==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-12 4HG3 . COMPND 2 MOLECULE: PROBABLE HYDROLASE NIT2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.LIU,X.QIU,M.ZHANG,Y.GAO,L.NIU,M.TENG . 1200 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 854 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 15.3 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 . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 101 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 316 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.5 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 4 4 3 0 4 2 6 0 0 0 0 0 0 4 0 8 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 16 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 . 2 0 19 0 5 0 6 2 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 2 0 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 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 4 A K 0 0 119 0, 0.0 281,-0.8 0, 0.0 282,-0.4 0.000 360.0 360.0 360.0 -6.5 -8.0 15.4 44.4 2 5 A L E -A 281 0A 100 279,-0.2 2,-0.4 280,-0.1 279,-0.2 -0.832 360.0-154.7-108.1 144.3 -11.4 13.6 44.7 3 6 A K E -A 280 0A 87 277,-2.1 277,-3.3 -2,-0.3 2,-0.5 -0.977 16.4-133.4-121.1 127.0 -13.9 13.1 41.9 4 7 A R E -A 279 0A 99 -2,-0.4 32,-3.2 30,-0.3 33,-0.8 -0.682 22.3-174.6 -90.2 123.6 -17.7 12.7 42.7 5 8 A V E -Ab 278 37A 0 273,-2.7 273,-2.0 -2,-0.5 2,-0.4 -0.871 10.9-152.3-111.2 144.5 -19.7 9.9 41.2 6 9 A A E -Ab 277 38A 0 31,-2.5 33,-2.6 -2,-0.4 2,-0.4 -0.961 6.8-165.8-113.7 136.3 -23.4 9.2 41.5 7 10 A V E -Ab 276 39A 1 269,-2.9 269,-3.0 -2,-0.4 2,-0.3 -0.990 11.4-149.7-122.9 128.1 -25.0 5.8 41.2 8 11 A A E -A 275 0A 0 31,-3.1 2,-0.4 -2,-0.4 267,-0.2 -0.773 9.6-165.8-104.1 140.6 -28.7 5.4 40.7 9 12 A Q E +A 274 0A 6 265,-3.0 265,-2.7 -2,-0.3 2,-0.3 -0.982 25.1 152.4-119.4 134.8 -31.1 2.6 41.8 10 13 A L B -g 221 0B 4 210,-0.8 212,-2.2 -2,-0.4 2,-0.4 -0.903 43.9-119.9-153.0 177.9 -34.6 2.3 40.2 11 14 A C - 0 0 41 -2,-0.3 215,-0.2 210,-0.2 212,-0.1 -0.758 31.3-148.9-132.9 85.0 -37.5 0.0 39.3 12 15 A S - 0 0 2 -2,-0.4 214,-0.2 34,-0.1 2,-0.2 -0.225 11.7-167.3 -57.2 135.3 -38.2 0.1 35.6 13 16 A S - 0 0 19 2,-0.3 34,-1.3 32,-0.2 214,-0.2 -0.422 39.8-101.8-100.1-173.0 -41.8 -0.4 34.4 14 17 A A S S+ 0 0 3 212,-1.4 2,-0.9 214,-0.3 213,-0.1 0.498 98.8 95.6 -86.7 -4.1 -42.9 -1.1 30.8 15 18 A D > - 0 0 60 211,-0.3 4,-2.4 1,-0.2 -2,-0.3 -0.764 56.4-169.5 -94.3 100.5 -43.9 2.5 30.5 16 19 A L H > S+ 0 0 14 -2,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.826 84.9 56.1 -59.0 -36.1 -41.1 4.5 28.9 17 20 A T H > S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 111.3 42.5 -63.2 -46.0 -42.7 7.9 29.7 18 21 A K H > S+ 0 0 139 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.880 113.7 52.5 -68.7 -39.0 -42.9 7.1 33.4 19 22 A N H X S+ 0 0 11 -4,-2.4 4,-2.6 26,-0.2 -2,-0.2 0.907 106.3 54.4 -62.4 -41.2 -39.4 5.6 33.4 20 23 A L H X S+ 0 0 11 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.891 103.9 54.5 -59.9 -43.1 -38.0 8.8 31.8 21 24 A K H X S+ 0 0 112 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.933 110.8 46.0 -54.3 -49.9 -39.5 11.0 34.6 22 25 A V H X S+ 0 0 38 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.928 113.2 49.6 -58.4 -50.2 -37.7 8.9 37.2 23 26 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.913 111.1 49.3 -55.0 -47.6 -34.5 9.0 35.2 24 27 A K H X S+ 0 0 88 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.874 109.5 52.0 -62.5 -39.6 -34.7 12.8 34.8 25 28 A E H X S+ 0 0 107 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.906 110.2 48.2 -63.2 -42.5 -35.3 13.3 38.5 26 29 A L H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.866 111.7 48.8 -68.2 -38.9 -32.2 11.2 39.4 27 30 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.918 110.6 52.2 -64.4 -43.3 -30.0 13.1 37.0 28 31 A S H X S+ 0 0 29 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.911 110.6 47.4 -57.7 -44.7 -31.4 16.4 38.4 29 32 A E H X S+ 0 0 70 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.860 108.7 55.3 -64.7 -37.1 -30.5 15.1 41.9 30 33 A A H <>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 -2,-0.2 0.897 109.6 45.5 -63.2 -42.0 -27.0 14.1 40.7 31 34 A I H ><5S+ 0 0 4 -4,-2.2 3,-1.7 3,-0.2 -2,-0.2 0.916 110.5 55.0 -66.1 -44.1 -26.3 17.6 39.4 32 35 A Q H 3<5S+ 0 0 104 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.880 109.8 45.9 -52.4 -43.3 -27.7 19.1 42.6 33 36 A K T 3<5S- 0 0 96 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.272 118.2-115.4 -89.6 11.1 -25.2 17.0 44.6 34 37 A K T < 5 + 0 0 124 -3,-1.7 2,-0.3 1,-0.2 -30,-0.3 0.809 52.3 166.9 62.9 36.6 -22.4 17.9 42.3 35 38 A A < - 0 0 0 -5,-2.7 -30,-0.2 1,-0.1 -1,-0.2 -0.636 31.4-149.1 -75.8 138.7 -21.7 14.5 40.8 36 39 A D S S+ 0 0 42 -32,-3.2 48,-1.6 -2,-0.3 2,-0.3 0.790 82.6 13.9 -79.6 -31.5 -19.5 14.6 37.7 37 40 A V E -bc 5 84A 0 -33,-0.8 -31,-2.5 46,-0.2 2,-0.4 -0.992 68.1-151.1-142.5 142.0 -21.0 11.5 36.2 38 41 A V E -bc 6 85A 0 46,-2.3 48,-2.7 -2,-0.3 2,-0.5 -0.968 9.7-155.0-116.8 132.9 -24.2 9.6 37.0 39 42 A F E -bc 7 86A 0 -33,-2.6 -31,-3.1 -2,-0.4 48,-0.2 -0.923 10.9-171.7-112.4 122.0 -24.6 5.9 36.4 40 43 A L - 0 0 0 46,-3.2 48,-0.3 -2,-0.5 -31,-0.1 -0.766 26.8 -94.0-113.6 157.8 -28.0 4.3 35.9 41 44 A P > - 0 0 0 0, 0.0 47,-1.5 0, 0.0 3,-0.8 -0.009 45.3 -80.6 -68.7 169.1 -28.9 0.5 35.6 42 45 A E T 3 S+ 0 0 11 177,-0.5 148,-0.2 1,-0.2 48,-0.1 -0.322 115.3 19.3 -54.3 145.7 -29.4 -1.8 32.7 43 46 A A T 3 S+ 0 0 2 46,-0.3 -1,-0.2 65,-0.2 46,-0.2 0.837 71.6 153.2 56.2 42.2 -32.8 -1.4 31.0 44 47 A S S < S+ 0 0 0 44,-2.4 45,-0.2 -3,-0.8 -21,-0.2 0.639 72.3 55.3 -75.1 -15.9 -33.5 2.1 32.5 45 48 A D S S- 0 0 0 43,-0.6 2,-0.3 1,-0.3 -26,-0.2 0.910 125.3 -34.6 -77.7 -47.2 -35.8 2.8 29.4 46 49 A Y - 0 0 0 -34,-0.1 2,-0.3 -27,-0.1 -1,-0.3 -0.987 39.0-143.0-163.1 158.7 -38.0 -0.3 30.0 47 50 A L - 0 0 6 -34,-1.3 2,-0.2 -2,-0.3 -4,-0.0 -0.941 32.3-149.4-119.4 154.6 -38.4 -3.9 31.1 48 51 A S - 0 0 17 -2,-0.3 180,-0.1 1,-0.1 179,-0.1 -0.754 22.3-125.2-125.6 167.2 -40.8 -6.1 29.1 49 52 A Q S S- 0 0 46 -2,-0.2 -1,-0.1 178,-0.2 179,-0.0 0.814 87.0 -17.7 -79.3 -34.7 -43.1 -9.1 29.6 50 53 A N S > S- 0 0 58 93,-0.0 4,-2.3 1,-0.0 -1,-0.2 -0.942 80.5 -78.1-162.1 174.6 -41.6 -11.3 26.9 51 54 A P H > S+ 0 0 45 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.805 127.2 48.9 -57.9 -33.4 -39.4 -11.3 23.7 52 55 A L H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.912 110.4 51.5 -71.6 -40.7 -42.2 -9.9 21.5 53 56 A H H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 106.7 55.0 -58.7 -41.8 -43.0 -7.1 24.0 54 57 A S H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.924 107.2 48.1 -59.1 -47.6 -39.3 -6.2 24.1 55 58 A R H X S+ 0 0 53 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.865 111.4 52.2 -61.4 -38.7 -39.1 -5.6 20.3 56 59 A Y H >< S+ 0 0 59 -4,-1.9 3,-0.6 1,-0.2 4,-0.3 0.931 113.8 42.2 -61.0 -48.0 -42.3 -3.6 20.5 57 60 A L H >X S+ 0 0 1 -4,-2.6 3,-1.9 1,-0.2 4,-0.6 0.844 104.0 65.4 -72.4 -33.0 -40.9 -1.3 23.3 58 61 A A H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.788 92.4 64.3 -57.5 -28.4 -37.5 -1.1 21.6 59 62 A Q T << S+ 0 0 128 -4,-0.9 -1,-0.3 -3,-0.6 4,-0.2 0.720 103.6 47.8 -68.0 -19.2 -39.2 0.8 18.8 60 63 A K T <> S+ 0 0 95 -3,-1.9 4,-1.7 -4,-0.3 -1,-0.2 0.526 91.3 82.6 -95.0 -11.7 -40.0 3.6 21.4 61 64 A S H S+ 0 0 32 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.917 108.5 46.2 -53.0 -41.8 -35.0 6.1 20.1 63 66 A K H > S+ 0 0 123 -4,-0.2 4,-2.5 2,-0.2 5,-0.2 0.921 110.5 52.4 -64.1 -47.7 -37.6 8.7 21.2 64 67 A F H X S+ 0 0 4 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.912 112.1 47.1 -50.1 -47.0 -36.8 8.1 24.9 65 68 A I H X S+ 0 0 7 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.935 110.1 50.3 -66.9 -47.0 -33.1 8.7 24.2 66 69 A R H X S+ 0 0 147 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.896 113.2 47.8 -55.7 -42.0 -33.7 11.9 22.1 67 70 A Q H X S+ 0 0 78 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.865 110.9 51.2 -66.7 -37.8 -35.9 13.2 25.0 68 71 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.915 106.3 53.6 -65.3 -45.7 -33.2 12.2 27.5 69 72 A Q H X S+ 0 0 46 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.931 112.3 45.8 -53.1 -47.3 -30.5 14.0 25.5 70 73 A S H X S+ 0 0 64 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.863 110.3 53.2 -63.2 -41.1 -32.7 17.1 25.7 71 74 A S H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.882 108.1 51.5 -61.9 -41.0 -33.3 16.7 29.4 72 75 A I H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.953 112.3 44.2 -61.7 -51.5 -29.6 16.5 30.1 73 76 A T H X S+ 0 0 50 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.881 113.5 51.8 -63.1 -39.0 -28.9 19.7 28.2 74 77 A D H X S+ 0 0 67 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.920 113.2 44.6 -59.4 -45.7 -31.9 21.4 29.9 75 78 A L H X S+ 0 0 29 -4,-2.5 4,-1.9 2,-0.2 6,-0.2 0.871 113.0 49.9 -69.0 -39.9 -30.6 20.3 33.3 76 79 A V H X>S+ 0 0 14 -4,-2.7 5,-1.5 2,-0.2 4,-0.7 0.925 113.6 47.4 -62.5 -45.9 -27.0 21.3 32.6 77 80 A R H ><5S+ 0 0 154 -4,-2.5 3,-0.7 -5,-0.2 -2,-0.2 0.930 114.4 44.9 -59.0 -49.9 -28.2 24.8 31.3 78 81 A D H 3<5S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.779 118.3 42.5 -72.3 -28.6 -30.5 25.4 34.3 79 82 A N H 3<5S- 0 0 57 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.439 99.4-133.2 -94.8 -1.2 -28.0 24.3 36.9 80 83 A S T <<5S+ 0 0 116 -4,-0.7 2,-0.3 -3,-0.7 -3,-0.2 0.846 73.3 103.6 51.9 38.8 -25.0 26.1 35.3 81 84 A R < - 0 0 76 -5,-1.5 -2,-0.2 -6,-0.2 -1,-0.2 -0.995 68.3-121.2-155.7 137.8 -23.1 22.8 35.7 82 85 A N + 0 0 84 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.0 -0.471 28.2 169.4 -80.4 149.6 -21.9 19.9 33.6 83 86 A I - 0 0 1 -2,-0.2 2,-0.3 -11,-0.0 -46,-0.2 -0.954 20.6-146.1-151.9 146.3 -22.7 16.2 34.1 84 87 A D E -c 37 0A 12 -48,-1.6 -46,-2.3 -2,-0.3 2,-0.4 -0.816 17.3-145.0-107.0 155.9 -22.2 13.1 32.0 85 88 A V E -cD 38 112A 0 27,-3.4 27,-3.4 -2,-0.3 2,-0.5 -0.981 14.3-170.6-130.2 128.0 -24.7 10.2 32.0 86 89 A S E +cD 39 111A 2 -48,-2.7 -46,-3.2 -2,-0.4 2,-0.3 -0.983 26.3 163.4-113.1 124.1 -24.2 6.4 31.7 87 90 A I E - D 0 110A 0 23,-2.3 23,-2.9 -2,-0.5 2,-0.4 -0.996 36.5-125.7-150.2 134.1 -27.5 4.6 31.2 88 91 A G E + D 0 109A 0 -47,-1.5 -44,-2.4 -2,-0.3 -43,-0.6 -0.674 41.9 152.8 -81.1 130.2 -28.7 1.2 30.0 89 92 A V E - D 0 108A 0 19,-3.2 19,-2.2 -2,-0.4 2,-0.3 -0.776 38.3-114.6-137.1-177.9 -31.3 1.2 27.3 90 93 A H E - D 0 107A 12 -2,-0.2 17,-0.2 17,-0.2 54,-0.0 -0.925 23.4-162.9-118.1 152.1 -32.5 -1.0 24.4 91 94 A L E - 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0 0 63 -12,-0.1 40,-0.2 1,-0.1 2,-0.1 -0.379 63.6-108.7 -76.5 156.2 -33.6 -9.0 18.1 105 108 A V E - e 0 144A 0 38,-2.6 40,-2.4 -13,-0.1 2,-0.5 -0.469 25.8-117.1 -84.1 157.7 -33.1 -5.8 20.2 106 109 A R E -De 91 145A 22 -15,-3.7 -15,-2.1 38,-0.2 2,-0.8 -0.831 14.6-144.0 -94.3 128.0 -29.7 -4.4 21.2 107 110 A N E -D 90 0A 3 38,-0.6 17,-3.1 -2,-0.5 2,-0.4 -0.859 36.9-175.6 -91.9 108.2 -29.0 -4.3 25.0 108 111 A V E -DF 89 123A 0 -19,-2.2 -19,-3.2 -2,-0.8 2,-0.7 -0.903 33.0-153.0-124.6 131.3 -27.0 -1.1 25.1 109 112 A L E -DF 88 122A 2 13,-2.8 13,-2.7 -2,-0.4 2,-0.4 -0.905 26.1-156.5 -96.8 115.6 -25.1 1.0 27.6 110 113 A L E -DF 87 121A 0 -23,-2.9 -23,-2.3 -2,-0.7 2,-0.5 -0.755 12.0-160.4 -92.7 136.1 -25.1 4.7 26.5 111 114 A Y E -DF 86 120A 3 9,-2.0 8,-3.0 -2,-0.4 9,-1.2 -0.983 17.4-177.9-110.0 119.5 -22.5 7.2 27.6 112 115 A I E -DF 85 118A 0 -27,-3.4 -27,-3.4 -2,-0.5 6,-0.2 -0.971 13.2-144.6-121.0 127.3 -24.0 10.7 27.0 113 116 A D > - 0 0 24 4,-2.7 3,-2.2 -2,-0.4 -29,-0.1 -0.213 36.8 -89.1 -84.9 178.3 -21.9 13.9 27.7 114 117 A H T 3 S+ 0 0 54 1,-0.3 -38,-0.2 2,-0.2 -30,-0.1 0.675 126.5 58.4 -62.3 -19.6 -23.1 17.3 29.1 115 118 A E T 3 S- 0 0 122 2,-0.1 -1,-0.3 -39,-0.1 3,-0.1 0.338 120.6-108.9 -88.9 6.2 -23.9 18.5 25.5 116 119 A G S < S+ 0 0 5 -3,-2.2 2,-0.4 1,-0.3 -2,-0.2 0.615 71.4 148.2 75.1 13.5 -26.3 15.6 25.1 117 120 A K - 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