==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-SEP-08 3EHW . COMPND 2 MOLECULE: DUTP PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.TAKACS,O.BARABAS,B.G.VERTESSY . 841 6 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 561 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 260 30.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 120 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 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 RESIDUES PER ALPHA HELIX . 5 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 0 0 PARALLEL BRIDGES PER LADDER . 4 14 6 12 6 12 0 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 . 6 12 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 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 24 A M 0 0 140 0, 0.0 2,-0.1 0, 0.0 258,-0.1 0.000 360.0 360.0 360.0 -10.3 -30.5 0.7 43.9 2 25 A Q - 0 0 39 256,-0.2 2,-0.8 49,-0.1 258,-0.2 -0.399 360.0-128.8 -79.0 151.8 -30.4 -3.1 43.5 3 26 A L E -a 260 0A 2 256,-2.6 258,-2.8 48,-0.1 2,-0.4 -0.923 33.2-165.9 -93.5 110.8 -28.5 -5.1 40.9 4 27 A R E +aB 261 50A 47 46,-1.8 46,-3.0 -2,-0.8 2,-0.3 -0.796 11.9 171.4 -97.4 141.8 -31.2 -7.3 39.4 5 28 A F E -aB 262 49A 3 256,-2.2 258,-2.6 -2,-0.4 2,-0.4 -0.978 18.1-156.3-144.1 158.8 -30.3 -10.2 37.2 6 29 A A E - B 0 48A 0 42,-2.1 42,-2.3 -2,-0.3 2,-0.3 -0.995 25.5-117.4-134.6 140.4 -32.1 -13.2 35.7 7 30 A R E - B 0 47A 106 256,-0.4 40,-0.3 -2,-0.4 3,-0.1 -0.612 16.0-164.3 -74.8 131.7 -30.6 -16.5 34.6 8 31 A L S S+ 0 0 81 38,-3.7 2,-0.3 -2,-0.3 39,-0.2 0.540 76.4 4.1 -93.2 -11.9 -31.0 -17.1 30.8 9 32 A S S > S- 0 0 32 37,-0.8 3,-1.3 -3,-0.0 -1,-0.2 -0.963 81.3 -98.3-158.2 169.2 -30.2 -20.8 31.3 10 33 A E T 3 S+ 0 0 166 -2,-0.3 36,-0.0 1,-0.2 -3,-0.0 0.542 113.9 70.5 -64.6 -10.0 -29.6 -23.4 34.0 11 34 A H T 3 S+ 0 0 55 35,-0.1 -1,-0.2 2,-0.1 92,-0.2 0.564 76.9 98.7 -90.7 -9.1 -25.8 -22.9 33.4 12 35 A A < - 0 0 4 -3,-1.3 2,-0.4 34,-0.3 34,-0.1 -0.411 60.6-150.1 -75.2 151.6 -25.6 -19.5 34.9 13 36 A T - 0 0 48 32,-0.4 15,-0.4 15,-0.3 3,-0.1 -0.990 26.7-106.3-123.8 135.1 -24.4 -18.9 38.4 14 37 A A - 0 0 28 -2,-0.4 12,-0.1 1,-0.1 248,-0.0 -0.365 45.7-108.9 -55.3 125.7 -25.6 -16.0 40.6 15 38 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.259 39.1-159.3 -56.9 151.5 -22.7 -13.5 40.8 16 39 A T E -C 26 0B 52 10,-1.0 10,-3.4 -3,-0.1 2,-0.4 -0.976 18.5-118.6-138.2 146.6 -21.0 -13.3 44.2 17 40 A R E -C 25 0B 64 -2,-0.3 8,-0.2 8,-0.2 3,-0.1 -0.749 15.7-149.2 -85.7 129.0 -18.8 -10.8 46.1 18 41 A G S S+ 0 0 25 6,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.761 80.9 10.1 -68.7 -30.2 -15.3 -12.1 46.9 19 42 A S S > S- 0 0 18 1,-0.0 3,-1.9 -3,-0.0 -1,-0.1 -0.953 89.3 -94.7-145.7 166.2 -15.0 -10.1 50.1 20 43 A A T 3 S+ 0 0 80 -2,-0.3 -1,-0.0 1,-0.3 -3,-0.0 0.826 124.3 25.1 -52.5 -41.4 -17.4 -7.9 52.2 21 44 A R T 3 S+ 0 0 76 -3,-0.0 200,-0.8 -4,-0.0 201,-0.4 -0.018 84.5 149.9-117.0 29.3 -16.4 -4.7 50.5 22 45 A A < - 0 0 2 -3,-1.9 197,-0.1 198,-0.2 198,-0.0 -0.412 47.1-137.7 -61.1 132.4 -15.3 -6.0 47.1 23 46 A A S S+ 0 0 5 -2,-0.1 88,-0.6 195,-0.1 2,-0.3 0.764 81.0 50.8 -62.8 -26.8 -15.9 -3.5 44.3 24 47 A G E S- D 0 110B 0 86,-0.2 2,-0.6 194,-0.1 -6,-0.6 -0.817 71.9-131.6-120.3 153.8 -17.1 -6.2 42.0 25 48 A Y E -CD 17 109B 13 84,-2.2 84,-2.6 -2,-0.3 -8,-0.2 -0.906 41.6-118.9 -91.7 123.2 -19.5 -9.1 41.7 26 49 A D E -CD 16 108B 5 -10,-3.4 -10,-1.0 -2,-0.6 2,-0.4 -0.432 24.1-140.5 -67.6 138.1 -17.6 -12.1 40.3 27 50 A L E - D 0 107B 1 80,-2.8 79,-2.0 -12,-0.2 80,-0.8 -0.858 10.5-148.0-105.9 133.6 -18.9 -13.4 37.1 28 51 A Y E - D 0 105B 24 -15,-0.4 -15,-0.3 -2,-0.4 77,-0.2 -0.816 16.9-119.6-105.6 133.6 -19.1 -17.2 36.3 29 52 A S - 0 0 0 75,-2.3 74,-3.3 -2,-0.4 16,-0.2 -0.502 12.0-157.8 -64.0 135.2 -18.7 -18.8 32.9 30 53 A A S S+ 0 0 1 14,-2.5 2,-0.3 72,-0.2 72,-0.2 0.540 75.4 37.4 -86.1 -9.4 -21.8 -20.8 31.9 31 54 A Y S S- 0 0 76 13,-0.4 2,-0.3 70,-0.2 73,-0.2 -0.897 84.9-100.6-139.0 161.6 -19.6 -22.8 29.5 32 55 A D - 0 0 114 -2,-0.3 2,-0.4 69,-0.2 69,-0.2 -0.700 40.1-178.4 -79.2 137.5 -16.2 -24.5 29.0 33 56 A Y E -H 100 0C 42 67,-2.5 67,-2.9 -2,-0.3 2,-0.6 -1.000 22.1-157.1-135.7 138.9 -13.8 -22.6 26.8 34 57 A T E -H 99 0C 86 -2,-0.4 65,-0.2 65,-0.2 63,-0.0 -0.953 18.0-163.9-111.2 110.2 -10.3 -23.4 25.6 35 58 A I E -H 98 0C 1 63,-3.5 63,-3.2 -2,-0.6 3,-0.1 -0.853 11.6-140.0-100.3 112.9 -8.6 -20.1 24.8 36 59 A P > - 0 0 64 0, 0.0 3,-0.9 0, 0.0 56,-0.2 -0.164 39.6 -75.6 -62.7 159.1 -5.4 -20.5 22.7 37 60 A P T 3 S+ 0 0 61 0, 0.0 58,-0.2 0, 0.0 56,-0.2 -0.329 118.9 9.6 -54.7 138.7 -2.3 -18.3 23.3 38 61 A M T 3 S+ 0 0 54 54,-1.4 2,-0.3 56,-0.8 55,-0.2 0.894 109.2 112.4 55.1 43.3 -2.8 -14.7 22.0 39 62 A E E < -I 92 0D 41 53,-1.0 53,-3.1 -3,-0.9 2,-0.3 -0.888 54.1-137.2-138.5 172.3 -6.5 -15.3 21.3 40 63 A K E -I 91 0D 53 -2,-0.3 2,-0.3 51,-0.2 51,-0.2 -0.818 12.0-172.2-130.1 163.1 -9.9 -14.1 22.6 41 64 A A E -I 90 0D 19 49,-1.8 49,-2.4 -2,-0.3 2,-0.9 -0.974 26.6-127.0-154.1 144.6 -13.2 -15.6 23.5 42 65 A V E -I 89 0D 53 -2,-0.3 2,-0.5 47,-0.2 47,-0.2 -0.868 29.4-152.8 -95.7 106.3 -16.6 -14.2 24.4 43 66 A V E -I 88 0D 0 45,-3.4 45,-3.1 -2,-0.9 2,-0.4 -0.692 8.9-139.8 -83.2 121.7 -17.4 -16.0 27.6 44 67 A K E -I 87 0D 94 -2,-0.5 -14,-2.5 43,-0.2 -13,-0.4 -0.695 18.3-173.1 -84.6 131.8 -21.2 -16.2 28.1 45 68 A T - 0 0 2 41,-2.0 -32,-0.4 -2,-0.4 -1,-0.1 0.668 29.9-139.7 -88.0 -22.1 -22.5 -15.7 31.6 46 69 A D + 0 0 5 40,-0.3 -38,-3.7 1,-0.3 -37,-0.8 0.793 66.1 112.3 54.1 32.9 -26.1 -16.6 30.6 47 70 A I E -B 7 0A 3 39,-0.3 39,-2.9 -40,-0.3 2,-0.4 -0.965 55.8-152.3-122.0 149.0 -27.4 -13.9 32.8 48 71 A Q E -B 6 0A 34 -42,-2.3 -42,-2.1 -2,-0.4 2,-0.3 -0.923 21.0-155.4-107.3 147.4 -29.1 -10.6 31.9 49 72 A I E -B 5 0A 3 35,-0.4 2,-0.5 -2,-0.4 -44,-0.2 -0.905 17.8-152.6-126.6 151.1 -28.7 -7.7 34.3 50 73 A A E -B 4 0A 10 -46,-3.0 -46,-1.8 -2,-0.3 30,-0.1 -0.947 24.5-150.6-121.0 105.4 -30.6 -4.5 35.2 51 74 A L - 0 0 12 -2,-0.5 -48,-0.1 29,-0.4 3,-0.1 -0.505 22.4-105.2 -76.5 141.2 -28.2 -1.9 36.5 52 75 A P > - 0 0 9 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.346 53.1 -84.2 -60.2 147.8 -29.3 0.7 39.0 53 76 A S T 3 S+ 0 0 87 1,-0.2 3,-0.1 60,-0.0 0, 0.0 -0.179 111.3 30.0 -56.1 143.8 -29.8 4.2 37.4 54 77 A G T 3 S+ 0 0 20 1,-0.3 60,-1.8 -3,-0.1 2,-0.3 0.743 108.9 76.6 80.6 24.1 -26.7 6.4 37.1 55 78 A C E < -E 113 0B 0 -3,-0.6 -1,-0.3 58,-0.3 2,-0.3 -0.957 59.7-148.2-149.8 164.9 -24.2 3.6 36.6 56 79 A Y E -E 112 0B 0 56,-1.8 56,-1.6 -2,-0.3 2,-0.7 -0.868 30.4-109.1-126.4 168.2 -23.0 1.1 34.1 57 80 A G E -EF 111 78B 0 21,-3.2 21,-3.3 -2,-0.3 2,-0.6 -0.898 29.2-158.8 -99.3 114.9 -21.6 -2.4 34.7 58 81 A R E -EF 110 77B 20 52,-3.2 52,-3.2 -2,-0.7 2,-0.7 -0.874 9.8-145.4 -95.6 120.6 -17.9 -2.6 34.0 59 82 A V E -E 109 0B 4 17,-2.2 50,-0.2 -2,-0.6 30,-0.1 -0.797 31.4-175.8 -78.2 115.4 -16.7 -6.1 33.4 60 83 A A E -E 108 0B 0 48,-3.4 48,-2.4 -2,-0.7 2,-0.1 -0.874 24.7-104.8-118.8 150.8 -13.2 -5.9 35.0 61 84 A P - 0 0 9 0, 0.0 157,-0.4 0, 0.0 2,-0.3 -0.430 28.0-122.3 -75.4 149.7 -10.4 -8.4 35.2 62 85 A R > - 0 0 21 44,-0.3 4,-1.6 -2,-0.1 154,-0.2 -0.652 18.6-133.0 -82.1 148.4 -9.6 -10.4 38.3 63 86 A S H > S+ 0 0 36 -2,-0.3 4,-3.3 2,-0.2 5,-0.3 0.804 99.7 55.3 -78.7 -32.8 -6.0 -10.0 39.5 64 87 A G H >>S+ 0 0 5 2,-0.2 4,-3.1 1,-0.2 5,-0.5 0.968 111.5 44.3 -63.4 -53.1 -5.1 -13.6 40.0 65 88 A L H >5S+ 0 0 19 3,-0.2 6,-1.8 2,-0.2 4,-1.6 0.873 117.9 47.0 -58.7 -37.9 -6.0 -14.5 36.5 66 89 A A H X5S+ 0 0 0 -4,-1.6 4,-1.7 4,-0.2 -2,-0.2 0.980 118.7 37.3 -65.8 -56.7 -4.2 -11.4 35.3 67 90 A A H <5S+ 0 0 16 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.863 127.9 34.2 -67.2 -36.9 -1.0 -11.8 37.3 68 91 A K H <5S+ 0 0 121 -4,-3.1 -3,-0.2 -5,-0.3 -1,-0.2 0.858 133.6 20.3 -90.2 -36.6 -0.8 -15.6 37.0 69 92 A H H < - 0 0 16 -2,-0.8 3,-1.8 -23,-0.2 -28,-0.2 -0.307 14.1-118.7 -76.2 152.9 -24.9 -0.4 29.6 80 103 A E T 3 S+ 0 0 20 223,-0.9 -29,-0.4 1,-0.3 224,-0.1 0.799 116.5 48.2 -53.3 -33.5 -27.7 0.6 31.9 81 104 A D T 3 S+ 0 0 9 222,-0.5 191,-0.6 -31,-0.1 2,-0.4 0.321 83.6 118.1 -97.9 9.5 -30.2 -0.3 29.1 82 105 A Y B < +k 272 0E 20 -3,-1.8 -33,-0.3 221,-0.2 -31,-0.2 -0.614 26.8 166.7 -78.8 128.5 -28.7 -3.7 28.1 83 106 A R + 0 0 24 189,-3.1 190,-0.3 -2,-0.4 -1,-0.1 0.237 45.1 102.3-123.4 11.1 -31.0 -6.6 28.5 84 107 A G S S- 0 0 5 188,-0.7 -35,-0.4 190,-0.2 2,-0.4 -0.136 88.3 -63.9 -82.3-175.0 -29.0 -9.2 26.5 85 108 A N - 0 0 41 188,-0.1 2,-0.5 -37,-0.1 -37,-0.2 -0.583 56.2-118.9 -68.2 123.8 -26.7 -12.0 27.7 86 109 A V - 0 0 0 -39,-2.9 -41,-2.0 -2,-0.4 2,-0.4 -0.559 33.8-163.9 -72.4 115.2 -23.7 -10.5 29.6 87 110 A G E -I 44 0D 10 -2,-0.5 2,-0.6 -43,-0.2 -43,-0.2 -0.857 11.8-150.1-101.4 136.7 -20.6 -11.5 27.7 88 111 A V E -I 43 0D 0 -45,-3.1 -45,-3.4 -2,-0.4 2,-1.0 -0.931 11.4-147.6-103.7 117.8 -17.1 -11.3 29.1 89 112 A V E -IJ 42 74D 2 -2,-0.6 -15,-3.7 -15,-0.5 2,-0.4 -0.777 21.2-167.9 -88.6 103.5 -14.5 -10.7 26.4 90 113 A L E -IJ 41 73D 0 -49,-2.4 -49,-1.8 -2,-1.0 2,-0.5 -0.807 8.8-158.6 -98.6 133.5 -11.4 -12.5 27.7 91 114 A F E -IJ 40 72D 0 -19,-3.0 -19,-2.5 -2,-0.4 2,-0.9 -0.947 5.2-154.9-111.5 124.1 -8.0 -12.0 26.1 92 115 A N E +IJ 39 71D 2 -53,-3.1 -54,-1.4 -2,-0.5 -53,-1.0 -0.859 21.2 168.5 -96.8 99.3 -5.4 -14.7 26.7 93 116 A F + 0 0 5 -23,-2.3 -1,-0.1 -2,-0.9 -22,-0.1 0.497 45.2 102.3 -88.6 -2.4 -2.2 -12.9 26.3 94 117 A G S S- 0 0 12 -25,-0.5 -56,-0.8 -24,-0.3 -55,-0.1 -0.180 80.2-120.5 -77.2 170.6 -0.1 -15.8 27.6 95 118 A K S S+ 0 0 83 -58,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.564 94.4 66.8 -87.8 -12.3 2.0 -18.3 25.6 96 119 A E S S- 0 0 147 -27,-0.1 -58,-0.2 -60,-0.1 -2,-0.2 -0.791 94.7 -98.0-105.0 152.4 -0.1 -21.2 27.0 97 120 A K - 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