==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-DEC-10 3Q1E . COMPND 2 MOLECULE: 5-HYDROXYISOURATE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR L.CENDRON,I.RAMAZZINA,R.PERCUDANI,G.ZANOTTI,R.BERNI . 457 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 55 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 3 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 . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 7 1 0 6 0 8 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 4 4 0 0 0 2 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 7 A S 0 0 104 0, 0.0 51,-0.1 0, 0.0 48,-0.1 0.000 360.0 360.0 360.0 83.2 14.8 16.3 7.5 2 8 A P + 0 0 12 0, 0.0 94,-2.3 0, 0.0 2,-0.4 0.621 360.0 57.7 -74.5 -16.3 16.2 14.3 10.5 3 9 A L E +a 96 0A 3 48,-0.2 47,-0.5 92,-0.2 48,-0.3 -0.970 67.1 163.9-115.1 128.8 13.1 14.3 12.8 4 10 A S E -a 97 0A 31 92,-2.5 94,-2.3 -2,-0.4 2,-0.3 -0.869 13.7-163.8-135.8 176.7 9.8 12.8 11.4 5 11 A T - 0 0 3 -2,-0.2 42,-0.5 92,-0.2 2,-0.3 -0.941 10.7-156.5-156.3 168.8 6.4 11.5 12.7 6 12 A H B -C 46 0B 26 -2,-0.3 94,-3.1 92,-0.3 2,-0.5 -0.912 9.4-155.1-154.6 125.2 3.4 9.5 11.9 7 13 A V E -d 100 0C 0 38,-2.5 9,-3.5 -2,-0.3 2,-0.5 -0.922 12.9-174.8-107.2 123.9 -0.1 9.8 13.5 8 14 A L E -dE 101 15C 16 92,-2.5 94,-2.9 -2,-0.5 2,-1.0 -0.982 22.4-141.3-120.1 122.8 -2.3 6.7 13.4 9 15 A N E >>> -dE 102 14C 1 5,-2.2 4,-1.6 -2,-0.5 5,-1.1 -0.763 17.8-170.1 -77.1 101.6 -5.9 6.7 14.6 10 16 A A T 345S+ 0 0 2 92,-2.4 442,-0.8 -2,-1.0 93,-0.2 0.674 78.9 61.9 -70.6 -19.3 -6.0 3.3 16.3 11 17 A A T 345S+ 0 0 16 91,-0.7 440,-0.3 1,-0.2 -1,-0.2 0.745 121.3 21.9 -79.0 -22.8 -9.8 3.4 16.7 12 18 A Q T <45S- 0 0 68 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.2 0.460 96.1-127.4-121.0 -9.1 -10.4 3.6 13.0 13 19 A G T <5S+ 0 0 3 -4,-1.6 -3,-0.2 1,-0.2 327,-0.0 0.898 71.6 120.4 53.2 39.6 -7.2 2.2 11.5 14 20 A V E - 0 0 68 4,-3.0 3,-2.2 -25,-0.2 -24,-0.2 -0.098 39.2 -75.9 -83.5-174.7 -1.1 15.4 5.8 43 49 A D T 3 S+ 0 0 152 1,-0.3 -26,-0.2 -26,-0.2 -2,-0.1 0.804 133.1 50.9 -51.4 -36.4 -3.6 12.8 4.4 44 50 A D T 3 S- 0 0 61 2,-0.1 -1,-0.3 -28,-0.1 -28,-0.2 0.243 120.0-107.7 -91.8 12.7 -1.1 10.0 5.3 45 51 A G S < S+ 0 0 0 -3,-2.2 -38,-2.5 1,-0.3 2,-0.2 0.630 79.7 124.4 77.4 13.1 -0.7 11.2 8.9 46 52 A R B -C 6 0B 105 -40,-0.2 -4,-3.0 -6,-0.1 -1,-0.3 -0.645 49.1-155.7-107.4 162.2 2.8 12.6 8.3 47 53 A C - 0 0 11 -42,-0.5 3,-0.3 -6,-0.2 -6,-0.1 -0.697 16.9-165.2-138.2 80.0 4.5 16.0 8.8 48 54 A P + 0 0 106 0, 0.0 -44,-0.1 0, 0.0 -2,-0.0 -0.231 67.4 31.7 -68.1 156.1 7.6 16.6 6.6 49 55 A G + 0 0 50 2,-0.1 3,-0.1 -46,-0.1 -45,-0.1 0.931 63.1 153.1 66.7 42.7 10.1 19.4 7.2 50 56 A L S S- 0 0 0 -47,-0.5 2,-0.3 -3,-0.3 -27,-0.1 0.798 73.6 -16.1 -67.2 -27.1 9.7 19.4 11.0 51 57 A I - 0 0 10 -48,-0.3 2,-0.3 5,-0.0 -1,-0.2 -0.958 68.7-114.9-168.7 167.1 13.2 20.8 11.2 52 58 A T >> - 0 0 71 -2,-0.3 4,-0.9 -51,-0.1 3,-0.9 -0.738 28.3-114.9-111.9 161.2 16.4 21.3 9.2 53 59 A K G >4 S+ 0 0 108 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.881 118.6 58.8 -61.1 -37.6 19.9 19.7 9.7 54 60 A E G 34 S+ 0 0 170 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.744 114.3 37.2 -58.3 -27.6 21.2 23.3 10.3 55 61 A N G <4 S+ 0 0 92 -3,-0.9 2,-1.1 1,-0.1 -1,-0.2 0.481 91.4 96.7-103.1 -7.1 18.7 23.5 13.3 56 62 A F << + 0 0 2 -4,-0.9 2,-0.2 -3,-0.6 -1,-0.1 -0.702 50.9 155.3 -98.5 87.9 18.9 19.9 14.7 57 63 A I - 0 0 89 -2,-1.1 32,-0.1 1,-0.1 34,-0.1 -0.692 51.4 -81.3-108.3 159.4 21.3 20.0 17.6 58 64 A A S S+ 0 0 58 -2,-0.2 2,-0.3 32,-0.1 32,-0.2 -0.273 81.4 89.7 -52.9 146.8 21.7 17.8 20.6 59 65 A G E S- M 0 89D 27 30,-1.7 30,-2.7 -3,-0.1 2,-0.5 -0.962 79.7 -53.9 152.7-168.7 19.3 18.8 23.4 60 66 A V E - M 0 88D 31 -34,-0.3 -34,-2.4 -2,-0.3 2,-0.3 -0.921 51.0-168.5-108.5 131.2 15.8 18.0 24.8 61 67 A Y E -LM 25 87D 0 26,-2.6 26,-2.2 -2,-0.5 2,-0.4 -0.840 9.1-157.7-117.0 158.1 12.9 18.3 22.4 62 68 A K E -LM 24 86D 15 -38,-2.1 -38,-2.7 -2,-0.3 2,-0.5 -0.998 1.5-164.0-134.9 131.6 9.1 18.3 22.9 63 69 A M E -LM 23 85D 0 22,-2.9 22,-2.1 -2,-0.4 2,-0.6 -0.963 10.1-159.4-109.8 121.3 6.4 17.5 20.3 64 70 A R E -LM 22 84D 65 -42,-3.0 -42,-2.0 -2,-0.5 2,-0.5 -0.875 4.0-160.5-102.2 123.3 2.9 18.7 21.3 65 71 A F E -LM 21 83D 0 18,-3.8 2,-2.1 -2,-0.6 18,-1.9 -0.869 17.0-137.2-102.5 128.6 0.2 16.9 19.5 66 72 A E > + 0 0 14 -46,-2.7 4,-1.8 -2,-0.5 -46,-0.3 -0.431 42.7 154.8 -85.2 71.2 -3.2 18.6 19.4 67 73 A T H > + 0 0 0 -2,-2.1 4,-2.6 2,-0.2 5,-0.3 0.882 67.9 54.4 -70.6 -40.5 -5.3 15.5 20.1 68 74 A G H > S+ 0 0 20 13,-1.5 4,-2.4 -3,-0.3 -1,-0.2 0.949 111.3 44.9 -59.2 -52.2 -8.3 17.3 21.7 69 75 A K H > S+ 0 0 128 12,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.872 113.1 52.6 -54.5 -42.6 -8.7 19.6 18.7 70 76 A Y H X S+ 0 0 16 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.924 113.3 41.1 -60.6 -49.6 -8.3 16.5 16.3 71 77 A W H ><>S+ 0 0 1 -4,-2.6 5,-2.0 1,-0.2 3,-0.5 0.919 111.6 56.9 -70.7 -42.4 -11.0 14.4 18.0 72 78 A D H ><5S+ 0 0 120 -4,-2.4 3,-1.2 -5,-0.3 -1,-0.2 0.867 103.7 54.2 -53.0 -40.9 -13.3 17.5 18.3 73 79 A A H 3<5S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.809 107.6 50.1 -66.8 -28.1 -13.1 18.0 14.5 74 80 A L T <<5S- 0 0 85 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.461 124.8-107.2 -86.0 -0.2 -14.3 14.4 14.1 75 81 A G T < 5S+ 0 0 66 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.713 82.8 104.3 85.9 25.6 -17.2 15.1 16.5 76 82 A E < - 0 0 81 -5,-2.0 -1,-0.3 -8,-0.1 -2,-0.2 -0.913 66.1-114.7-138.9 157.4 -15.9 13.2 19.6 77 83 A T - 0 0 99 -2,-0.3 2,-0.3 -3,-0.1 3,-0.1 -0.427 22.8-148.9 -84.9 165.3 -14.4 14.0 23.0 78 84 A C - 0 0 21 -2,-0.1 125,-0.2 1,-0.1 27,-0.2 -0.989 16.3-140.9-136.8 135.8 -10.8 13.0 24.1 79 85 A F S S+ 0 0 14 25,-2.3 124,-2.1 -2,-0.3 26,-0.1 0.866 96.1 58.0 -56.6 -34.3 -9.6 12.1 27.6 80 86 A Y - 0 0 0 24,-0.4 122,-0.2 122,-0.2 3,-0.1 -0.833 67.4-161.3 -99.1 123.6 -6.4 14.0 26.8 81 87 A P S S- 0 0 38 0, 0.0 -13,-1.5 0, 0.0 -12,-0.5 0.859 81.4 -11.6 -72.3 -26.1 -6.6 17.7 25.7 82 88 A Y - 0 0 29 119,-0.3 119,-0.4 -15,-0.2 2,-0.4 -0.967 64.5-135.4-159.6 164.3 -3.1 17.4 24.2 83 89 A V E -M 65 0D 1 -18,-1.9 -18,-3.8 -2,-0.3 2,-0.4 -0.998 15.4-168.4-129.3 127.4 -0.2 15.0 24.2 84 90 A E E -M 64 0D 22 115,-0.5 2,-0.5 -2,-0.4 115,-0.4 -0.949 3.1-164.7-118.0 130.4 3.4 16.1 24.6 85 91 A I E -M 63 0D 0 -22,-2.1 -22,-2.9 -2,-0.4 2,-0.4 -0.987 8.4-167.6-115.7 126.9 6.2 13.7 24.0 86 92 A V E +M 62 0D 5 -2,-0.5 2,-0.3 111,-0.4 111,-0.3 -0.926 14.1 165.0-119.5 138.1 9.5 14.8 25.3 87 93 A F E -M 61 0D 0 -26,-2.2 -26,-2.6 -2,-0.4 2,-0.5 -0.990 32.7-115.5-157.6 152.4 12.8 13.2 24.4 88 94 A T E -M 60 0D 45 106,-2.5 2,-0.6 -2,-0.3 -28,-0.2 -0.837 17.0-159.1-103.9 127.7 16.6 13.5 24.4 89 95 A I E +M 59 0D 2 -30,-2.7 -30,-1.7 -2,-0.5 3,-0.1 -0.881 22.9 159.0-102.9 117.1 18.7 13.8 21.2 90 96 A T + 0 0 117 -2,-0.6 2,-0.4 1,-0.2 -32,-0.1 0.606 64.5 47.4-110.8 -17.6 22.3 12.8 21.8 91 97 A N > - 0 0 67 -34,-0.1 3,-1.1 1,-0.1 -1,-0.2 -0.933 57.7-167.3-139.9 106.5 23.5 12.0 18.3 92 98 A T T 3 S+ 0 0 44 -2,-0.4 -1,-0.1 1,-0.2 -36,-0.1 0.554 80.9 68.9 -72.7 -14.3 22.8 14.3 15.4 93 99 A S T 3 S+ 0 0 109 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.525 88.2 91.1 -82.8 -5.3 23.7 11.9 12.5 94 100 A Q S < S- 0 0 75 -3,-1.1 2,-0.4 19,-0.0 19,-0.0 -0.571 74.8-128.1 -93.5 153.0 20.7 9.8 13.4 95 101 A H - 0 0 62 -2,-0.2 2,-0.5 -92,-0.0 -92,-0.2 -0.820 22.0-159.3 -94.7 138.7 17.2 9.8 12.1 96 102 A Y E -a 3 0A 6 -94,-2.3 -92,-2.5 -2,-0.4 2,-0.5 -0.989 8.2-170.4-124.7 114.9 14.4 9.9 14.8 97 103 A H E -aB 4 112A 40 15,-1.6 15,-2.7 -2,-0.5 -92,-0.2 -0.952 6.2-178.9-103.8 128.1 10.9 8.9 14.0 98 104 A V + 0 0 0 -94,-2.3 -92,-0.3 -2,-0.5 13,-0.1 -0.846 15.4 178.6-133.5 82.9 8.6 9.8 16.9 99 105 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 11,-0.3 -0.303 20.6-138.8 -90.9 176.1 5.1 8.6 16.0 100 106 A L E -d 7 0C 3 -94,-3.1 -92,-2.5 9,-0.1 2,-0.5 -0.988 7.7-166.9-138.2 122.4 1.8 8.7 17.8 101 107 A L E +dF 8 108C 33 7,-1.9 7,-1.6 -2,-0.4 2,-0.4 -0.971 29.1 179.9-104.5 123.2 -0.9 5.9 17.9 102 108 A L E +dF 9 107C 1 -94,-2.9 -92,-2.4 -2,-0.5 -91,-0.7 -0.941 25.2 166.0-133.7 142.1 -4.0 7.4 19.3 103 109 A S E > - F 0 106C 1 3,-2.7 3,-0.5 -2,-0.4 255,-0.1 -0.788 56.8 -89.2-129.3-168.2 -7.6 6.6 20.3 104 110 A R T 3 S+ 0 0 59 254,-0.3 -25,-2.3 -2,-0.3 -24,-0.4 0.751 125.1 22.8 -67.9 -23.2 -10.0 8.6 22.3 105 111 A F T 3 S+ 0 0 30 252,-0.7 121,-2.2 -27,-0.2 2,-0.3 0.095 123.1 42.1-134.8 16.2 -8.9 7.1 25.6 106 112 A S E < -FG 103 225C 16 -3,-0.5 -3,-2.7 119,-0.2 2,-0.3 -0.988 50.3-179.7-159.1 160.4 -5.4 5.8 24.9 107 113 A Y E -FG 102 224C 3 117,-2.1 117,-2.3 -2,-0.3 2,-0.3 -0.974 3.6-169.5-161.7 162.9 -2.1 6.5 23.3 108 114 A S E -FG 101 223C 23 -7,-1.6 -7,-1.9 -2,-0.3 2,-0.3 -0.987 1.7-167.6-152.9 145.8 1.3 5.1 22.7 109 115 A T E - G 0 222C 2 113,-2.9 113,-2.1 -2,-0.3 2,-0.3 -0.990 2.7-175.7-140.6 152.8 4.8 6.1 21.3 110 116 A T E - G 0 221C 10 -2,-0.3 2,-0.6 -11,-0.3 111,-0.3 -0.998 32.2-115.8-140.8 140.6 8.0 4.5 20.3 111 117 A R + 0 0 21 109,-3.3 2,-0.2 -2,-0.3 -13,-0.2 -0.695 48.6 170.5 -70.8 122.8 11.5 5.7 19.2 112 118 A G B B 97 0A 5 -15,-2.7 -15,-1.6 -2,-0.6 126,-0.0 -0.639 360.0 360.0-120.3-171.5 11.8 4.5 15.5 113 119 A S 0 0 76 -17,-0.2 -17,-0.1 -2,-0.2 131,-0.0 -0.990 360.0 360.0-148.7 360.0 14.2 5.1 12.7 114 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 115 6 B L 0 0 219 0, 0.0 53,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -15.9 -9.8 5.5 48.8 116 7 B S - 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