==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JAN-11 3Q93 . COMPND 2 MOLECULE: 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.TRESAUGUES,M.I.SIPONEN,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA . 308 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 26.6 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 29 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 2 6 0 1 0 0 4 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 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 0 109 0, 0.0 77,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 158.6 -3.7 -8.1 17.6 2 4 A S E -a 78 0A 63 75,-0.2 2,-0.4 77,-0.0 77,-0.2 -0.869 360.0-138.2-119.5 154.7 -3.5 -4.5 16.1 3 5 A R E -a 79 0A 111 75,-2.7 77,-3.0 -2,-0.3 2,-0.3 -0.938 26.9-115.9-111.4 138.8 -6.0 -1.7 15.9 4 6 A L E +a 80 0A 65 -2,-0.4 33,-2.1 75,-0.2 2,-0.3 -0.542 38.1 171.1 -77.8 132.7 -6.3 0.4 12.7 5 7 A Y E -aB 81 36A 45 75,-2.3 77,-2.7 -2,-0.3 2,-0.3 -0.914 19.3-140.7-132.7 161.9 -5.5 4.2 12.9 6 8 A T E -aB 82 35A 5 29,-2.2 29,-0.6 -2,-0.3 2,-0.3 -0.884 11.2-173.8-121.0 155.7 -5.1 6.9 10.3 7 9 A L E -aB 83 34A 16 75,-1.7 77,-3.1 -2,-0.3 2,-0.4 -0.933 7.5-165.4-149.8 124.4 -2.7 9.9 10.0 8 10 A V E -aB 84 33A 0 25,-2.6 25,-2.0 -2,-0.3 2,-0.6 -0.957 3.4-165.5-119.0 127.0 -2.9 12.6 7.3 9 11 A L E -a 85 0A 0 75,-2.3 77,-1.9 -2,-0.4 2,-0.9 -0.962 11.5-151.4-112.4 117.2 -0.2 15.1 6.4 10 12 A V E -aC 86 17A 0 7,-0.7 7,-2.3 -2,-0.6 2,-0.6 -0.822 26.6-178.8 -87.1 104.5 -1.3 18.0 4.3 11 13 A L E + C 0 16A 27 75,-2.5 5,-0.2 -2,-0.9 -2,-0.1 -0.936 8.8 178.2-119.7 110.5 2.0 18.7 2.5 12 14 A Q - 0 0 35 3,-2.7 3,-0.3 -2,-0.6 76,-0.0 -0.520 49.8 -88.3-102.9 172.8 2.4 21.6 0.1 13 15 A P S S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 93,-0.0 0.834 121.5 13.6 -58.1 -31.3 5.5 22.5 -1.7 14 16 A Q S S+ 0 0 141 1,-0.1 92,-1.0 91,-0.1 2,-0.3 0.351 126.3 38.2-124.7 6.7 6.9 24.9 1.0 15 17 A R E - D 0 105A 88 -3,-0.3 -3,-2.7 90,-0.2 2,-0.3 -0.985 56.1-149.4-154.3 159.2 4.8 24.1 4.1 16 18 A V E -CD 11 104A 0 88,-2.3 88,-2.7 -2,-0.3 2,-0.5 -0.978 21.0-128.1-132.0 143.4 3.1 21.4 6.1 17 19 A L E +CD 10 103A 0 -7,-2.3 -7,-0.7 -2,-0.3 2,-0.3 -0.820 31.2 174.9 -94.9 126.9 -0.1 21.6 8.2 18 20 A L E - D 0 102A 0 84,-2.6 84,-2.8 -2,-0.5 2,-0.4 -0.910 19.4-140.9-126.4 156.3 0.1 20.3 11.7 19 21 A G E -ED 31 101A 0 12,-3.0 12,-2.2 -2,-0.3 2,-0.7 -0.964 14.0-131.4-118.2 136.5 -2.4 20.3 14.6 20 22 A M E -ED 30 100A 29 80,-2.2 80,-1.4 -2,-0.4 2,-0.5 -0.788 29.9-129.3 -82.3 114.5 -1.6 20.8 18.3 21 23 A K E - D 0 99A 36 8,-2.1 7,-3.1 -2,-0.7 78,-0.2 -0.567 25.8-174.0 -71.6 116.1 -3.5 18.0 20.1 22 24 A K + 0 0 88 76,-2.7 2,-0.3 -2,-0.5 -1,-0.2 0.691 60.4 12.2 -87.9 -23.4 -5.5 19.7 22.8 23 25 A R S S+ 0 0 143 75,-0.6 -1,-0.1 2,-0.1 5,-0.1 -0.964 99.3 14.9-151.5 161.2 -6.8 16.6 24.6 24 26 A G S > S+ 0 0 62 -2,-0.3 3,-1.6 2,-0.1 2,-0.3 -0.308 101.8 13.5 74.5-150.3 -6.5 12.8 25.0 25 27 A F T 3 S+ 0 0 106 1,-0.3 -2,-0.1 -2,-0.0 -4,-0.0 -0.438 134.0 6.8 -73.5 126.5 -3.7 10.7 23.8 26 28 A G T > S+ 0 0 2 -2,-0.3 3,-1.5 1,-0.2 -5,-0.3 0.659 85.9 173.1 75.9 19.6 -0.6 12.6 22.7 27 29 A A T < + 0 0 50 -3,-1.6 -5,-0.2 1,-0.2 -1,-0.2 -0.277 61.3 34.4 -56.3 141.5 -2.0 15.9 24.0 28 30 A G T 3 S+ 0 0 49 -7,-3.1 2,-0.4 1,-0.3 -1,-0.2 0.343 97.5 101.6 94.3 -6.0 0.6 18.8 23.8 29 31 A R S < S- 0 0 39 -3,-1.5 -8,-2.1 -8,-0.2 -1,-0.3 -0.892 72.1-121.9-110.7 144.1 2.3 17.5 20.7 30 32 A W E +Ef 20 114A 26 83,-2.7 85,-0.6 -2,-0.4 2,-0.3 -0.602 48.1 153.1 -72.8 139.3 2.0 18.8 17.1 31 33 A N E -E 19 0A 35 -12,-2.2 -12,-3.0 -2,-0.3 2,-0.1 -0.950 46.3 -86.6-154.3 171.9 0.9 16.0 14.8 32 34 A G - 0 0 3 -2,-0.3 2,-0.3 -14,-0.2 -23,-0.2 -0.217 58.6 -91.7 -69.6 175.0 -0.9 15.1 11.5 33 35 A F E S+B 8 0A 0 -25,-2.0 -25,-2.6 -2,-0.1 2,-0.3 -0.728 72.4 84.7 -98.0 144.8 -4.7 14.6 11.7 34 36 A G E +B 7 0A 15 -2,-0.3 2,-0.3 16,-0.3 -27,-0.2 -0.994 32.5 180.0 162.7-164.1 -6.3 11.2 12.3 35 37 A G E -B 6 0A 19 -29,-0.6 -29,-2.2 -2,-0.3 15,-0.1 -0.979 50.4 -11.7 161.9-163.3 -7.5 8.6 14.8 36 38 A K E -B 5 0A 98 -2,-0.3 2,-0.4 -31,-0.2 -31,-0.2 -0.312 59.7-124.1 -63.6 140.6 -9.1 5.2 15.1 37 39 A V - 0 0 24 -33,-2.1 -33,-0.2 1,-0.0 2,-0.2 -0.769 32.9-137.6 -83.2 134.1 -10.8 3.7 12.1 38 40 A Q > - 0 0 110 -2,-0.4 3,-1.2 4,-0.2 2,-0.1 -0.472 21.8 -90.0 -92.2 161.6 -14.4 2.9 12.8 39 41 A E T 3 S+ 0 0 197 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.482 112.4 26.0 -63.0 136.6 -16.6 -0.1 12.0 40 42 A G T 3 S+ 0 0 93 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.544 103.6 91.4 85.6 7.3 -18.3 0.4 8.7 41 43 A E S < S- 0 0 39 -3,-1.2 -1,-0.2 3,-0.0 2,-0.0 -0.986 73.7-117.7-129.7 146.8 -15.8 2.8 7.1 42 44 A T > - 0 0 83 -2,-0.3 4,-2.3 1,-0.1 -4,-0.2 -0.300 34.5-107.8 -68.2 163.2 -12.8 2.2 4.8 43 45 A I H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.949 122.0 48.5 -57.5 -47.8 -9.4 3.2 6.2 44 46 A E H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 109.9 51.4 -62.1 -40.9 -9.3 6.1 3.6 45 47 A D H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 108.9 52.2 -63.1 -38.9 -12.8 7.2 4.6 46 48 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.886 108.1 50.4 -60.7 -42.5 -11.7 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 0.926 112.6 47.0 -63.0 -45.1 -8.7 9.4 7.4 48 50 A R H X S+ 0 0 73 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.898 111.4 51.6 -60.3 -43.2 -11.0 11.9 5.6 49 51 A R H X S+ 0 0 43 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.948 112.2 45.5 -60.1 -49.5 -13.5 11.8 8.4 50 52 A E H X S+ 0 0 25 -4,-2.5 4,-2.6 2,-0.2 -16,-0.3 0.883 111.3 51.3 -65.1 -40.8 -10.8 12.6 11.0 51 53 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 -18,-0.2 6,-0.8 0.929 114.2 46.0 -59.8 -43.8 -9.2 15.4 8.9 52 54 A Q H X S+ 0 0 90 -4,-2.3 4,-1.8 4,-0.2 -2,-0.2 0.933 115.0 45.8 -63.2 -48.5 -12.7 16.9 8.5 53 55 A E H < S+ 0 0 106 -4,-3.0 45,-0.2 1,-0.2 -2,-0.2 0.901 121.4 37.3 -61.0 -41.6 -13.6 16.6 12.2 54 56 A E H < S+ 0 0 9 -4,-2.6 42,-0.4 -5,-0.2 45,-0.3 0.741 136.1 13.1 -89.8 -26.9 -10.2 17.9 13.4 55 57 A S H < S- 0 0 0 -4,-2.3 39,-2.4 -5,-0.2 -3,-0.2 0.450 89.5-121.1-127.5 -9.4 -9.5 20.7 10.9 56 58 A G S < S+ 0 0 35 -4,-1.8 -4,-0.2 -5,-0.5 2,-0.2 0.343 70.1 133.2 77.3 -4.8 -12.7 21.3 8.9 57 59 A L - 0 0 1 -6,-0.8 2,-0.3 37,-0.1 -1,-0.3 -0.470 37.8-169.9 -83.4 145.5 -10.8 20.4 5.7 58 60 A T E -U 90 0B 63 32,-1.8 32,-3.1 -2,-0.2 2,-0.3 -0.826 13.7-152.5-117.8 166.7 -11.9 18.1 2.9 59 61 A V E -U 89 0B 6 -2,-0.3 30,-0.2 30,-0.2 3,-0.1 -0.958 23.1-135.0-139.5 156.3 -9.6 17.0 0.1 60 62 A D S S+ 0 0 115 28,-1.7 2,-0.3 -2,-0.3 -1,-0.2 0.967 90.4 3.4 -70.3 -57.6 -9.8 15.9 -3.4 61 63 A A - 0 0 25 27,-0.1 2,-0.4 2,-0.0 27,-0.3 -0.946 56.8-153.7-133.3 150.3 -7.5 12.9 -3.1 62 64 A L - 0 0 12 -2,-0.3 2,-0.4 -3,-0.1 24,-0.2 -0.996 17.5-152.3-120.4 131.6 -5.5 11.1 -0.3 63 65 A H E -G 85 0A 115 22,-2.7 22,-2.3 -2,-0.4 2,-0.4 -0.879 16.6-123.0-109.4 134.3 -2.3 9.3 -1.2 64 66 A K E +G 84 0A 141 -2,-0.4 20,-0.2 20,-0.2 90,-0.1 -0.588 39.9 159.9 -71.7 123.4 -1.0 6.3 0.7 65 67 A V E - 0 0 23 18,-2.4 66,-1.7 -2,-0.4 2,-0.3 0.596 54.6 -17.1-121.0 -20.6 2.6 7.1 1.8 66 68 A G E -Gh 83 131A 1 17,-1.6 17,-3.0 64,-0.2 2,-0.4 -0.995 40.8-133.2-173.1 168.0 3.3 4.7 4.7 67 69 A Q E -Gh 82 132A 46 64,-1.6 66,-2.7 -2,-0.3 2,-0.4 -0.997 21.1-174.2-132.0 135.5 2.4 2.3 7.4 68 70 A I E -Gh 81 133A 1 13,-2.3 13,-2.7 -2,-0.4 2,-0.4 -0.996 9.9-155.3-131.4 126.2 3.8 2.4 11.0 69 71 A V E -Gh 80 134A 35 64,-2.6 66,-2.4 -2,-0.4 2,-0.4 -0.865 12.1-160.7 -98.5 133.1 3.2 -0.2 13.7 70 72 A F E -Gh 79 135A 17 9,-2.5 9,-2.5 -2,-0.4 2,-0.4 -0.965 9.0-170.4-115.2 129.9 3.5 1.0 17.3 71 73 A E E - 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