==== 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 07-OCT-12 4HG5 . 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 . 1195 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 844 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 185 15.5 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 . 100 8.4 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 . 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 2 3 3 0 4 1 7 0 0 0 0 0 0 4 0 8 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 3 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 . 3 0 19 0 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 . 5 3 0 0 5 3 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 0 126 0, 0.0 281,-0.8 0, 0.0 282,-0.3 0.000 360.0 360.0 360.0 -14.2 24.8 -3.7 44.2 2 5 A L E -A 281 0A 98 279,-0.1 2,-0.4 280,-0.1 279,-0.2 -0.873 360.0-151.3-113.5 148.0 21.5 -5.6 44.6 3 6 A K E -A 280 0A 85 277,-2.2 277,-3.8 -2,-0.3 2,-0.5 -0.977 13.9-133.4-124.0 131.8 18.8 -6.2 41.9 4 7 A R E -A 279 0A 83 -2,-0.4 32,-2.8 30,-0.3 33,-0.8 -0.703 21.1-173.4 -92.7 125.7 15.1 -6.6 42.7 5 8 A V E -Ab 278 37A 0 273,-3.1 273,-2.0 -2,-0.5 2,-0.4 -0.863 10.2-153.2-111.8 146.9 13.0 -9.4 41.2 6 9 A A E -Ab 277 38A 0 31,-2.4 33,-2.6 -2,-0.3 2,-0.5 -0.979 6.3-165.8-116.4 137.0 9.3 -10.1 41.4 7 10 A V E -Ab 276 39A 1 269,-2.7 269,-2.4 -2,-0.4 2,-0.3 -0.988 11.8-149.4-123.1 124.7 7.8 -13.6 41.1 8 11 A A E -A 275 0A 0 31,-3.4 2,-0.4 -2,-0.5 267,-0.2 -0.733 9.3-165.6-100.0 142.4 4.0 -13.9 40.5 9 12 A Q E +A 274 0A 6 265,-2.7 265,-2.2 -2,-0.3 2,-0.3 -0.988 24.8 155.9-119.9 133.7 1.7 -16.7 41.6 10 13 A L B -g 221 0B 4 210,-0.9 212,-2.1 -2,-0.4 2,-0.4 -0.908 42.6-122.5-150.2 176.8 -1.7 -16.9 40.1 11 14 A C - 0 0 41 -2,-0.3 215,-0.2 210,-0.2 212,-0.1 -0.833 30.9-150.5-130.3 90.5 -4.7 -19.2 39.2 12 15 A S - 0 0 3 -2,-0.4 214,-0.3 31,-0.1 2,-0.2 -0.339 10.6-166.8 -65.0 138.1 -5.5 -19.1 35.5 13 16 A S - 0 0 19 2,-0.3 34,-1.4 212,-0.2 214,-0.2 -0.432 40.1-101.3-101.1-173.2 -9.1 -19.7 34.3 14 17 A A S S+ 0 0 3 212,-1.6 2,-0.9 214,-0.3 213,-0.1 0.486 98.8 96.8 -85.7 -3.5 -10.2 -20.4 30.7 15 18 A D > - 0 0 85 211,-0.3 4,-2.7 1,-0.2 -2,-0.3 -0.766 56.2-169.5 -94.1 102.1 -11.2 -16.7 30.5 16 19 A L H > S+ 0 0 14 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.833 86.2 53.8 -60.8 -36.0 -8.4 -14.8 28.8 17 20 A T H > S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.922 111.5 44.3 -64.6 -45.6 -10.0 -11.4 29.6 18 21 A K H > S+ 0 0 44 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.915 113.6 51.4 -64.3 -44.2 -10.2 -12.2 33.4 19 22 A N H X S+ 0 0 9 -4,-2.7 4,-2.4 26,-0.2 -2,-0.2 0.880 106.8 53.9 -59.6 -40.6 -6.7 -13.7 33.3 20 23 A L H X S+ 0 0 13 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.903 104.0 55.4 -60.6 -42.6 -5.3 -10.5 31.7 21 24 A K H X S+ 0 0 71 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.925 110.6 45.4 -54.5 -48.2 -6.9 -8.3 34.4 22 25 A V H X S+ 0 0 45 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.916 112.9 49.4 -62.3 -47.6 -5.0 -10.4 37.1 23 26 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.917 110.4 51.8 -59.3 -43.7 -1.7 -10.3 35.1 24 27 A K H X S+ 0 0 91 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.889 109.2 49.7 -61.3 -42.0 -2.1 -6.5 34.7 25 28 A E H X S+ 0 0 100 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.880 110.6 50.1 -63.3 -41.7 -2.6 -6.0 38.4 26 29 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.889 111.6 46.9 -66.9 -40.9 0.5 -8.1 39.3 27 30 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.915 111.8 52.1 -66.5 -42.6 2.7 -6.2 36.9 28 31 A S H X S+ 0 0 27 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.912 110.7 47.6 -56.2 -46.3 1.4 -2.9 38.3 29 32 A E H X S+ 0 0 68 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.891 109.0 54.9 -62.3 -41.9 2.2 -4.1 41.8 30 33 A A H <>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 -2,-0.2 0.894 108.5 47.3 -58.8 -44.1 5.7 -5.2 40.7 31 34 A I H ><5S+ 0 0 3 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.895 110.7 51.8 -64.4 -42.3 6.4 -1.7 39.3 32 35 A Q H 3<5S+ 0 0 118 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 109.6 50.0 -63.5 -30.9 5.2 -0.0 42.5 33 36 A K T 3<5S- 0 0 92 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.368 117.1-119.2 -88.5 2.8 7.5 -2.4 44.4 34 37 A K T < 5 + 0 0 107 -3,-1.4 -30,-0.3 1,-0.2 2,-0.2 0.803 51.2 166.3 63.6 35.1 10.3 -1.3 42.1 35 38 A A < - 0 0 0 -5,-2.6 -30,-0.2 1,-0.1 -1,-0.2 -0.597 32.7-148.7 -73.6 140.3 11.1 -4.8 40.7 36 39 A D S S+ 0 0 43 -32,-2.8 48,-1.6 1,-0.3 2,-0.3 0.787 82.9 14.1 -81.3 -30.7 13.3 -4.6 37.6 37 40 A V E -bc 5 84A 0 -33,-0.8 -31,-2.4 46,-0.2 2,-0.4 -0.993 67.5-152.2-142.8 143.9 11.7 -7.8 36.1 38 41 A V E -bc 6 85A 0 46,-2.3 48,-2.6 -2,-0.3 2,-0.5 -0.977 9.1-155.4-119.6 131.3 8.5 -9.7 37.0 39 42 A F E -bc 7 86A 0 -33,-2.6 -31,-3.4 -2,-0.4 48,-0.2 -0.925 9.7-170.1-110.9 123.7 8.1 -13.4 36.3 40 43 A L - 0 0 0 46,-3.0 48,-0.3 -2,-0.5 -31,-0.1 -0.774 27.5 -96.5-109.9 157.0 4.7 -14.9 35.8 41 44 A P > - 0 0 0 0, 0.0 47,-1.4 0, 0.0 3,-0.7 -0.020 45.1 -79.6 -69.3 169.8 3.8 -18.7 35.6 42 45 A E T 3 S+ 0 0 12 177,-0.5 148,-0.2 1,-0.2 48,-0.1 -0.322 116.0 21.9 -55.4 147.5 3.3 -21.0 32.6 43 46 A A T 3 S+ 0 0 2 46,-0.3 -1,-0.2 65,-0.2 46,-0.2 0.842 72.2 152.9 57.7 41.1 -0.1 -20.7 31.0 44 47 A S S < S+ 0 0 1 44,-2.5 45,-0.2 -3,-0.7 -21,-0.2 0.624 71.8 53.6 -74.5 -16.5 -0.7 -17.2 32.4 45 48 A D S S- 0 0 0 43,-0.6 2,-0.3 1,-0.3 -26,-0.2 0.886 125.4 -34.2 -81.0 -43.7 -3.0 -16.5 29.4 46 49 A Y - 0 0 0 -34,-0.1 2,-0.3 -27,-0.1 -1,-0.3 -0.979 39.2-141.5-168.0 158.4 -5.2 -19.6 29.9 47 50 A L - 0 0 8 -34,-1.4 2,-0.2 -2,-0.3 -4,-0.0 -0.962 32.1-147.9-123.1 149.3 -5.7 -23.1 31.0 48 51 A S - 0 0 21 -2,-0.3 180,-0.1 1,-0.1 179,-0.1 -0.656 21.3-127.1-120.4 168.4 -8.0 -25.4 29.1 49 52 A Q S S- 0 0 47 178,-0.2 -1,-0.1 1,-0.2 179,-0.0 0.798 86.8 -19.8 -82.7 -33.3 -10.4 -28.3 29.5 50 53 A N S > S- 0 0 50 93,-0.0 4,-2.2 1,-0.0 -1,-0.2 -0.938 80.5 -77.4-164.3 175.7 -8.9 -30.6 26.8 51 54 A P H > S+ 0 0 43 0, 0.0 4,-1.6 0, 0.0 54,-0.1 0.817 127.3 51.0 -58.9 -32.3 -6.8 -30.5 23.6 52 55 A L H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.897 110.3 49.8 -70.4 -39.1 -9.6 -29.2 21.5 53 56 A H H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 106.9 55.2 -63.6 -42.1 -10.3 -26.4 24.0 54 57 A S H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.915 106.8 49.8 -58.5 -46.4 -6.6 -25.4 24.1 55 58 A R H X S+ 0 0 54 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.849 111.3 50.2 -60.9 -37.5 -6.5 -25.0 20.3 56 59 A Y H < S+ 0 0 10 -4,-1.5 3,-0.4 1,-0.2 4,-0.3 0.900 113.6 43.9 -68.5 -44.3 -9.6 -22.8 20.5 57 60 A L H >X S+ 0 0 1 -4,-2.5 3,-2.0 1,-0.2 4,-0.6 0.843 103.1 65.2 -71.2 -33.8 -8.2 -20.6 23.2 58 61 A A H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.801 92.3 64.5 -59.7 -29.0 -4.8 -20.3 21.6 59 62 A Q T 3< S+ 0 0 31 -4,-0.8 -1,-0.3 -3,-0.4 4,-0.2 0.724 103.7 47.2 -64.2 -21.4 -6.6 -18.4 18.7 60 63 A K T <> S+ 0 0 56 -3,-2.0 4,-1.8 -4,-0.3 3,-0.3 0.531 92.1 83.5 -94.5 -13.0 -7.3 -15.7 21.3 61 64 A S H S+ 0 0 32 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.886 108.3 47.1 -57.1 -36.9 -2.3 -13.2 20.1 63 66 A K H > S+ 0 0 67 -3,-0.3 4,-2.6 -4,-0.2 5,-0.2 0.925 110.5 52.7 -66.1 -48.1 -4.9 -10.5 21.1 64 67 A F H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.904 110.9 47.8 -47.4 -47.7 -4.1 -11.2 24.8 65 68 A I H X S+ 0 0 8 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.913 111.2 49.0 -68.2 -42.2 -0.4 -10.6 24.1 66 69 A R H X S+ 0 0 85 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.892 112.7 48.2 -63.1 -41.2 -1.0 -7.4 22.1 67 70 A Q H X S+ 0 0 75 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.868 112.3 50.1 -65.7 -36.8 -3.2 -6.1 24.9 68 71 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.909 107.7 52.1 -66.9 -45.8 -0.4 -7.1 27.4 69 72 A Q H X S+ 0 0 49 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.922 113.3 45.6 -54.5 -45.9 2.3 -5.3 25.4 70 73 A S H X S+ 0 0 61 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.872 110.8 53.1 -65.3 -39.3 0.1 -2.2 25.5 71 74 A S H X S+ 0 0 13 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.878 107.9 51.4 -64.9 -39.8 -0.6 -2.6 29.2 72 75 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.938 111.3 45.7 -63.2 -49.8 3.1 -2.8 30.0 73 76 A T H X S+ 0 0 48 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.884 113.4 51.2 -61.2 -38.7 4.0 0.4 28.0 74 77 A D H X S+ 0 0 60 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.912 112.3 45.7 -63.1 -43.1 1.0 2.1 29.7 75 78 A L H X S+ 0 0 27 -4,-2.4 4,-1.6 2,-0.2 6,-0.2 0.875 112.6 50.4 -68.5 -39.6 2.2 1.0 33.2 76 79 A V H X>S+ 0 0 13 -4,-2.6 5,-1.5 2,-0.2 4,-0.7 0.940 114.0 45.3 -62.3 -47.8 5.8 2.1 32.4 77 80 A R H ><5S+ 0 0 152 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.923 113.6 48.6 -60.2 -48.4 4.6 5.5 31.2 78 81 A D H 3<5S+ 0 0 107 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.742 119.1 38.2 -69.5 -25.7 2.2 6.1 34.2 79 82 A N H 3<5S- 0 0 58 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.410 99.1-133.7-102.5 -1.2 4.8 5.1 36.8 80 83 A S T <<5S+ 0 0 115 -4,-0.7 2,-0.3 -3,-0.7 -3,-0.2 0.848 72.5 108.6 49.2 40.2 7.7 6.8 35.0 81 84 A R < - 0 0 82 -5,-1.5 -2,-0.2 -6,-0.2 2,-0.2 -0.998 67.3-120.5-151.6 137.8 9.6 3.5 35.7 82 85 A N + 0 0 86 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.0 -0.539 29.5 169.3 -83.7 142.2 10.9 0.6 33.6 83 86 A I - 0 0 1 -2,-0.2 2,-0.3 -11,-0.1 -46,-0.2 -0.983 20.0-149.0-145.3 146.7 10.0 -3.0 34.0 84 87 A D E -c 37 0A 11 -48,-1.6 -46,-2.3 -2,-0.3 2,-0.4 -0.850 16.8-147.1-107.3 153.0 10.5 -6.2 31.9 85 88 A V E -cD 38 112A 0 27,-3.4 27,-3.6 -2,-0.3 2,-0.5 -0.978 13.0-168.6-129.0 128.6 8.1 -9.1 31.9 86 89 A S E +cD 39 111A 1 -48,-2.6 -46,-3.0 -2,-0.4 2,-0.4 -0.978 26.1 166.9-111.1 123.7 8.6 -12.8 31.6 87 90 A I E - D 0 110A 0 23,-2.6 23,-3.2 -2,-0.5 2,-0.5 -0.991 35.2-129.7-147.9 133.2 5.3 -14.7 31.0 88 91 A G E + D 0 109A 1 -47,-1.4 -44,-2.5 -2,-0.4 -43,-0.6 -0.687 42.2 152.1 -80.6 126.4 4.1 -18.1 30.0 89 92 A V E - D 0 108A 0 19,-3.1 19,-2.0 -2,-0.5 2,-0.3 -0.755 38.4-114.0-135.3-176.2 1.4 -18.0 27.2 90 93 A H E - D 0 107A 13 -2,-0.2 17,-0.2 17,-0.2 54,-0.0 -0.911 22.7-163.2-119.1 155.3 0.2 -20.2 24.4 91 94 A L E - 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