==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAY-02 1LRY . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.-P.GUILLOTEAU,M.MATHIEU,C.GIGLIONE,V.BLANC,A.DUPUY, . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 19.4 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 15 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 1 1 1 1 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 . 1 0 0 1 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 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 1 A A 0 0 68 0, 0.0 2,-0.4 0, 0.0 36,-0.4 0.000 360.0 360.0 360.0 143.3 19.3 20.1 48.6 2 2 A I - 0 0 85 34,-0.1 2,-0.3 35,-0.1 32,-0.1 -0.721 360.0-143.5 -83.8 132.4 20.0 23.0 46.4 3 3 A L - 0 0 49 30,-0.5 2,-0.4 -2,-0.4 -1,-0.0 -0.713 13.3-107.4-100.1 152.5 19.7 21.9 42.8 4 4 A N - 0 0 120 -2,-0.3 2,-0.6 47,-0.2 33,-0.0 -0.659 30.0-143.8 -80.7 129.9 21.7 22.9 39.7 5 5 A I - 0 0 29 -2,-0.4 46,-0.2 87,-0.1 45,-0.1 -0.837 11.0-135.5 -99.7 117.4 19.8 25.1 37.3 6 6 A L - 0 0 6 44,-2.5 2,-0.3 -2,-0.6 46,-0.1 -0.336 24.0-150.4 -67.2 147.1 20.5 24.6 33.5 7 7 A E > - 0 0 68 87,-0.1 3,-2.2 -2,-0.1 87,-0.2 -0.870 26.6 -53.4-126.3 155.9 20.9 27.8 31.4 8 8 A F T 3 S+ 0 0 0 85,-3.1 -1,-0.0 1,-0.3 0, 0.0 -0.365 118.1 27.5 -59.4 136.9 20.4 29.0 27.8 9 9 A P T 3 S+ 0 0 25 0, 0.0 -1,-0.3 0, 0.0 85,-0.1 -0.598 83.5 126.3 -98.2 50.8 21.4 27.6 25.3 10 10 A D X - 0 0 30 -3,-2.2 3,-2.3 1,-0.2 4,-0.1 -0.566 52.9-148.2 -70.3 112.5 21.4 24.2 27.1 11 11 A P G > S+ 0 0 102 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.648 92.0 74.3 -56.8 -15.1 19.4 22.0 24.7 12 12 A R G > S+ 0 0 111 1,-0.3 3,-1.9 2,-0.2 -2,-0.1 0.804 82.9 67.6 -69.7 -24.9 18.1 20.0 27.7 13 13 A L G < S+ 0 0 1 -3,-2.3 -1,-0.3 1,-0.3 127,-0.1 0.436 91.3 64.6 -71.5 -1.5 15.9 23.0 28.5 14 14 A R G < S+ 0 0 85 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.345 75.1 118.4-100.9 0.3 14.1 22.1 25.3 15 15 A T < - 0 0 54 -3,-1.9 2,-0.7 34,-0.1 125,-0.2 -0.419 67.7-123.9 -69.9 142.3 12.8 18.8 26.7 16 16 A I - 0 0 113 123,-0.2 123,-0.2 -2,-0.1 122,-0.1 -0.820 29.8-122.6 -92.6 116.1 9.1 18.4 27.0 17 17 A A - 0 0 3 121,-2.9 38,-0.3 -2,-0.7 37,-0.1 -0.313 20.4-130.4 -60.3 136.2 8.2 17.5 30.6 18 18 A K B -a 55 0A 156 36,-2.0 38,-2.0 1,-0.1 56,-0.1 -0.714 30.7 -95.0 -92.8 141.7 6.2 14.3 31.2 19 19 A P - 0 0 78 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.167 29.3-122.2 -54.6 137.4 3.0 14.2 33.3 20 20 A V + 0 0 8 36,-0.4 3,-0.1 1,-0.2 35,-0.0 -0.749 30.9 177.8 -85.8 105.8 3.2 13.2 37.0 21 21 A E + 0 0 188 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.825 67.7 22.3 -76.8 -37.4 0.9 10.2 37.3 22 22 A V - 0 0 108 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 -0.981 64.9-140.4-135.7 148.8 1.6 9.7 41.0 23 23 A V + 0 0 17 -2,-0.3 -3,-0.0 92,-0.2 0, 0.0 -0.708 40.9 158.1-107.9 76.9 2.8 11.8 43.9 24 24 A D > - 0 0 80 -2,-0.8 4,-1.2 1,-0.0 5,-0.1 0.144 59.2 -85.5 -81.3-160.1 5.1 9.6 45.9 25 25 A D H > S+ 0 0 126 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.890 126.0 60.4 -76.7 -42.7 7.8 10.5 48.4 26 26 A A H > S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.837 106.4 49.2 -52.9 -34.9 10.4 10.9 45.6 27 27 A V H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 110.9 46.9 -73.1 -43.7 8.2 13.6 44.1 28 28 A R H X S+ 0 0 98 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.851 109.7 55.1 -67.2 -34.8 7.7 15.5 47.4 29 29 A Q H X S+ 0 0 101 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.956 109.5 47.0 -61.6 -48.3 11.5 15.3 48.0 30 30 A L H X S+ 0 0 20 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.923 108.9 55.2 -58.6 -46.0 12.1 16.9 44.6 31 31 A I H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.945 109.9 45.5 -53.0 -52.5 9.4 19.5 45.3 32 32 A D H X S+ 0 0 101 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.906 112.4 50.4 -59.2 -44.4 11.3 20.6 48.5 33 33 A D H X S+ 0 0 26 -4,-2.6 4,-2.2 1,-0.2 -30,-0.5 0.873 110.9 52.0 -60.5 -36.2 14.6 20.6 46.7 34 34 A M H X S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.820 108.4 49.2 -68.6 -36.9 13.0 22.7 44.1 35 35 A F H X S+ 0 0 18 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.924 112.0 48.4 -67.6 -45.3 11.7 25.2 46.6 36 36 A E H X S+ 0 0 86 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.932 112.1 47.9 -59.5 -50.6 15.1 25.5 48.3 37 37 A T H X S+ 0 0 3 -4,-2.2 4,-2.2 -36,-0.4 -1,-0.2 0.903 113.3 50.1 -57.9 -42.7 16.9 26.0 45.0 38 38 A M H <>S+ 0 0 1 -4,-1.8 5,-2.6 2,-0.2 -2,-0.2 0.896 113.6 42.7 -63.9 -47.1 14.3 28.6 44.1 39 39 A Y H <5S+ 0 0 64 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.953 115.9 50.3 -63.3 -48.0 14.6 30.6 47.3 40 40 A E H <5S+ 0 0 117 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.825 115.4 43.3 -58.2 -35.3 18.3 30.2 47.2 41 41 A A T <5S- 0 0 42 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.852 113.3-122.1 -43.5 -66.6 18.4 31.5 43.5 42 42 A P T 5 + 0 0 107 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.559 59.1 136.3-100.4 146.5 16.4 33.7 44.2 43 43 A G < - 0 0 20 -5,-2.6 3,-0.1 -2,-0.0 -2,-0.1 -0.905 53.4-130.7-140.4 164.9 13.3 33.4 42.0 44 44 A I S S+ 0 0 82 -2,-0.3 17,-1.7 1,-0.1 2,-0.3 0.282 90.8 12.9-100.3 10.3 9.5 33.5 42.5 45 45 A G E -B 60 0B 7 15,-0.2 2,-0.3 -7,-0.1 15,-0.2 -0.967 57.7-171.3-173.8 162.7 9.0 30.3 40.6 46 46 A L E -B 59 0B 0 13,-2.1 13,-2.7 -2,-0.3 2,-0.3 -0.880 9.6-153.2-168.5 131.6 10.6 27.2 39.1 47 47 A A E > -B 58 0B 0 -2,-0.3 3,-1.5 11,-0.2 4,-0.4 -0.825 32.9-113.2-107.9 149.4 9.7 24.2 36.9 48 48 A A G > >S+ 0 0 0 9,-2.3 5,-2.4 -2,-0.3 3,-1.1 0.720 110.4 66.4 -51.6 -29.8 11.3 20.8 37.0 49 49 A T G > 5S+ 0 0 0 1,-0.2 3,-1.7 3,-0.2 -1,-0.3 0.858 90.0 65.2 -63.2 -34.0 12.8 21.2 33.5 50 50 A Q G < 5S+ 0 0 2 -3,-1.5 -44,-2.5 1,-0.3 -1,-0.2 0.702 108.5 40.2 -61.9 -20.5 15.1 24.0 34.7 51 51 A V G < 5S- 0 0 12 -3,-1.1 -1,-0.3 -4,-0.4 -47,-0.2 0.120 123.4 -98.9-115.6 16.6 16.9 21.5 37.0 52 52 A N T < 5S+ 0 0 72 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.690 88.3 117.9 73.2 23.3 17.0 18.5 34.6 53 53 A V < - 0 0 33 -5,-2.4 2,-1.3 -6,-0.1 -2,-0.3 -0.972 52.1-156.9-117.4 109.1 14.0 16.6 35.9 54 54 A H + 0 0 49 -2,-0.6 -36,-2.0 -5,-0.1 2,-0.3 -0.594 47.5 115.9 -95.9 75.0 11.5 16.5 33.1 55 55 A K B S-a 18 0A 79 -2,-1.3 2,-1.5 -38,-0.3 -7,-0.3 -0.939 78.0 -99.7-132.2 151.0 8.2 16.0 34.9 56 56 A R S S+ 0 0 39 -38,-2.0 18,-2.2 -2,-0.3 -36,-0.4 -0.622 71.9 132.9 -80.2 91.4 5.3 18.4 34.9 57 57 A I E - C 0 73B 0 -2,-1.5 -9,-2.3 16,-0.2 2,-0.4 -0.948 31.4-173.8-145.1 119.0 5.9 20.0 38.3 58 58 A V E -BC 47 72B 1 14,-3.8 14,-3.6 -2,-0.3 2,-0.3 -0.941 4.2-164.9-118.5 138.5 5.9 23.8 38.9 59 59 A V E +BC 46 71B 0 -13,-2.7 -13,-2.1 -2,-0.4 2,-0.3 -0.879 15.0 171.0-119.7 149.7 6.8 25.4 42.2 60 60 A M E +BC 45 70B 1 10,-2.3 10,-3.5 -2,-0.3 -15,-0.2 -0.996 26.7 178.7-160.0 158.0 6.0 29.0 43.2 61 61 A D - 0 0 4 -17,-1.7 -2,-0.0 -2,-0.3 6,-0.0 -0.626 6.1-176.2-163.4 95.5 6.0 31.6 46.0 62 62 A L + 0 0 63 6,-0.4 2,-0.3 -2,-0.2 64,-0.1 -0.043 53.5 98.7 -88.2 33.2 4.8 35.1 44.9 63 63 A S S S- 0 0 34 1,-0.1 5,-0.1 2,-0.1 -2,-0.0 -0.833 73.1-126.7-125.0 161.3 5.5 36.7 48.3 64 64 A E S S+ 0 0 178 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.994 100.7 42.1 -62.0 -71.2 8.1 38.8 50.2 65 65 A D S S- 0 0 92 1,-0.1 2,-3.6 2,-0.0 3,-0.4 -0.591 106.4-102.6 -76.7 143.8 8.6 36.6 53.2 66 66 A K S S+ 0 0 125 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.1 -0.109 89.8 113.6 -66.8 54.0 8.8 32.9 52.3 67 67 A S + 0 0 73 -2,-3.6 -1,-0.2 1,-0.2 -3,-0.1 0.354 57.1 65.0-107.8 4.8 5.2 32.3 53.5 68 68 A E + 0 0 109 -3,-0.4 -6,-0.4 -5,-0.1 2,-0.2 -0.100 59.5 172.7-121.8 40.4 3.3 31.5 50.3 69 69 A P - 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