==== 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 3ZR1 . 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) . 15654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 25.9 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 . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.9 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 . 2 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 . 4 3 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 . 1 0 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 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 0 123 0, 0.0 77,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.1 -4.2 8.0 -17.3 2 4 A S E -a 78 0A 66 75,-0.2 2,-0.4 78,-0.0 77,-0.2 -0.838 360.0-132.5-128.6 166.8 -3.9 4.4 -16.1 3 5 A R E -a 79 0A 70 75,-1.8 77,-2.9 -2,-0.3 2,-0.3 -0.979 27.5-115.8-124.3 133.8 -6.3 1.6 -15.9 4 6 A L E +a 80 0A 59 -2,-0.4 33,-2.3 33,-0.2 2,-0.3 -0.570 38.5 168.7 -77.9 128.6 -6.7 -0.5 -12.7 5 7 A Y E -aB 81 36A 40 75,-2.5 77,-2.6 -2,-0.3 2,-0.3 -0.884 19.5-142.7-128.6 165.2 -5.8 -4.2 -12.7 6 8 A T E -aB 82 35A 4 29,-1.9 29,-0.5 -2,-0.3 2,-0.3 -0.915 9.1-170.9-123.7 154.4 -5.3 -6.9 -10.1 7 9 A L E -aB 83 34A 15 75,-2.1 77,-2.8 -2,-0.3 2,-0.5 -0.961 9.3-161.9-144.1 127.7 -2.9 -9.8 -9.7 8 10 A V E -aB 84 33A 0 25,-2.6 25,-2.0 -2,-0.3 2,-0.5 -0.959 2.8-167.0-119.9 124.3 -3.3 -12.5 -7.0 9 11 A L E -a 85 0A 0 75,-2.5 77,-1.8 -2,-0.5 2,-0.9 -0.967 10.9-153.5-109.5 117.8 -0.6 -14.8 -5.9 10 12 A V E -aC 86 17A 0 7,-0.6 7,-2.2 -2,-0.5 2,-0.6 -0.797 25.0-179.8 -87.7 104.6 -1.5 -17.8 -3.8 11 13 A L E + C 0 16A 15 75,-2.4 5,-0.2 -2,-0.9 -2,-0.1 -0.950 6.1 178.8-122.9 112.7 1.8 -18.4 -1.9 12 14 A Q E > - C 0 15A 35 3,-3.2 3,-0.5 -2,-0.6 76,-0.0 -0.460 49.6 -86.3-107.3 173.3 2.0 -21.2 0.5 13 15 A P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 93,-0.0 0.850 122.2 11.9 -54.3 -37.1 5.1 -22.1 2.5 14 16 A Q T 3 S+ 0 0 142 1,-0.1 92,-0.9 91,-0.1 2,-0.3 0.237 125.9 40.1-124.9 16.6 6.6 -24.4 -0.2 15 17 A R E < -CD 12 105A 91 -3,-0.5 -3,-3.2 90,-0.2 2,-0.4 -0.989 55.2-149.9-163.8 152.7 4.5 -23.8 -3.3 16 18 A V E -CD 11 104A 0 88,-2.4 88,-3.0 -2,-0.3 2,-0.5 -0.966 20.5-130.6-131.0 141.1 2.9 -21.1 -5.4 17 19 A L E +CD 10 103A 0 -7,-2.2 -7,-0.6 -2,-0.4 2,-0.3 -0.835 31.3 172.2 -94.2 127.0 -0.2 -21.4 -7.6 18 20 A L E - D 0 102A 0 84,-2.6 84,-2.5 -2,-0.5 2,-0.4 -0.876 20.6-138.3-125.0 165.4 -0.0 -20.0 -11.1 19 21 A G E -ED 31 101A 0 12,-2.8 12,-2.1 -2,-0.3 2,-0.7 -0.991 13.2-130.2-125.8 139.8 -2.3 -20.2 -14.1 20 22 A M E -ED 30 100A 26 80,-2.3 80,-1.7 -2,-0.4 2,-0.3 -0.804 33.0-128.8 -81.9 116.4 -1.6 -20.8 -17.8 21 23 A K E - D 0 99A 31 8,-2.2 7,-2.8 -2,-0.7 78,-0.2 -0.481 24.2-170.0 -72.4 123.1 -3.4 -18.0 -19.6 22 24 A K + 0 0 86 76,-3.9 2,-0.3 -2,-0.3 77,-0.1 0.692 60.1 7.6 -92.4 -20.3 -5.5 -19.7 -22.3 23 25 A R S S+ 0 0 142 75,-0.6 -1,-0.2 2,-0.1 5,-0.1 -0.960 101.9 15.2-159.6 159.8 -6.8 -16.7 -24.3 24 26 A G S > S+ 0 0 64 -2,-0.3 3,-1.8 2,-0.1 2,-0.2 -0.231 103.7 15.1 69.3-145.4 -6.4 -13.0 -24.7 25 27 A F T 3 S+ 0 0 89 1,-0.3 -2,-0.1 -2,-0.0 -4,-0.0 -0.427 134.5 8.0 -77.4 125.6 -3.6 -10.9 -23.2 26 28 A G T > S+ 0 0 2 1,-0.2 3,-1.7 -2,-0.2 -5,-0.4 0.581 85.9 173.6 79.3 15.9 -0.6 -12.9 -22.1 27 29 A A T < + 0 0 53 -3,-1.8 -1,-0.2 1,-0.3 -5,-0.2 -0.284 64.1 28.2 -57.2 134.0 -2.0 -16.2 -23.6 28 30 A G T 3 S+ 0 0 49 -7,-2.8 2,-0.4 1,-0.3 -1,-0.3 0.436 101.4 100.0 90.5 4.1 0.5 -19.0 -23.3 29 31 A R S < S- 0 0 40 -3,-1.7 -8,-2.2 -8,-0.1 -1,-0.3 -0.951 72.3-121.7-115.3 146.7 2.3 -17.7 -20.2 30 32 A W E +Ef 20 114A 26 83,-2.5 85,-0.6 -2,-0.4 2,-0.3 -0.578 47.9 150.2 -74.6 145.7 1.9 -18.7 -16.5 31 33 A N E -E 19 0A 35 -12,-2.1 -12,-2.8 -2,-0.2 3,-0.1 -0.954 47.5 -82.6-160.5 168.1 0.8 -15.8 -14.3 32 34 A G - 0 0 3 -2,-0.3 2,-0.3 -14,-0.2 -23,-0.2 -0.226 58.3 -89.6 -62.1 175.4 -1.1 -14.9 -11.2 33 35 A F E S+B 8 0A 0 -25,-2.0 -25,-2.6 -2,-0.0 2,-0.3 -0.680 72.5 88.4 -96.6 140.6 -4.9 -14.5 -11.4 34 36 A G E +B 7 0A 15 -2,-0.3 2,-0.3 16,-0.3 -27,-0.2 -0.989 30.9 176.8 160.6-170.1 -6.5 -11.2 -12.1 35 37 A G E -B 6 0A 17 -29,-0.5 -29,-1.9 -2,-0.3 15,-0.1 -0.973 50.6 -12.9 168.0-166.6 -7.7 -8.7 -14.6 36 38 A K E -B 5 0A 109 -2,-0.3 2,-0.5 -31,-0.2 -31,-0.2 -0.287 57.6-126.4 -63.1 138.0 -9.5 -5.4 -15.0 37 39 A V - 0 0 10 -33,-2.3 -33,-0.2 -2,-0.0 2,-0.1 -0.784 32.2-141.5 -84.4 135.5 -11.1 -3.8 -12.0 38 40 A Q > - 0 0 104 -2,-0.5 3,-1.2 4,-0.2 2,-0.2 -0.459 21.9 -87.2 -95.9 165.1 -14.7 -3.0 -12.9 39 41 A E T 3 S+ 0 0 198 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.487 112.1 27.1 -66.0 138.0 -16.9 -0.0 -12.0 40 42 A G T 3 S+ 0 0 90 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.550 103.8 88.7 85.8 8.9 -18.7 -0.5 -8.8 41 43 A E S < S- 0 0 40 -3,-1.2 -1,-0.3 4,-0.0 2,-0.1 -0.982 73.9-118.2-130.4 153.4 -16.2 -2.8 -7.1 42 44 A T > - 0 0 82 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.406 34.8-106.2 -77.9 162.9 -13.2 -2.1 -5.0 43 45 A I H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.951 122.6 47.9 -53.7 -47.8 -9.8 -3.1 -6.2 44 46 A E H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.889 110.4 51.6 -62.8 -38.4 -9.7 -5.9 -3.6 45 47 A D H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.886 109.6 50.6 -68.0 -35.0 -13.2 -7.1 -4.5 46 48 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.845 108.3 52.6 -67.0 -36.1 -12.1 -7.2 -8.2 47 49 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.931 112.1 45.3 -67.3 -42.9 -9.0 -9.3 -7.2 48 50 A R H X S+ 0 0 64 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.924 112.3 51.6 -62.3 -43.8 -11.3 -11.8 -5.3 49 51 A R H X S+ 0 0 45 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.934 112.0 46.2 -58.2 -47.0 -13.8 -11.8 -8.3 50 52 A E H X S+ 0 0 15 -4,-2.2 4,-2.3 1,-0.2 -16,-0.3 0.889 110.6 51.7 -68.9 -37.3 -10.9 -12.6 -10.7 51 53 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 -18,-0.2 6,-0.9 0.923 113.7 45.4 -62.9 -40.6 -9.5 -15.2 -8.6 52 54 A Q H X S+ 0 0 94 -4,-2.3 4,-1.7 4,-0.2 -2,-0.2 0.919 114.7 46.9 -69.0 -43.7 -12.9 -16.9 -8.3 53 55 A E H < S+ 0 0 93 -4,-3.0 45,-0.2 1,-0.2 -2,-0.2 0.885 120.8 37.4 -66.8 -37.9 -13.7 -16.6 -12.1 54 56 A E H < S+ 0 0 4 -4,-2.3 42,-0.4 -5,-0.2 45,-0.3 0.668 137.3 11.6 -85.7 -22.9 -10.3 -17.9 -13.1 55 57 A S H < S- 0 0 0 -4,-1.5 39,-2.4 -5,-0.2 -3,-0.2 0.434 89.5-121.5-137.8 -14.1 -9.6 -20.6 -10.5 56 58 A G < + 0 0 34 -4,-1.7 -4,-0.2 -5,-0.4 2,-0.2 0.362 69.1 132.9 79.7 -3.4 -12.9 -21.2 -8.6 57 59 A L - 0 0 1 -6,-0.9 2,-0.3 37,-0.1 -1,-0.3 -0.506 40.0-162.1 -86.5 152.0 -11.1 -20.3 -5.4 58 60 A T E -U 90 0B 65 32,-2.0 32,-2.7 -2,-0.2 2,-0.3 -0.807 10.8-150.5-120.8 164.8 -12.2 -17.9 -2.6 59 61 A V E -U 89 0B 10 -2,-0.3 30,-0.2 30,-0.2 3,-0.1 -0.958 18.1-147.8-134.4 148.4 -10.0 -16.4 0.0 60 62 A D S S+ 0 0 116 28,-0.9 2,-0.4 -2,-0.3 -1,-0.2 0.942 87.4 10.4 -74.6 -55.6 -10.5 -15.3 3.6 61 63 A A - 0 0 33 27,-0.3 2,-0.4 2,-0.0 -1,-0.3 -0.987 60.1-159.8-131.5 133.3 -7.9 -12.5 3.6 62 64 A L - 0 0 15 -2,-0.4 2,-0.4 -3,-0.1 24,-0.2 -0.962 13.2-154.6-107.4 135.7 -5.9 -10.8 0.7 63 65 A H E -G 85 0A 113 22,-2.8 22,-2.7 -2,-0.4 2,-0.5 -0.876 19.2-121.2-108.0 137.1 -2.7 -8.9 1.7 64 66 A K E +G 84 0A 114 -2,-0.4 20,-0.2 20,-0.2 90,-0.2 -0.672 39.0 163.6 -75.3 121.3 -1.3 -6.0 -0.5 65 67 A V E - 0 0 19 18,-2.4 66,-1.5 -2,-0.5 2,-0.3 0.624 54.1 -19.1-115.6 -15.4 2.2 -6.9 -1.6 66 68 A G E -Gh 83 131A 0 17,-1.4 17,-2.6 64,-0.2 2,-0.4 -0.996 40.3-131.6-176.2 168.5 2.9 -4.6 -4.5 67 69 A Q E -Gh 82 132A 44 64,-1.4 66,-2.5 -2,-0.3 2,-0.4 -0.988 22.0-173.3-136.1 130.0 2.0 -2.2 -7.3 68 70 A I E -Gh 81 133A 1 13,-2.3 13,-2.8 -2,-0.4 2,-0.4 -0.999 9.0-156.6-124.6 128.2 3.5 -2.5 -10.7 69 71 A V E -Gh 80 134A 34 64,-2.5 66,-2.5 -2,-0.4 2,-0.5 -0.888 11.8-161.2-102.0 134.7 2.9 0.1 -13.5 70 72 A F E -Gh 79 135A 20 9,-2.4 9,-2.4 -2,-0.4 2,-0.5 -0.969 7.5-166.2-119.4 127.6 3.3 -1.2 -17.1 71 73 A E E - 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