==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-NOV-07 2ZDC . COMPND 2 MOLECULE: 167AA LONG HYPOTHETICAL DUTPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR M.KANAGAWA,BABA S.,S.KURAMITSU,S.YOKOYAMA,G.KAWAI,G.SAMPEI, . 429 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 174 40.6 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 . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 55 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 0 0 0 0 0 0 0 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 . 6 6 3 9 0 3 3 0 3 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 3 3 0 3 0 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 10 A I 0 0 23 0, 0.0 428,-2.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 135.8 24.3 26.0 -0.9 2 11 A L - 0 0 20 135,-1.1 135,-0.3 426,-0.2 2,-0.1 -0.530 360.0-135.8 -78.6 138.7 24.5 22.3 -0.1 3 12 A S > - 0 0 3 -2,-0.2 4,-2.0 23,-0.1 23,-0.3 -0.303 35.6 -88.2 -84.8 172.9 21.8 20.8 2.0 4 13 A H H > S+ 0 0 75 21,-2.2 4,-1.9 1,-0.2 22,-0.1 0.886 127.3 52.7 -46.6 -48.9 22.2 18.3 5.0 5 14 A Q H > S+ 0 0 102 1,-0.2 4,-1.2 20,-0.2 -1,-0.2 0.928 109.0 47.2 -54.7 -53.0 22.2 15.4 2.6 6 15 A S H 4 S+ 0 0 15 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.833 111.5 51.5 -61.2 -35.6 24.9 16.7 0.3 7 16 A I H >X S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 4,-0.6 0.837 100.4 63.0 -71.5 -34.4 27.2 17.6 3.2 8 17 A K H >< S+ 0 0 111 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.894 98.9 54.4 -58.3 -41.5 26.9 14.1 4.7 9 18 A N T 3< S+ 0 0 109 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.522 99.6 65.4 -71.5 -3.2 28.5 12.6 1.6 10 19 A L T X>>S+ 0 0 22 -3,-1.7 4,-2.4 3,-0.1 5,-2.1 0.677 76.3 107.3 -89.9 -20.7 31.4 15.1 2.2 11 20 A L B <<5S+a 15 0A 24 -3,-1.3 5,-0.2 -4,-0.6 -3,-0.0 -0.354 87.2 13.1 -63.0 133.0 32.4 13.5 5.5 12 21 A G T 345S+ 0 0 47 3,-2.5 -1,-0.3 1,-0.1 4,-0.2 0.278 133.1 50.4 85.4 -12.6 35.6 11.5 5.4 13 22 A K T <45S+ 0 0 129 -3,-1.7 -2,-0.2 2,-0.2 3,-0.2 0.696 127.6 7.4-118.0 -64.6 36.4 13.0 2.0 14 23 A V T <5S+ 0 0 0 -4,-2.4 65,-1.9 1,-0.2 2,-0.6 0.773 133.8 45.6 -92.3 -32.1 36.1 16.8 2.1 15 24 A I E - 0 0 27 10,-0.1 3,-1.2 -2,-0.1 4,-0.2 -0.984 11.1-148.5-134.9 118.7 31.3 14.7 13.9 20 29 A E G > S+ 0 0 127 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.814 99.4 62.4 -58.9 -29.2 28.2 13.3 12.1 21 30 A E G 3 S+ 0 0 150 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.829 92.8 64.8 -64.5 -33.4 26.1 15.2 14.6 22 31 A N G < S+ 0 0 16 -3,-1.2 7,-2.7 7,-0.1 2,-0.8 0.427 72.3 104.7 -74.5 1.0 27.5 18.5 13.4 23 32 A V B < -G 28 0B 6 -3,-1.3 5,-0.2 5,-0.2 2,-0.1 -0.766 59.7-168.0 -84.7 112.6 26.0 18.2 9.9 24 33 A R - 0 0 89 3,-3.6 3,-0.4 -2,-0.8 -17,-0.2 -0.210 39.0 -80.1 -94.6-174.4 23.1 20.6 10.0 25 34 A E S S- 0 0 76 1,-0.2 -21,-2.2 -22,-0.1 -20,-0.2 0.838 124.7 -4.8 -54.3 -37.9 20.0 21.3 7.8 26 35 A N S S+ 0 0 1 -23,-0.3 2,-0.3 -22,-0.1 111,-0.3 -0.065 130.7 29.8-152.4 41.4 22.2 23.4 5.4 27 36 A G S S- 0 0 0 -3,-0.4 -3,-3.6 109,-0.1 2,-0.4 -0.967 70.3-106.3 177.8 170.2 25.7 23.5 6.9 28 37 A Y E -GH 23 135B 0 107,-1.4 107,-3.0 -2,-0.3 2,-0.9 -0.959 28.7-131.3-117.6 135.5 28.4 21.9 9.0 29 38 A D E - H 0 134B 7 -7,-2.7 105,-0.2 -2,-0.4 -10,-0.1 -0.761 22.5-145.4 -91.6 107.0 29.2 23.2 12.5 30 39 A L E - H 0 133B 0 103,-1.6 102,-2.3 -2,-0.9 103,-1.4 -0.390 14.1-148.0 -68.5 145.8 33.0 23.5 12.8 31 40 A R E - H 0 131B 50 100,-0.3 44,-1.8 101,-0.2 2,-0.5 -0.784 10.1-121.7-115.9 159.2 34.5 22.8 16.2 32 41 A I E +C 74 0A 0 98,-1.8 97,-2.8 -2,-0.3 42,-0.2 -0.870 44.2 145.7-103.8 132.3 37.5 24.2 18.1 33 42 A a E +C 73 0A 34 40,-2.8 40,-0.7 -2,-0.5 3,-0.1 -0.587 5.0 111.1-138.3-159.1 40.3 21.7 19.2 34 43 A G E S- 0 0 12 -2,-0.2 3,-0.1 1,-0.1 41,-0.1 -0.011 70.3 -93.8 100.9 154.8 44.0 21.5 19.7 35 44 A D E S+ 0 0 131 1,-0.1 23,-2.3 22,-0.1 2,-0.3 0.640 109.2 21.4 -76.6 -14.0 46.5 21.2 22.5 36 45 A K E - D 0 57A 80 21,-0.3 37,-0.5 -3,-0.1 2,-0.3 -0.979 58.6-161.2-151.5 161.4 46.7 25.0 22.4 37 46 A Y E - D 0 56A 11 19,-2.4 19,-2.7 -2,-0.3 2,-0.4 -0.906 24.7-123.7-136.3 163.6 45.0 28.2 21.4 38 47 A Y E -CD 71 55A 72 33,-2.6 33,-2.3 -2,-0.3 2,-0.5 -0.900 8.7-155.0-121.8 145.6 46.4 31.7 20.9 39 48 A E E -CD 70 54A 10 15,-2.5 15,-2.4 -2,-0.4 2,-0.4 -0.954 21.5-131.5-114.0 126.9 45.8 35.2 22.3 40 49 A L E + D 0 53A 0 29,-2.5 29,-0.3 -2,-0.5 13,-0.2 -0.655 33.3 167.2 -75.6 128.1 46.7 38.3 20.3 41 50 A V E + 0 0 68 11,-3.5 2,-0.4 -2,-0.4 12,-0.2 0.621 62.1 35.1-115.6 -22.6 48.6 40.5 22.7 42 51 A Q E S- D 0 52A 99 10,-1.3 10,-2.2 224,-0.1 -1,-0.3 -0.999 87.6-108.3-135.5 138.3 50.1 43.1 20.4 43 52 A G - 0 0 8 224,-0.4 2,-0.2 -2,-0.4 225,-0.1 -0.089 30.5-113.1 -63.6 159.3 48.6 44.6 17.2 44 53 A A - 0 0 0 197,-0.6 225,-2.1 7,-0.1 2,-0.3 -0.522 7.1-152.5 -92.2 158.8 49.7 43.9 13.7 45 54 A E E > -Kl 49 269C 88 4,-2.7 4,-2.3 223,-0.2 3,-0.3 -0.682 50.7-112.9-127.8 71.8 51.3 46.3 11.2 46 55 A L E 4 S+ l 0 270C 0 223,-1.5 225,-1.1 1,-0.3 228,-0.1 -0.208 77.1 2.8 -64.4 147.7 50.0 44.6 8.0 47 56 A P T 4 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.984 133.2 40.9 -88.4 -14.1 51.1 43.2 5.8 48 57 A E T 4 S+ 0 0 117 -3,-0.3 2,-0.5 1,-0.2 -2,-0.2 0.842 116.4 41.6 -58.4 -42.5 54.7 43.2 7.0 49 58 A K B < S-K 45 0C 76 -4,-2.3 -4,-2.7 3,-0.0 -1,-0.2 -0.936 72.4-151.8-118.6 117.0 54.2 42.5 10.7 50 59 A K - 0 0 106 -2,-0.5 191,-0.1 -6,-0.2 -5,-0.1 -0.266 38.5 -83.0 -75.2 167.0 51.7 40.0 12.0 51 60 A A - 0 0 10 -7,-0.1 2,-0.5 1,-0.1 -8,-0.2 -0.359 46.3-107.7 -69.9 151.7 50.0 40.3 15.4 52 61 A T E -D 42 0A 56 -10,-2.2 -11,-3.5 -9,-0.1 -10,-1.3 -0.724 38.8-156.4 -84.9 123.8 52.0 39.1 18.4 53 62 A L E -D 40 0A 75 -2,-0.5 2,-0.5 -13,-0.2 -13,-0.2 -0.724 14.0-150.8-103.8 149.7 50.5 35.9 19.9 54 63 A R E -D 39 0A 135 -15,-2.4 -15,-2.5 -2,-0.3 2,-0.4 -0.981 23.7-135.2-115.7 123.1 50.6 34.4 23.3 55 64 A E E -D 38 0A 114 -2,-0.5 2,-0.4 -17,-0.2 -17,-0.2 -0.647 24.5-171.2 -82.5 132.6 50.4 30.6 23.3 56 65 A I E -D 37 0A 32 -19,-2.7 -19,-2.4 -2,-0.4 2,-0.2 -0.986 28.5-111.1-131.3 135.0 48.0 29.1 25.8 57 66 A E E -D 36 0A 124 -2,-0.4 2,-1.3 -21,-0.2 -21,-0.3 -0.407 26.5-141.6 -61.1 124.7 47.4 25.5 26.9 58 67 A F + 0 0 2 -23,-2.3 4,-0.1 -2,-0.2 -1,-0.1 -0.726 36.2 162.0 -92.1 88.3 44.0 24.5 25.7 59 68 A K - 0 0 139 -2,-1.3 -1,-0.2 2,-0.3 3,-0.1 0.913 67.3 -52.4 -71.1 -98.4 42.9 22.3 28.7 60 69 A E S S+ 0 0 99 1,-0.4 68,-2.6 67,-0.0 2,-0.4 0.586 125.6 28.6-119.2 -23.9 39.1 21.8 28.8 61 70 A R E S-N 127 0D 64 66,-0.3 2,-0.6 2,-0.0 -1,-0.4 -0.993 72.3-136.6-142.1 131.8 37.9 25.4 28.6 62 71 A A E -N 126 0D 0 64,-3.2 64,-1.9 -2,-0.4 2,-0.5 -0.794 19.0-146.1 -91.8 122.6 39.5 28.3 26.9 63 72 A I E -N 125 0D 102 -2,-0.6 2,-0.4 62,-0.2 62,-0.2 -0.769 16.2-165.1 -91.2 125.6 39.4 31.5 29.0 64 73 A L E -N 124 0D 1 60,-3.3 60,-2.2 -2,-0.5 2,-0.3 -0.884 10.7-141.7-114.8 141.9 39.0 34.7 27.1 65 74 A S > - 0 0 47 -2,-0.4 3,-1.0 58,-0.2 55,-0.4 -0.726 36.0 -95.2 -96.5 149.1 39.5 38.3 28.2 66 75 A A T 3 S+ 0 0 23 -2,-0.3 55,-0.2 1,-0.2 56,-0.1 -0.262 106.6 19.1 -60.5 147.9 37.3 41.1 27.0 67 76 A N T 3 S+ 0 0 62 53,-1.9 2,-0.3 1,-0.2 -1,-0.2 0.741 99.4 111.7 61.3 31.4 38.5 43.1 24.0 68 77 A H E < - E 0 120A 57 -3,-1.0 52,-2.3 52,-0.7 2,-0.4 -0.966 59.7-134.4-131.2 147.7 41.0 40.4 22.8 69 78 A T E - E 0 119A 1 -2,-0.3 -29,-2.5 -29,-0.3 2,-0.4 -0.844 20.7-161.0-102.5 139.4 41.0 38.2 19.7 70 79 A Y E -CE 39 118A 2 48,-2.8 48,-2.8 -2,-0.4 2,-0.5 -0.955 9.2-144.0-124.5 141.4 41.8 34.5 20.0 71 80 A L E -CE 38 117A 10 -33,-2.3 -33,-2.6 -2,-0.4 2,-0.4 -0.890 18.6-176.8-106.9 127.9 42.9 32.0 17.4 72 81 A F E - E 0 116A 0 44,-2.3 44,-2.3 -2,-0.5 2,-0.4 -0.946 23.0-131.2-121.7 141.4 41.6 28.4 17.6 73 82 A E E -CE 33 115A 60 -40,-0.7 -40,-2.8 -37,-0.5 42,-0.2 -0.772 31.7-118.2 -91.6 136.5 42.6 25.5 15.3 74 83 A S E -C 32 0A 0 40,-2.4 -42,-0.2 -2,-0.4 -1,-0.0 -0.347 4.0-136.9 -70.3 153.0 39.5 23.6 14.1 75 84 A a E S+ 0 0 9 -44,-1.8 -1,-0.1 -42,-0.1 -43,-0.1 0.927 88.1 78.9 -72.3 -42.7 39.1 19.9 14.9 76 85 A E E - 0 0 0 -45,-0.3 38,-0.6 38,-0.0 2,-0.4 -0.321 69.2-153.1 -69.5 140.7 38.1 19.4 11.3 77 86 A E E -BE 16 113A 78 -61,-1.8 -61,-3.3 36,-0.2 2,-0.3 -0.929 17.0-144.7-112.1 138.1 40.6 19.2 8.5 78 87 A F E -BE 15 112A 1 34,-2.6 34,-2.7 -2,-0.4 -63,-0.2 -0.745 23.0-176.3-109.4 152.9 39.5 20.2 5.0 79 88 A N E - E 0 111A 64 -65,-1.9 32,-0.2 -2,-0.3 31,-0.1 -0.684 24.0-163.7-143.3 79.4 40.2 19.0 1.5 80 89 A M - 0 0 3 30,-2.5 29,-0.2 27,-0.2 2,-0.1 -0.490 11.2-134.9 -74.8 132.8 38.4 21.4 -0.8 81 90 A P > - 0 0 39 0, 0.0 3,-1.3 0, 0.0 28,-0.7 -0.341 28.2-110.6 -77.0 165.5 37.8 20.4 -4.4 82 91 A A T 3 S+ 0 0 61 1,-0.2 26,-0.1 26,-0.2 60,-0.1 0.440 119.3 62.1 -76.9 5.2 38.4 23.0 -7.1 83 92 A D T 3 S+ 0 0 74 60,-0.2 57,-2.1 56,-0.1 2,-0.3 0.496 99.7 55.0-106.1 -9.0 34.6 22.9 -7.4 84 93 A L E < -I 139 0B 16 -3,-1.3 2,-0.3 55,-0.2 55,-0.2 -0.930 50.1-177.1-133.9 155.3 33.6 24.1 -3.9 85 94 A A E -I 138 0B 0 53,-3.0 53,-3.4 -2,-0.3 2,-0.4 -0.932 17.8-137.3-139.9 160.1 34.1 26.9 -1.4 86 95 A V E -IJ 137 106B 0 20,-3.0 20,-2.6 -2,-0.3 2,-0.6 -0.982 0.4-151.1-130.4 131.0 32.9 27.6 2.1 87 96 A L E -IJ 136 105B 7 49,-2.8 49,-2.3 -2,-0.4 2,-0.7 -0.858 19.4-145.5 -95.3 121.7 31.5 30.7 3.8 88 97 A I E +IJ 135 104B 5 16,-3.4 16,-1.0 -2,-0.6 2,-0.3 -0.789 26.0 170.8 -90.9 117.6 32.4 30.7 7.5 89 98 A T E -I 134 0B 1 45,-1.8 45,-1.9 -2,-0.7 2,-0.3 -0.724 35.6-100.5-116.3 172.2 29.6 32.3 9.6 90 99 A L E -I 133 0B 1 301,-2.8 303,-0.3 43,-0.3 43,-0.3 -0.714 35.4-106.5 -96.2 144.0 29.3 32.3 13.3 91 100 A K >> - 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