==== 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 30-APR-07 2YYH . COMPND 2 MOLECULE: 8-OXO-DGTPASE DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR N.NAKAGAWA,S.KISHISHITA,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTU . 548 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 23.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 . 70 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 6 4 0 4 4 0 0 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 0 0 0 0 0 3 1 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 2 A G 0 0 114 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-157.7 -12.9 3.6 23.2 2 3 A F - 0 0 79 221,-0.1 2,-1.2 1,-0.1 336,-0.1 -0.740 360.0-158.7 -85.2 110.6 -14.1 5.6 26.2 3 4 A N + 0 0 58 -2,-0.8 2,-0.4 334,-0.1 338,-0.1 -0.363 47.8 117.0 -89.0 55.5 -12.7 9.1 25.7 4 5 A V - 0 0 39 -2,-1.2 2,-0.4 376,-0.1 -2,-0.1 -0.985 42.3-164.7-126.4 132.1 -12.8 10.4 29.3 5 6 A K + 0 0 118 -2,-0.4 181,-0.4 142,-0.1 3,-0.1 -0.934 13.4 166.7-116.9 138.4 -9.8 11.4 31.4 6 7 A T - 0 0 19 -2,-0.4 179,-0.2 179,-0.2 180,-0.1 -0.781 45.6 -70.4-135.9 178.1 -9.7 11.9 35.1 7 8 A P - 0 0 2 0, 0.0 141,-0.3 0, 0.0 80,-0.2 -0.246 62.0 -94.1 -66.3 166.4 -7.1 12.3 37.8 8 9 A L E -a 87 0A 30 78,-3.0 80,-3.0 139,-0.1 2,-0.5 -0.535 38.5-128.8 -79.7 151.3 -5.0 9.2 38.6 9 10 A L E +a 88 0A 0 137,-0.3 36,-2.4 36,-0.2 2,-0.3 -0.901 35.5 159.5-108.3 127.2 -6.3 7.1 41.5 10 11 A A E -aB 89 44A 6 78,-2.7 80,-2.2 -2,-0.5 2,-0.3 -0.856 23.3-145.0-135.2 169.2 -4.0 6.0 44.3 11 12 A T E -aB 90 43A 0 32,-2.8 32,-2.2 -2,-0.3 2,-0.3 -0.999 10.5-173.0-142.2 141.1 -4.4 4.8 47.9 12 13 A D E -aB 91 42A 15 78,-1.7 80,-2.5 -2,-0.3 2,-0.4 -0.901 11.8-145.4-128.2 158.3 -2.3 5.3 51.1 13 14 A V E -a 92 0A 0 28,-1.9 2,-1.0 -2,-0.3 80,-0.2 -0.987 12.7-145.5-134.0 136.9 -2.6 3.8 54.5 14 15 A I E -a 93 0A 0 78,-3.2 80,-2.7 -2,-0.4 2,-0.7 -0.863 32.3-157.4 -94.2 100.5 -2.0 5.1 58.0 15 16 A I E -a 94 0A 0 -2,-1.0 12,-1.4 12,-0.4 2,-0.7 -0.766 10.4-155.2 -90.5 114.9 -0.7 1.8 59.5 16 17 A R E -aC 95 26A 43 78,-3.0 80,-1.9 -2,-0.7 2,-0.4 -0.796 20.2-148.7 -85.3 114.0 -1.0 1.5 63.3 17 18 A L E -aC 96 25A 9 8,-2.9 7,-2.8 -2,-0.7 8,-0.8 -0.714 15.7-168.7 -90.2 136.1 1.7 -1.0 64.2 18 19 A W E -aC 97 23A 71 78,-2.8 80,-0.6 -2,-0.4 2,-0.5 -0.943 27.5-163.5-128.6 147.9 1.2 -3.3 67.2 19 20 A D E > S- C 0 22A 99 3,-2.5 3,-1.1 -2,-0.3 2,-0.4 -0.834 81.7 -55.6-122.7 82.7 3.3 -5.7 69.2 20 21 A G T 3 S- 0 0 41 -2,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.639 118.7 -21.3 79.7-132.4 0.5 -7.5 70.9 21 22 A E T 3 S+ 0 0 176 -2,-0.4 2,-0.7 -3,-0.1 -1,-0.2 0.272 117.2 106.6 -92.7 12.6 -1.8 -5.1 72.7 22 23 A N E < -C 19 0A 92 -3,-1.1 -3,-2.5 2,-0.0 2,-0.3 -0.833 67.0-140.8 -98.3 112.9 1.1 -2.6 72.7 23 24 A F E +C 18 0A 85 -2,-0.7 -5,-0.2 -5,-0.2 3,-0.1 -0.543 20.2 179.8 -73.4 126.6 0.8 0.3 70.3 24 25 A K E - 0 0 93 -7,-2.8 2,-0.3 1,-0.4 -6,-0.2 0.644 42.2-110.0-101.8 -19.5 4.1 1.2 68.6 25 26 A G E -C 17 0A 0 -8,-0.8 -8,-2.9 88,-0.2 -1,-0.4 -0.904 50.5 -40.5 124.1-154.0 3.0 4.1 66.4 26 27 A I E -CD 16 112A 0 86,-2.3 86,-2.6 -2,-0.3 2,-0.6 -0.841 47.6-116.8-118.3 157.2 2.7 4.3 62.7 27 28 A V E - D 0 111A 0 -12,-1.4 -12,-0.4 -2,-0.3 2,-0.3 -0.778 32.4-177.8 -93.0 120.6 4.8 3.1 59.8 28 29 A L E - D 0 110A 0 82,-2.8 82,-2.0 -2,-0.6 2,-0.3 -0.823 14.1-135.4-116.4 157.6 6.3 5.6 57.4 29 30 A I E -ED 39 109A 4 10,-4.0 10,-2.3 -2,-0.3 2,-0.7 -0.809 9.3-137.6-116.3 153.5 8.4 5.2 54.3 30 31 A E E -ED 38 108A 31 78,-2.7 77,-2.5 -2,-0.3 78,-0.9 -0.932 38.5-127.0-104.1 105.0 11.6 6.7 52.9 31 32 A R E - D 0 106A 19 6,-3.0 6,-0.4 -2,-0.7 75,-0.2 -0.350 21.9-168.2 -62.0 127.4 10.7 7.2 49.2 32 33 A K + 0 0 90 73,-3.6 -1,-0.1 -2,-0.1 74,-0.1 0.643 66.6 58.7 -87.9 -18.9 13.2 5.7 46.8 33 34 A Y S S- 0 0 115 72,-0.6 4,-0.1 2,-0.2 74,-0.1 -0.690 106.9 -52.0-115.4 167.3 11.8 7.4 43.7 34 35 A P S S+ 0 0 102 0, 0.0 2,-3.1 0, 0.0 -3,-0.0 0.421 122.3 56.6 2.5 -83.5 11.2 11.0 42.3 35 36 A P S S- 0 0 17 0, 0.0 2,-0.2 0, 0.0 -2,-0.2 -0.372 89.5-165.9 -67.2 84.7 9.2 12.6 45.1 36 37 A V + 0 0 94 -2,-3.1 2,-0.3 -4,-0.1 -4,-0.1 -0.511 35.6 65.5 -75.1 133.5 12.0 11.8 47.5 37 38 A G S S- 0 0 16 -6,-0.4 -6,-3.0 -2,-0.2 2,-0.3 -0.931 85.4 -38.3 149.9-173.4 11.4 12.1 51.2 38 39 A L E +Ef 30 122A 2 83,-1.7 85,-2.5 -2,-0.3 2,-0.3 -0.636 67.0 140.4 -84.9 140.8 9.4 10.7 54.2 39 40 A A E -E 29 0A 0 -10,-2.3 -10,-4.0 -2,-0.3 85,-0.1 -0.988 52.3 -76.4-168.0 171.8 5.8 9.7 53.6 40 41 A L - 0 0 7 -2,-0.3 2,-0.2 -12,-0.2 -12,-0.1 -0.413 56.7-103.6 -73.9 154.4 3.0 7.3 54.2 41 42 A P + 0 0 0 0, 0.0 -28,-1.9 0, 0.0 2,-0.3 -0.562 65.4 119.1 -79.0 149.0 3.2 4.0 52.3 42 43 A G E -B 12 0A 12 -30,-0.2 2,-0.3 16,-0.2 -30,-0.2 -0.951 31.7-167.2 171.1 172.5 0.9 3.7 49.3 43 44 A G E -B 11 0A 15 -32,-2.2 -32,-2.8 -2,-0.3 2,-0.2 -0.965 37.1 -58.9-166.1-178.9 0.6 3.3 45.5 44 45 A F E -B 10 0A 39 -2,-0.3 2,-0.3 -34,-0.3 -34,-0.3 -0.465 48.3-119.2 -76.9 145.3 -1.6 3.5 42.4 45 46 A V - 0 0 1 -36,-2.4 -36,-0.2 -2,-0.2 2,-0.2 -0.672 30.6-127.6 -81.3 135.5 -4.7 1.4 42.1 46 47 A E > - 0 0 105 -2,-0.3 3,-2.1 4,-0.2 99,-0.2 -0.572 28.6 -97.3 -84.6 149.1 -4.6 -1.0 39.2 47 48 A V T 3 S+ 0 0 87 97,-0.5 3,-0.1 1,-0.3 -1,-0.1 -0.441 115.3 22.7 -62.2 134.1 -7.3 -1.1 36.6 48 49 A G T 3 S+ 0 0 43 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.486 103.1 112.8 86.0 3.6 -9.7 -3.9 37.6 49 50 A E < - 0 0 18 -3,-2.1 -1,-0.3 168,-0.1 2,-0.1 -0.896 68.4-122.2-113.4 137.7 -8.5 -3.8 41.2 50 51 A R >> - 0 0 94 -2,-0.4 4,-2.2 1,-0.1 3,-0.6 -0.477 25.8-119.5 -73.2 147.0 -10.6 -2.8 44.2 51 52 A V H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.900 114.7 51.1 -54.9 -41.9 -9.2 0.2 46.2 52 53 A E H 3> S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.807 108.7 51.8 -66.3 -29.3 -8.9 -2.0 49.3 53 54 A E H <> S+ 0 0 85 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.885 108.6 50.6 -73.1 -39.1 -7.1 -4.7 47.4 54 55 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.857 109.7 51.8 -65.8 -35.7 -4.6 -2.1 46.1 55 56 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.957 112.8 42.8 -66.8 -50.5 -4.0 -0.9 49.6 56 57 A A H X S+ 0 0 18 -4,-2.0 4,-2.1 2,-0.2 3,-0.4 0.971 117.7 47.3 -59.2 -52.5 -3.3 -4.3 51.1 57 58 A R H X S+ 0 0 36 -4,-2.7 4,-2.4 1,-0.3 -2,-0.2 0.931 111.6 50.2 -52.3 -51.6 -1.2 -5.2 48.1 58 59 A E H X S+ 0 0 11 -4,-2.9 4,-2.0 1,-0.2 -1,-0.3 0.807 109.3 52.2 -60.3 -31.3 0.7 -1.9 48.3 59 60 A X H X>S+ 0 0 0 -4,-1.9 4,-2.5 -3,-0.4 6,-0.9 0.876 108.4 50.1 -74.2 -36.4 1.4 -2.4 52.0 60 61 A R H X5S+ 0 0 118 -4,-2.1 4,-1.5 4,-0.2 -2,-0.2 0.960 113.4 46.3 -63.3 -50.8 2.8 -5.9 51.4 61 62 A E H <5S+ 0 0 83 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.923 123.9 30.3 -57.0 -51.5 5.1 -4.7 48.7 62 63 A E H <5S+ 0 0 10 -4,-2.0 41,-0.5 -5,-0.2 -1,-0.2 0.779 137.8 17.5 -84.8 -29.3 6.4 -1.6 50.5 63 64 A T H <5S- 0 0 0 -4,-2.5 38,-2.9 -5,-0.2 -3,-0.2 0.481 86.0-131.6-121.3 -7.5 6.3 -2.6 54.2 64 65 A G << + 0 0 49 -4,-1.5 -4,-0.2 -5,-0.8 2,-0.2 0.544 64.5 134.1 67.0 5.0 6.1 -6.4 54.1 65 66 A L - 0 0 6 -6,-0.9 2,-0.9 36,-0.1 -1,-0.2 -0.580 60.8-132.2 -90.8 150.4 3.2 -6.1 56.6 66 67 A E - 0 0 126 31,-0.4 2,-0.5 -2,-0.2 31,-0.4 -0.869 35.4-164.9 -99.3 100.8 -0.2 -7.8 56.4 67 68 A V - 0 0 8 -2,-0.9 2,-0.7 -11,-0.2 29,-0.2 -0.792 17.2-154.2 -99.7 128.0 -2.5 -4.9 57.1 68 69 A R E -G 95 0A 212 27,-2.4 27,-2.0 -2,-0.5 2,-0.1 -0.863 26.3-129.0 -96.3 115.0 -6.2 -5.2 58.0 69 70 A L E +G 94 0A 44 -2,-0.7 25,-0.3 25,-0.2 3,-0.1 -0.408 28.7 178.4 -64.9 136.8 -8.0 -2.0 56.9 70 71 A H E - 0 0 128 23,-3.1 2,-0.3 1,-0.3 24,-0.2 0.798 56.5 -2.3-108.7 -43.3 -10.0 -0.4 59.7 71 72 A K E -G 93 0A 67 22,-1.9 22,-2.0 206,-0.0 2,-0.5 -0.996 60.2-114.1-156.3 146.1 -11.6 2.7 58.3 72 73 A L E -G 92 0A 28 -2,-0.3 20,-0.2 20,-0.2 3,-0.1 -0.686 37.3-177.9 -73.3 124.0 -11.8 4.9 55.3 73 74 A X E - 0 0 6 18,-2.9 2,-0.3 -2,-0.5 19,-0.2 0.881 46.1 -48.2 -96.5 -45.3 -10.2 8.1 56.6 74 75 A G E -G 91 0A 8 17,-1.6 17,-3.2 64,-0.1 2,-0.5 -0.988 37.7-114.5-176.4 172.7 -10.4 10.6 53.7 75 76 A V E -G 90 0A 11 -2,-0.3 2,-0.5 15,-0.2 15,-0.2 -0.991 27.6-162.7-126.4 118.8 -10.0 11.4 50.0 76 77 A Y E +G 89 0A 19 13,-2.6 13,-2.5 -2,-0.5 -2,-0.0 -0.912 22.9 155.0-108.6 125.3 -7.3 14.0 49.2 77 78 A S + 0 0 4 -2,-0.5 -1,-0.1 11,-0.2 11,-0.1 0.205 7.6 150.4-135.6 18.2 -7.4 15.6 45.8 78 79 A D > - 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