.1 -33,-0.2 -2,-0.1 2,-0.1 -0.804 33.1-138.9 -87.2 130.1 -11.2 -3.7 -12.1 38 40 A Q > - 0 0 108 -2,-0.5 3,-1.3 4,-0.2 2,-0.2 -0.423 22.0 -91.4 -86.4 159.6 -14.8 -2.9 -12.9 39 41 A E T 3 S+ 0 0 197 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.453 112.3 28.8 -60.4 134.6 -16.9 0.2 -12.2 40 42 A G T 3 S+ 0 0 89 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.548 104.9 85.4 88.1 9.3 -18.7 -0.3 -8.9 41 43 A E S < S- 0 0 40 -3,-1.3 -1,-0.2 4,-0.0 2,-0.1 -0.991 74.5-116.0-134.6 152.5 -16.2 -2.6 -7.2 42 44 A T > - 0 0 82 -2,-0.3 4,-2.6 1,-0.1 -4,-0.2 -0.287 32.6-108.8 -72.5 168.1 -13.1 -2.0 -5.1 43 45 A I H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.974 121.9 47.9 -60.7 -49.6 -9.7 -3.2 -6.3 44 46 A E H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 111.1 51.1 -63.3 -36.6 -9.6 -5.8 -3.7 45 47 A D H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.885 109.3 50.7 -64.1 -39.9 -13.1 -6.9 -4.6 46 48 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.872 107.9 54.0 -62.7 -35.6 -12.1 -7.1 -8.2 47 49 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.939 112.3 43.3 -66.1 -44.4 -9.1 -9.3 -7.1 48 50 A R H X S+ 0 0 67 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.908 111.8 53.8 -66.3 -45.0 -11.4 -11.7 -5.4 49 51 A R H X S+ 0 0 44 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.928 112.1 44.6 -51.0 -46.9 -13.8 -11.7 -8.2 50 52 A E H X S+ 0 0 16 -4,-2.3 4,-2.6 2,-0.2 -16,-0.3 0.877 109.2 54.8 -72.0 -39.8 -11.1 -12.6 -10.6 51 53 A L H X>S+ 0 0 0 -4,-2.6 4,-2.0 -18,-0.2 6,-0.7 0.949 113.1 44.3 -54.3 -44.7 -9.6 -15.2 -8.4 52 54 A Q H X5S+ 0 0 100 -4,-2.5 4,-1.9 4,-0.2 -2,-0.2 0.936 114.6 47.9 -68.0 -44.5 -13.1 -16.8 -8.3 53 55 A E H <5S+ 0 0 89 -4,-2.9 44,-0.2 1,-0.2 45,-0.2 0.878 120.3 37.3 -63.9 -38.0 -13.8 -16.5 -12.0 54 56 A E H <5S+ 0 0 4 -4,-2.6 42,-0.4 -5,-0.2 45,-0.3 0.717 137.5 10.8 -89.6 -18.9 -10.4 -17.9 -13.1 55 57 A S H <5S- 0 0 1 -4,-2.0 39,-2.2 -5,-0.2 -3,-0.2 0.447 88.0-120.1-138.5 -15.2 -9.8 -20.6 -10.4 56 58 A G S < - h 0 137A 9 -2,-0.5 3,-2.7 3,-0.3 66,-0.2 -0.976 35.0-109.9-108.8 121.2 3.4 -0.6 -23.6 73 75 A V T 3 S+ 0 0 68 64,-2.8 66,-0.2 -2,-0.6 63,-0.0 -0.194 101.3 12.7 -53.4 131.2 4.9 1.4 -26.4 74 76 A G T 3 S+ 0 0 80 1,-0.2 -1,-0.3 2,-0.1 64,-0.1 0.281 100.8 110.8 86.0 -7.6 2.2 3.0 -28.6 75 77 A E < - 0 0 101 -3,-2.7 -3,-0.3 1,-0.1 -1,-0.2 -0.880 60.2-148.8-100.2 128.3 -0.6 2.2 -26.1 76 78 A P S S+ 0 0 132 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.814 73.3 68.1 -69.3 -35.1 -2.1 5.3 -24.4 77 79 A E S S- 0 0 99 -75,-0.0 -5,-0.3 -6,-0.0 -75,-0.2 -0.729 71.9-141.7 -89.6 132.9 -3.1 3.8 -21.1 78 80 A L E -a 2 0A 59 -77,-2.2 -75,-1.7 -2,-0.5 2,-0.6 -0.511 22.7-124.1 -77.6 153.7 -0.6 2.6 -18.6 79 81 A M E -aG 3 70A 16 -9,-2.3 -9,-2.7 -77,-0.2 2,-0.8 -0.950 18.4-160.1-103.8 127.8 -1.6 -0.5 -16.7 80 82 A D E -aG 4 69A 21 -77,-2.9 -75,-2.5 -2,-0.6 2,-0.6 -0.892 11.9-165.9-113.7 97.9 -1.6 -0.1 -13.0 81 83 A V E -aG 5 68A 14 -13,-3.0 -13,-1.9 -2,-0.8 2,-0.7 -0.755 8.7-157.1 -91.8 114.4 -1.4 -3.6 -11.6 82 84 A H E -aG 6 67A 39 -77,-3.3 -75,-2.1 -2,-0.6 2,-0.4 -0.854 15.7-152.8 -93.0 119.4 -2.2 -4.0 -7.9 83 85 A V E -aG 7 66A 1 -17,-2.5 -18,-2.5 -2,-0.7 -17,-1.6 -0.755 14.9-178.0 -99.2 133.4 -0.6 -7.3 -6.6 84 86 A F E -aG 8 64A 5 -77,-2.8 -75,-2.4 -2,-0.4 2,-0.3 -0.936 9.4-157.3-125.5 153.3 -2.0 -9.2 -3.7 85 87 A C E +aG 9 63A 16 -22,-2.1 -22,-2.8 -2,-0.3 2,-0.3 -0.909 11.3 175.0-121.4 156.9 -0.9 -12.4 -1.9 86 88 A T E -a 10 0A 3 -77,-1.9 -75,-2.4 -2,-0.3 -24,-0.1 -0.972 25.6-175.4-148.1 159.6 -2.8 -14.8 0.2 87 89 A D S S+ 0 0 89 -2,-0.3 2,-0.2 -77,-0.2 -77,-0.1 -0.032 74.1 87.0-125.3 17.1 -2.0 -18.1 2.0 88 90 A S + 0 0 37 -27,-0.3 -28,-1.5 -76,-0.0 -27,-0.2 -0.291 57.6 166.6-121.5 55.9 -5.7 -18.6 3.0 89 91 A I E -T 59 0B 38 -2,-0.2 2,-0.5 -30,-0.2 -30,-0.2 -0.345 25.3-153.9 -86.9 155.6 -7.5 -20.3 0.3 90 92 A Q E +T 58 0B 91 -32,-2.9 -32,-2.0 -2,-0.1 2,-0.1 -0.981 63.4 7.6-125.0 119.1 -11.0 -21.9 0.3 91 93 A G S S- 0 0 60 -2,-0.5 -34,-0.1 -34,-0.2 -35,-0.1 -0.367 87.7 -74.9 103.2 179.3 -11.6 -24.6 -2.2 92 94 A T - 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