==== 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 18-SEP-12 4H5U . 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 . 1203 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 843 70.1 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 . 177 14.7 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 . 11 0.9 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 . 91 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 318 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.6 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 5 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 . 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 . 2 0 18 0 5 1 7 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 . 5 2 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 0 153 0, 0.0 2,-0.4 0, 0.0 279,-0.2 0.000 360.0 360.0 360.0 140.1 24.8 -5.9 6.1 2 6 A K E -A 279 0A 74 277,-2.1 277,-3.4 155,-0.1 2,-0.4 -0.982 360.0-130.9-123.5 130.2 22.2 -6.3 3.4 3 7 A R E -A 278 0A 82 -2,-0.4 32,-2.9 30,-0.3 33,-0.8 -0.664 22.8-174.0 -89.6 127.3 18.5 -6.8 4.2 4 8 A V E -Ab 277 36A 0 273,-2.9 273,-2.0 -2,-0.4 2,-0.4 -0.885 10.5-153.3-114.6 146.6 16.4 -9.6 2.7 5 9 A A E -Ab 276 37A 0 31,-2.4 33,-2.5 -2,-0.3 2,-0.4 -0.965 6.2-166.4-115.9 139.2 12.6 -10.3 2.9 6 10 A V E -Ab 275 38A 0 269,-2.7 269,-2.8 -2,-0.4 2,-0.3 -0.995 12.3-148.7-125.9 123.6 11.1 -13.7 2.5 7 11 A A E -A 274 0A 0 31,-3.3 2,-0.4 -2,-0.4 267,-0.2 -0.722 8.8-164.4 -96.9 142.3 7.4 -14.1 2.0 8 12 A Q E +A 273 0A 6 265,-2.9 265,-2.3 -2,-0.3 2,-0.3 -0.980 25.6 155.7-118.1 134.8 5.1 -16.9 3.1 9 13 A L B -g 220 0B 5 210,-0.9 212,-2.1 -2,-0.4 2,-0.4 -0.910 42.9-123.4-151.6 176.1 1.6 -17.2 1.5 10 14 A C - 0 0 41 -2,-0.3 215,-0.2 210,-0.2 212,-0.1 -0.798 31.7-149.9-131.8 87.8 -1.3 -19.5 0.6 11 15 A S - 0 0 2 -2,-0.4 214,-0.2 31,-0.1 2,-0.2 -0.279 10.9-166.6 -63.2 138.5 -2.1 -19.4 -3.1 12 16 A S - 0 0 19 2,-0.3 34,-1.3 212,-0.2 214,-0.2 -0.429 39.6-101.9-101.4-173.2 -5.6 -19.9 -4.4 13 17 A A S S+ 0 0 3 212,-1.3 2,-0.8 214,-0.3 213,-0.1 0.465 98.7 95.6 -85.9 -3.1 -6.7 -20.6 -7.9 14 18 A D > - 0 0 61 211,-0.3 4,-2.4 1,-0.2 -2,-0.3 -0.788 56.4-169.6 -95.7 103.4 -7.8 -16.9 -8.2 15 19 A L H > S+ 0 0 14 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.818 85.2 55.4 -63.8 -34.1 -4.9 -14.9 -9.8 16 20 A T H > S+ 0 0 108 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.911 111.7 43.1 -63.9 -45.1 -6.5 -11.5 -9.0 17 21 A K H > S+ 0 0 138 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.891 114.3 51.0 -68.9 -39.8 -6.8 -12.4 -5.3 18 22 A N H X S+ 0 0 10 -4,-2.4 4,-2.7 26,-0.2 -2,-0.2 0.906 107.5 53.6 -62.9 -41.4 -3.2 -13.8 -5.3 19 23 A L H X S+ 0 0 12 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.908 105.2 54.3 -59.1 -42.2 -1.9 -10.7 -6.9 20 24 A K H X S+ 0 0 130 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.926 110.8 45.2 -59.0 -47.7 -3.4 -8.5 -4.2 21 25 A V H X S+ 0 0 40 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.932 113.3 50.6 -59.0 -49.3 -1.6 -10.6 -1.5 22 26 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.915 110.0 50.1 -55.2 -47.5 1.7 -10.5 -3.5 23 27 A K H X S+ 0 0 89 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.880 109.5 51.3 -59.9 -41.3 1.4 -6.7 -3.9 24 28 A E H X S+ 0 0 98 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.896 110.2 48.8 -63.9 -42.4 0.8 -6.2 -0.1 25 29 A L H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.879 112.1 47.7 -66.8 -39.6 3.8 -8.3 0.8 26 30 A I H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.921 111.0 52.4 -66.0 -43.4 6.1 -6.4 -1.6 27 31 A S H X S+ 0 0 26 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.912 110.7 46.9 -56.6 -46.3 4.7 -3.1 -0.2 28 32 A E H X S+ 0 0 65 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.904 108.9 55.9 -61.7 -42.6 5.6 -4.3 3.3 29 33 A A H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 -2,-0.2 0.905 109.2 45.5 -56.6 -46.0 9.0 -5.4 2.2 30 34 A I H ><5S+ 0 0 2 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.892 110.6 53.8 -64.5 -42.1 9.8 -1.9 0.8 31 35 A Q H 3<5S+ 0 0 104 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.833 109.5 48.2 -61.6 -32.5 8.5 -0.3 4.0 32 36 A K T 3<5S- 0 0 91 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.342 117.8-118.0 -89.2 4.0 10.8 -2.5 6.0 33 37 A K T < 5 + 0 0 122 -3,-1.5 -30,-0.3 1,-0.2 2,-0.3 0.807 51.7 165.8 64.0 34.9 13.7 -1.5 3.6 34 38 A A < - 0 0 0 -5,-2.5 -30,-0.2 -6,-0.1 -1,-0.2 -0.611 32.7-147.7 -73.1 139.9 14.5 -5.0 2.3 35 39 A D S S+ 0 0 45 -32,-2.9 48,-1.6 1,-0.3 2,-0.3 0.814 82.3 14.2 -79.5 -33.5 16.7 -4.8 -0.8 36 40 A V E -bc 4 83A 0 -33,-0.8 -31,-2.4 46,-0.2 2,-0.4 -0.995 67.8-151.3-140.8 142.8 15.1 -7.9 -2.4 37 41 A V E -bc 5 84A 0 46,-2.3 48,-2.7 -2,-0.3 2,-0.5 -0.968 8.9-155.8-117.6 132.9 11.9 -9.9 -1.6 38 42 A F E -bc 6 85A 0 -33,-2.5 -31,-3.3 -2,-0.4 48,-0.2 -0.930 10.6-172.1-111.8 125.3 11.6 -13.6 -2.3 39 43 A L - 0 0 0 46,-3.0 48,-0.3 -2,-0.5 -31,-0.1 -0.789 27.6 -92.9-116.5 158.1 8.1 -15.2 -2.7 40 44 A P > - 0 0 0 0, 0.0 47,-1.5 0, 0.0 3,-0.7 0.017 44.9 -81.0 -69.2 170.0 7.2 -18.9 -3.0 41 45 A E T 3 S+ 0 0 6 177,-0.5 148,-0.2 1,-0.2 48,-0.1 -0.359 114.7 19.5 -54.8 144.6 6.8 -21.2 -6.0 42 46 A A T 3 S+ 0 0 0 46,-0.2 -1,-0.2 65,-0.2 46,-0.2 0.847 71.5 152.5 59.7 42.9 3.4 -20.9 -7.6 43 47 A S S < S+ 0 0 1 44,-2.3 45,-0.2 -3,-0.7 -21,-0.2 0.610 71.3 56.1 -77.8 -15.5 2.6 -17.4 -6.2 44 48 A D S S- 0 0 0 43,-0.6 2,-0.3 1,-0.3 -26,-0.2 0.894 125.1 -35.3 -77.8 -44.2 0.4 -16.7 -9.3 45 49 A Y - 0 0 0 -34,-0.1 2,-0.3 -27,-0.1 -1,-0.3 -0.980 39.9-141.0-166.5 157.3 -1.8 -19.8 -8.7 46 50 A L - 0 0 9 -34,-1.3 2,-0.2 -2,-0.3 -4,-0.0 -0.948 32.7-145.8-119.2 153.3 -2.2 -23.4 -7.6 47 51 A S - 0 0 22 -2,-0.3 180,-0.1 1,-0.1 179,-0.1 -0.742 20.2-130.0-122.1 164.4 -4.5 -25.6 -9.6 48 52 A Q S S- 0 0 47 -2,-0.2 -1,-0.1 178,-0.2 179,-0.0 0.814 86.6 -17.4 -79.2 -35.7 -6.9 -28.6 -9.2 49 53 A N S > S- 0 0 54 93,-0.0 4,-2.3 1,-0.0 -1,-0.2 -0.935 81.1 -79.2-161.1 175.1 -5.5 -30.8 -11.9 50 54 A P H > S+ 0 0 43 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.790 126.8 50.7 -60.3 -31.0 -3.3 -30.7 -15.1 51 55 A L H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.908 110.0 50.3 -70.5 -41.8 -6.1 -29.3 -17.3 52 56 A H H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 107.3 55.3 -59.1 -43.0 -6.8 -26.5 -14.7 53 57 A S H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.925 107.5 47.7 -58.0 -46.7 -3.1 -25.7 -14.7 54 58 A R H X S+ 0 0 32 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.872 112.3 51.4 -62.0 -38.6 -3.0 -25.1 -18.4 55 59 A Y H >< S+ 0 0 10 -4,-1.8 3,-0.6 1,-0.2 4,-0.3 0.922 112.8 44.0 -62.2 -48.3 -6.1 -23.0 -18.2 56 60 A L H >X S+ 0 0 1 -4,-2.7 3,-2.0 1,-0.2 4,-0.7 0.855 103.1 64.7 -69.9 -35.1 -4.7 -20.8 -15.4 57 61 A A H >< S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.783 92.1 64.9 -58.5 -27.8 -1.3 -20.4 -17.1 58 62 A Q T << S+ 0 0 34 -4,-0.8 -1,-0.3 -3,-0.6 4,-0.2 0.730 104.0 47.3 -66.0 -20.8 -3.1 -18.5 -19.9 59 63 A K T <> S+ 0 0 69 -3,-2.0 4,-1.7 -4,-0.3 3,-0.4 0.580 92.0 82.6 -93.0 -16.0 -3.9 -15.9 -17.3 60 64 A S H S+ 0 0 28 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.905 107.9 46.5 -58.0 -38.7 1.2 -13.3 -18.5 62 66 A K H > S+ 0 0 124 -3,-0.4 4,-2.8 -4,-0.2 5,-0.2 0.907 110.7 53.0 -65.9 -44.0 -1.4 -10.6 -17.5 63 67 A F H X S+ 0 0 4 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.923 111.4 47.0 -50.9 -47.7 -0.6 -11.3 -13.8 64 68 A I H X S+ 0 0 8 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.926 111.1 49.8 -66.6 -45.4 3.1 -10.8 -14.6 65 69 A R H X S+ 0 0 100 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.918 113.2 47.5 -58.4 -44.2 2.4 -7.5 -16.5 66 70 A Q H X S+ 0 0 82 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.865 111.6 50.9 -63.9 -38.5 0.3 -6.2 -13.6 67 71 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.903 106.7 53.6 -65.2 -43.9 3.0 -7.2 -11.1 68 72 A Q H X S+ 0 0 48 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.923 112.7 44.8 -55.6 -45.6 5.7 -5.4 -13.2 69 73 A S H X S+ 0 0 65 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.875 111.2 52.8 -64.6 -42.3 3.5 -2.2 -13.0 70 74 A S H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.873 108.0 51.8 -63.2 -40.2 2.8 -2.7 -9.3 71 75 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.944 111.8 45.2 -61.7 -49.4 6.5 -3.0 -8.5 72 76 A T H X S+ 0 0 50 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.868 112.7 52.2 -64.9 -36.7 7.3 0.3 -10.4 73 77 A D H X S+ 0 0 66 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.919 111.9 45.8 -60.9 -46.6 4.3 2.0 -8.7 74 78 A L H X S+ 0 0 29 -4,-2.4 4,-1.5 2,-0.2 6,-0.2 0.882 112.7 50.0 -65.7 -40.9 5.5 0.9 -5.3 75 79 A V H X>S+ 0 0 13 -4,-2.5 5,-1.4 2,-0.2 4,-0.7 0.915 113.7 46.7 -61.9 -44.5 9.1 1.9 -6.1 76 80 A R H ><5S+ 0 0 152 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.945 114.2 46.1 -61.2 -50.6 7.9 5.4 -7.3 77 81 A D H 3<5S+ 0 0 105 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.700 118.8 41.0 -72.1 -21.4 5.6 6.0 -4.3 78 82 A N H 3<5S- 0 0 57 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.432 98.1-133.5-103.1 -1.2 8.2 4.9 -1.7 79 83 A S T <<5S+ 0 0 117 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.2 0.854 73.3 105.4 48.4 41.2 11.2 6.6 -3.4 80 84 A R < - 0 0 79 -5,-1.4 -2,-0.2 -6,-0.2 2,-0.2 -0.996 68.2-121.2-153.2 139.3 13.1 3.4 -2.8 81 85 A N + 0 0 86 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.0 -0.543 28.4 170.6 -83.0 144.7 14.3 0.4 -5.0 82 86 A I - 0 0 1 -2,-0.2 2,-0.3 -11,-0.1 -46,-0.2 -0.976 19.4-148.9-145.9 146.8 13.4 -3.2 -4.5 83 87 A D E -c 36 0A 13 -48,-1.6 -46,-2.3 -2,-0.3 2,-0.4 -0.827 16.9-146.6-107.4 155.4 13.9 -6.3 -6.6 84 88 A V E -cD 37 111A 0 27,-3.2 27,-3.4 -2,-0.3 2,-0.5 -0.987 13.5-168.8-131.8 127.7 11.5 -9.3 -6.6 85 89 A S E +cD 38 110A 1 -48,-2.7 -46,-3.0 -2,-0.4 2,-0.3 -0.976 26.6 163.6-111.4 123.9 12.0 -13.0 -7.0 86 90 A I E - D 0 109A 0 23,-2.4 23,-2.9 -2,-0.5 2,-0.4 -0.996 36.5-126.5-150.8 133.7 8.7 -14.9 -7.5 87 91 A G E + D 0 108A 0 -47,-1.5 -44,-2.3 -2,-0.3 -43,-0.6 -0.686 42.1 151.7 -81.5 129.1 7.5 -18.3 -8.7 88 92 A V E - D 0 107A 0 19,-3.3 19,-2.2 -2,-0.4 2,-0.3 -0.774 38.0-114.6-136.4-176.8 4.9 -18.2 -11.4 89 93 A H E - D 0 106A 12 -2,-0.2 17,-0.2 17,-0.2 54,-0.0 -0.930 21.7-162.9-120.4 152.9 3.7 -20.3 -14.3 90 94 A L E - 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0 0 1 -12,-0.1 40,-0.2 1,-0.1 2,-0.1 -0.414 63.0-109.6 -79.7 155.4 2.6 -28.3 -20.7 104 108 A V E - e 0 143A 0 38,-2.8 40,-2.4 -13,-0.1 2,-0.5 -0.424 25.1-118.0 -83.2 157.6 3.1 -25.2 -18.6 105 109 A R E -De 90 144A 52 -15,-3.5 -15,-2.1 38,-0.2 2,-0.9 -0.851 14.0-144.9 -95.4 127.0 6.5 -23.8 -17.5 106 110 A N E -D 89 0A 1 38,-0.5 17,-3.1 -2,-0.5 2,-0.4 -0.841 36.3-175.7 -90.0 106.3 7.1 -23.6 -13.8 107 111 A V E -DF 88 122A 0 -19,-2.2 -19,-3.3 -2,-0.9 2,-0.7 -0.888 32.4-152.2-122.0 133.7 9.2 -20.4 -13.7 108 112 A L E -DF 87 121A 2 13,-2.7 13,-2.6 -2,-0.4 2,-0.4 -0.917 26.2-157.6 -98.4 113.8 11.1 -18.4 -11.1 109 113 A L E -DF 86 120A 1 -23,-2.9 -23,-2.4 -2,-0.7 2,-0.5 -0.740 12.4-160.1 -92.4 136.3 11.1 -14.8 -12.2 110 114 A Y E -DF 85 119A 2 9,-2.0 8,-3.0 -2,-0.4 9,-1.1 -0.986 17.1-176.9-110.5 121.3 13.6 -12.2 -11.1 111 115 A I E -DF 84 117A 0 -27,-3.4 -27,-3.2 -2,-0.5 6,-0.2 -0.970 12.6-144.5-121.5 128.7 12.2 -8.7 -11.6 112 116 A D > - 0 0 26 4,-2.6 3,-2.4 -2,-0.4 -29,-0.1 -0.255 36.5 -88.4 -87.4 178.6 14.2 -5.5 -10.9 113 117 A H T 3 S+ 0 0 54 1,-0.3 -38,-0.2 2,-0.2 -30,-0.1 0.650 126.6 57.1 -62.5 -16.8 13.1 -2.1 -9.5 114 118 A E T 3 S- 0 0 123 2,-0.1 -1,-0.3 -39,-0.1 3,-0.1 0.323 120.9-107.5 -93.0 6.3 12.3 -0.9 -13.0 115 119 A G S < S+ 0 0 6 -3,-2.4 2,-0.4 1,-0.3 -2,-0.2 0.583 71.8 147.5 76.7 11.8 9.9 -3.8 -13.6 116 120 A K - 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