==== 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 08-OCT-12 4HGD . 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 . 1193 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 843 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 188 15.8 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 . 95 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.4 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 1 4 3 0 4 4 4 0 0 0 0 0 0 4 0 8 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 2 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 . 4 0 18 1 5 0 7 1 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 . 4 4 0 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 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 5 A L 0 0 108 0, 0.0 2,-0.5 0, 0.0 278,-0.2 0.000 360.0 360.0 360.0 83.1 -12.1 -36.6 -5.7 2 6 A K E -A 278 0A 96 276,-2.0 276,-3.4 155,-0.1 2,-0.4 -0.951 360.0-133.9-103.9 123.2 -14.1 -36.0 -2.5 3 7 A R E -A 277 0A 76 -2,-0.5 32,-3.1 30,-0.3 33,-0.9 -0.655 22.2-173.6 -89.7 125.2 -17.8 -35.4 -3.4 4 8 A V E -Ab 276 36A 0 272,-3.0 272,-1.9 -2,-0.4 2,-0.4 -0.844 10.4-152.5-109.6 149.4 -19.9 -32.6 -1.8 5 9 A A E -Ab 275 37A 0 31,-2.3 33,-2.9 -2,-0.3 2,-0.5 -0.987 5.3-164.8-118.6 132.8 -23.6 -31.9 -2.2 6 10 A V E -Ab 274 38A 0 268,-2.8 268,-2.9 -2,-0.4 2,-0.4 -0.981 13.9-149.4-117.0 126.1 -25.1 -28.4 -1.8 7 11 A A E -A 273 0A 0 31,-3.0 2,-0.4 -2,-0.5 266,-0.2 -0.760 10.2-164.4-102.0 140.6 -28.8 -28.2 -1.3 8 12 A Q E +A 272 0A 8 264,-2.9 264,-2.3 -2,-0.4 2,-0.3 -0.984 25.3 153.4-118.4 132.0 -31.2 -25.4 -2.4 9 13 A L B -f 220 0B 5 210,-0.8 212,-2.3 -2,-0.4 2,-0.4 -0.869 42.9-119.8-147.9 178.7 -34.7 -25.3 -0.8 10 14 A C - 0 0 46 -2,-0.3 215,-0.2 210,-0.2 2,-0.1 -0.837 31.3-146.8-130.9 92.0 -37.6 -23.0 0.1 11 15 A S - 0 0 2 -2,-0.4 2,-0.2 34,-0.1 214,-0.1 -0.340 13.4-168.9 -66.8 135.2 -38.3 -23.0 3.8 12 16 A S - 0 0 20 2,-0.3 34,-1.4 212,-0.2 214,-0.2 -0.381 40.4-102.0 -98.3-174.3 -41.9 -22.5 5.1 13 17 A A S S+ 0 0 4 212,-1.4 2,-0.8 214,-0.3 213,-0.1 0.378 98.7 94.9 -87.5 1.7 -43.0 -21.9 8.7 14 18 A D > - 0 0 63 211,-0.3 4,-2.5 1,-0.2 -2,-0.3 -0.823 55.8-170.4-101.0 101.9 -44.0 -25.6 8.9 15 19 A L H > S+ 0 0 13 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.782 85.0 56.7 -61.3 -31.8 -41.1 -27.5 10.5 16 20 A T H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.930 111.6 41.4 -66.5 -47.0 -42.7 -30.9 9.7 17 21 A K H > S+ 0 0 142 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.899 114.6 52.4 -66.4 -41.1 -42.9 -30.1 6.0 18 22 A N H X S+ 0 0 11 -4,-2.5 4,-2.1 26,-0.2 -2,-0.2 0.883 107.0 53.0 -60.8 -39.6 -39.4 -28.6 6.0 19 23 A L H X S+ 0 0 10 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.893 105.1 54.7 -63.9 -41.0 -38.0 -31.7 7.7 20 24 A K H X S+ 0 0 90 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.923 109.3 47.1 -56.7 -48.4 -39.5 -34.0 4.9 21 25 A V H X S+ 0 0 42 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.923 112.7 50.1 -58.9 -45.8 -37.8 -31.9 2.2 22 26 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.926 109.9 49.7 -60.8 -48.1 -34.5 -32.1 4.2 23 27 A K H X S+ 0 0 87 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.888 111.2 49.7 -57.4 -43.1 -34.7 -35.9 4.6 24 28 A E H X S+ 0 0 104 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.888 110.8 49.9 -64.7 -40.4 -35.4 -36.3 0.9 25 29 A L H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.877 112.0 47.2 -66.1 -38.7 -32.4 -34.1 -0.0 26 30 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.921 111.5 51.4 -68.0 -41.9 -30.1 -36.1 2.3 27 31 A S H X S+ 0 0 29 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.918 110.9 48.1 -58.7 -46.6 -31.4 -39.4 0.9 28 32 A E H X S+ 0 0 58 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.880 109.1 54.3 -58.7 -42.9 -30.7 -38.1 -2.6 29 33 A A H <>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 -2,-0.2 0.862 108.3 48.5 -61.9 -39.7 -27.2 -37.0 -1.6 30 34 A I H ><5S+ 0 0 2 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.924 110.0 51.2 -65.9 -46.2 -26.3 -40.4 -0.3 31 35 A Q H 3<5S+ 0 0 118 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.809 108.8 53.0 -58.8 -32.0 -27.6 -42.1 -3.5 32 36 A K T 3<5S- 0 0 89 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.270 118.7-113.1 -92.1 10.8 -25.4 -39.7 -5.4 33 37 A K T < 5 + 0 0 112 -3,-1.8 -30,-0.3 1,-0.2 2,-0.2 0.686 57.8 160.9 68.7 23.2 -22.3 -40.7 -3.4 34 38 A A < - 0 0 0 -5,-2.7 -1,-0.2 -6,-0.1 -30,-0.2 -0.548 30.2-158.0 -71.3 138.9 -21.9 -37.3 -1.7 35 39 A D S S+ 0 0 24 -32,-3.1 48,-1.5 1,-0.3 2,-0.3 0.731 79.4 19.2 -93.1 -27.2 -19.7 -37.6 1.5 36 40 A V E -bc 4 83A 0 -33,-0.9 -31,-2.3 46,-0.2 2,-0.4 -0.991 68.8-154.6-139.6 142.0 -21.1 -34.4 3.0 37 41 A V E -bc 5 84A 0 46,-2.2 48,-2.6 -2,-0.3 2,-0.5 -0.965 7.6-155.7-117.6 133.3 -24.3 -32.5 2.3 38 42 A F E -bc 6 85A 0 -33,-2.9 -31,-3.0 -2,-0.4 48,-0.2 -0.939 11.0-171.8-114.0 121.0 -24.6 -28.7 3.0 39 43 A L - 0 0 0 46,-3.5 48,-0.3 -2,-0.5 -31,-0.1 -0.752 26.6 -93.3-112.7 158.4 -28.1 -27.2 3.5 40 44 A P > - 0 0 0 0, 0.0 47,-1.5 0, 0.0 3,-0.8 -0.020 43.6 -81.0 -70.5 167.7 -29.0 -23.5 3.9 41 45 A E T 3 S+ 0 0 10 177,-0.4 148,-0.2 1,-0.2 47,-0.1 -0.334 116.0 18.2 -50.9 144.3 -29.5 -21.0 6.8 42 46 A A T 3 S+ 0 0 2 46,-0.2 -1,-0.2 65,-0.2 46,-0.2 0.840 72.0 153.3 53.4 42.9 -32.9 -21.5 8.4 43 47 A S S < S+ 0 0 1 44,-2.7 45,-0.2 -3,-0.8 -21,-0.2 0.652 72.3 56.2 -71.4 -16.0 -33.6 -24.9 6.9 44 48 A D S S- 0 0 0 43,-0.7 2,-0.3 1,-0.3 -26,-0.2 0.898 124.4 -38.7 -81.3 -42.3 -35.9 -25.6 9.9 45 49 A Y - 0 0 0 -34,-0.1 2,-0.3 -27,-0.1 -1,-0.3 -0.976 38.5-138.4-169.4 158.8 -38.1 -22.6 9.4 46 50 A L - 0 0 10 -34,-1.4 2,-0.3 -2,-0.3 199,-0.0 -0.950 32.4-145.5-119.3 154.0 -38.6 -19.0 8.4 47 51 A S - 0 0 22 -2,-0.3 180,-0.1 1,-0.1 179,-0.1 -0.765 20.7-128.4-123.1 160.8 -40.9 -16.8 10.4 48 52 A Q S S- 0 0 46 178,-0.3 -1,-0.1 -2,-0.3 179,-0.0 0.820 87.4 -20.2 -73.0 -35.1 -43.4 -13.9 9.9 49 53 A N S > S- 0 0 51 93,-0.0 4,-2.4 1,-0.0 -1,-0.2 -0.941 80.1 -76.8-162.9 175.7 -41.9 -11.7 12.6 50 54 A P H > S+ 0 0 42 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.807 127.8 50.1 -56.3 -33.7 -39.7 -11.7 15.8 51 55 A L H > S+ 0 0 119 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.901 110.6 49.4 -70.5 -41.1 -42.6 -13.1 17.9 52 56 A H H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.899 107.6 55.9 -63.0 -41.4 -43.2 -15.9 15.4 53 57 A S H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.901 108.0 46.7 -57.7 -46.3 -39.5 -16.7 15.3 54 58 A R H X S+ 0 0 53 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.884 112.3 50.7 -64.4 -42.6 -39.4 -17.3 19.1 55 59 A Y H >< S+ 0 0 62 -4,-2.0 3,-0.7 1,-0.2 4,-0.3 0.933 114.5 44.0 -57.1 -47.9 -42.6 -19.4 19.0 56 60 A L H >X S+ 0 0 0 -4,-2.8 3,-2.2 1,-0.2 4,-0.6 0.856 101.3 66.2 -71.9 -35.9 -41.1 -21.5 16.2 57 61 A A H >< S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.749 91.5 66.6 -56.6 -25.3 -37.6 -21.9 17.8 58 62 A Q T << S+ 0 0 128 -4,-0.8 -1,-0.3 -3,-0.7 4,-0.3 0.752 101.0 47.9 -66.2 -24.4 -39.4 -23.9 20.6 59 63 A K T <> S+ 0 0 92 -3,-2.2 4,-1.6 -4,-0.3 3,-0.3 0.586 91.9 84.8 -89.9 -12.9 -40.1 -26.6 18.0 60 64 A S H S+ 0 0 43 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.900 108.6 47.8 -57.0 -38.4 -35.0 -29.1 19.2 62 66 A K H > S+ 0 0 36 -3,-0.3 4,-2.4 -4,-0.3 5,-0.2 0.895 109.0 53.7 -66.1 -43.4 -37.6 -31.8 18.2 63 67 A F H X S+ 0 0 5 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.930 110.6 48.3 -49.6 -50.3 -36.8 -31.1 14.5 64 68 A I H X S+ 0 0 9 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.885 109.9 49.2 -64.4 -43.8 -33.1 -31.7 15.3 65 69 A R H X S+ 0 0 155 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.928 113.1 47.7 -61.7 -45.4 -33.6 -34.9 17.2 66 70 A Q H X S+ 0 0 110 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.874 111.5 51.4 -62.8 -38.2 -35.8 -36.3 14.4 67 71 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.925 106.9 53.2 -62.5 -46.0 -33.1 -35.2 11.9 68 72 A Q H X S+ 0 0 48 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.904 112.0 45.8 -54.7 -45.2 -30.4 -37.0 13.9 69 73 A S H X S+ 0 0 68 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.881 110.0 53.0 -65.7 -43.0 -32.4 -40.2 13.8 70 74 A S H X S+ 0 0 11 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.894 106.2 54.8 -59.6 -41.6 -33.2 -39.9 10.1 71 75 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.924 110.5 43.8 -58.3 -48.3 -29.5 -39.5 9.3 72 76 A T H X S+ 0 0 52 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.845 114.1 51.7 -68.0 -34.9 -28.6 -42.8 11.1 73 77 A D H X S+ 0 0 63 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.945 112.5 44.6 -61.8 -50.7 -31.6 -44.5 9.4 74 78 A L H X S+ 0 0 29 -4,-3.1 4,-1.9 2,-0.2 6,-0.3 0.876 112.6 51.3 -64.5 -41.6 -30.6 -43.4 6.0 75 79 A V H X>S+ 0 0 19 -4,-2.5 5,-1.4 -5,-0.2 4,-0.9 0.908 115.1 43.8 -58.5 -45.8 -26.9 -44.3 6.6 76 80 A R H <5S+ 0 0 151 -4,-2.1 3,-0.4 2,-0.2 -2,-0.2 0.942 114.3 48.8 -63.1 -50.2 -28.1 -47.8 7.8 77 81 A D H <5S+ 0 0 106 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.745 120.7 35.7 -67.9 -27.5 -30.6 -48.2 4.9 78 82 A N H <5S- 0 0 63 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.519 100.0-132.4 -98.5 -10.1 -28.0 -47.2 2.2 79 83 A S T <5S+ 0 0 112 -4,-0.9 2,-0.3 -3,-0.4 -3,-0.2 0.869 72.3 107.8 54.2 41.7 -25.0 -48.8 3.9 80 84 A R < - 0 0 79 -5,-1.4 -2,-0.2 -6,-0.3 -1,-0.2 -0.989 66.1-122.9-151.0 137.0 -23.1 -45.6 3.3 81 85 A N + 0 0 84 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.0 -0.472 29.0 168.2 -81.2 148.6 -21.9 -42.7 5.5 82 86 A I - 0 0 1 -2,-0.2 2,-0.3 -11,-0.1 -46,-0.2 -0.962 21.0-146.9-153.2 144.5 -22.8 -39.0 5.1 83 87 A D E -c 36 0A 10 -48,-1.5 -46,-2.2 -2,-0.3 2,-0.4 -0.797 17.9-143.7-105.6 158.2 -22.3 -35.9 7.3 84 88 A V E -cD 37 111A 0 27,-3.6 27,-3.6 -2,-0.3 2,-0.5 -0.984 14.3-170.1-132.0 129.4 -24.8 -33.0 7.4 85 89 A S E +cD 38 110A 1 -48,-2.6 -46,-3.5 -2,-0.4 2,-0.3 -0.982 25.8 162.5-115.5 122.9 -24.3 -29.3 7.7 86 90 A I E - D 0 109A 0 23,-2.1 23,-3.0 -2,-0.5 2,-0.5 -0.999 36.3-125.8-149.5 134.9 -27.6 -27.4 8.2 87 91 A G E + D 0 108A 1 -47,-1.5 -44,-2.7 -2,-0.3 -43,-0.7 -0.716 41.1 155.4 -85.2 125.9 -28.8 -24.0 9.4 88 92 A V E - D 0 107A 0 19,-3.4 19,-2.6 -2,-0.5 2,-0.3 -0.742 37.0-114.7-133.3 179.7 -31.4 -24.0 12.2 89 93 A H E - D 0 106A 13 -2,-0.2 17,-0.2 17,-0.2 15,-0.0 -0.897 23.1-163.1-115.2 152.6 -32.7 -21.9 15.0 90 94 A L E - 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