==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-NOV-03 1V3Y . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.KAMO,N.KUDO,W.C.LEE,K.ITO,H.MOTOSHIM,M.TANOKURA,RIKEN . 337 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 20.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 3 1 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 1 2 3 2 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 . 2 0 0 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 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 M 0 0 141 0, 0.0 35,-0.2 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 24.0 4.2 10.1 64.4 2 2 A V - 0 0 55 33,-0.1 31,-0.1 34,-0.1 30,-0.1 -0.407 360.0-139.7 -87.5 158.3 7.6 10.7 62.6 3 3 A Y - 0 0 86 29,-0.3 2,-0.1 -2,-0.1 48,-0.1 -0.897 28.9-100.9-109.0 148.7 10.3 8.2 62.1 4 4 A P - 0 0 103 0, 0.0 2,-0.5 0, 0.0 32,-0.0 -0.415 39.8-120.9 -60.7 140.2 14.0 8.8 62.5 5 5 A I - 0 0 40 -2,-0.1 45,-0.2 87,-0.1 2,-0.2 -0.759 23.6-122.7 -89.0 130.1 15.7 9.3 59.2 6 6 A R - 0 0 94 43,-3.2 2,-0.2 -2,-0.5 3,-0.1 -0.484 27.9-140.3 -71.5 134.1 18.5 6.9 58.4 7 7 A L > - 0 0 22 -2,-0.2 3,-2.3 160,-0.1 6,-0.2 -0.588 33.0 -73.1 -94.3 155.8 21.9 8.5 57.6 8 8 A Y T 3 S+ 0 0 36 85,-2.8 163,-0.4 1,-0.3 -1,-0.1 -0.199 119.6 44.8 -39.4 124.8 24.5 7.6 55.1 9 9 A G T 3 S+ 0 0 39 1,-0.4 -1,-0.3 161,-0.1 159,-0.1 -0.011 78.4 117.0 113.4 -25.3 26.3 4.5 56.2 10 10 A D X - 0 0 30 -3,-2.3 3,-1.9 1,-0.2 -1,-0.4 -0.660 63.9-141.6 -72.7 122.6 23.1 2.6 57.1 11 11 A P G >> S+ 0 0 95 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.708 93.2 76.5 -61.6 -18.7 23.1 -0.4 54.7 12 12 A V G >4 S+ 0 0 17 1,-0.3 3,-0.7 2,-0.2 129,-0.1 0.809 86.5 62.6 -61.5 -27.2 19.3 -0.2 54.3 13 13 A L G <4 S+ 0 0 3 -3,-1.9 -1,-0.3 1,-0.2 36,-0.1 0.659 105.6 46.1 -70.6 -16.9 20.0 2.8 52.0 14 14 A R G <4 S+ 0 0 96 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.462 88.9 102.4-107.4 -1.7 21.9 0.5 49.6 15 15 A R S << S- 0 0 127 -3,-0.7 2,-0.8 -4,-0.6 126,-0.1 -0.366 79.8-110.3 -76.8 156.8 19.6 -2.5 49.3 16 16 A K - 0 0 119 124,-0.1 124,-0.2 125,-0.1 123,-0.1 -0.817 43.7-127.0 -82.4 114.7 17.3 -3.1 46.4 17 17 A A - 0 0 2 122,-2.4 37,-0.3 -2,-0.8 36,-0.1 -0.233 18.9-116.8 -66.2 146.7 13.8 -2.5 47.9 18 18 A R B -a 54 0A 141 35,-2.6 37,-2.4 1,-0.1 57,-0.1 -0.646 32.8 -98.7 -83.3 142.0 11.1 -5.1 47.6 19 19 A P - 0 0 73 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.190 37.3-111.6 -56.0 144.4 7.9 -4.5 45.7 20 20 A V + 0 0 5 35,-0.4 3,-0.1 1,-0.2 34,-0.0 -0.719 45.1 160.5 -77.6 133.1 4.8 -3.6 47.7 21 21 A E + 0 0 175 -2,-0.5 2,-0.7 1,-0.3 -1,-0.2 0.692 61.4 55.2-121.2 -45.1 2.2 -6.4 47.6 22 22 A D + 0 0 113 1,-0.1 3,-0.3 2,-0.0 -1,-0.3 -0.888 56.8 177.4 -98.8 114.0 -0.1 -5.8 50.6 23 23 A F >> + 0 0 31 -2,-0.7 3,-1.2 1,-0.2 4,-0.6 0.402 50.6 104.2 -96.5 0.0 -1.5 -2.3 50.4 24 24 A S T 34 S+ 0 0 106 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.861 93.3 28.3 -55.0 -39.1 -3.7 -2.5 53.5 25 25 A G T 3> S+ 0 0 40 -3,-0.3 4,-2.3 1,-0.1 -1,-0.3 0.350 93.6 97.6-102.7 6.3 -1.4 -0.4 55.7 26 26 A I H <> S+ 0 0 5 -3,-1.2 4,-3.1 89,-0.3 5,-0.2 0.888 79.2 54.7 -69.2 -41.0 0.2 1.7 53.0 27 27 A K H X S+ 0 0 97 -4,-0.6 4,-1.8 88,-0.4 -1,-0.2 0.932 112.9 42.8 -55.4 -51.0 -2.0 4.8 53.5 28 28 A R H > S+ 0 0 137 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.868 116.0 47.6 -63.6 -41.7 -1.2 5.0 57.2 29 29 A L H X S+ 0 0 25 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.908 110.9 52.3 -65.6 -43.4 2.5 4.3 56.7 30 30 A A H X S+ 0 0 2 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.852 104.8 56.7 -61.7 -33.9 2.5 6.9 53.9 31 31 A E H X S+ 0 0 71 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.930 108.7 45.7 -64.6 -40.9 0.9 9.4 56.3 32 32 A D H X S+ 0 0 33 -4,-1.6 4,-2.2 2,-0.2 -29,-0.3 0.840 111.0 53.7 -70.9 -31.7 3.8 8.9 58.8 33 33 A M H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.930 109.3 48.1 -66.9 -44.6 6.3 9.3 56.0 34 34 A L H X S+ 0 0 21 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.899 110.3 51.3 -60.7 -40.6 4.7 12.6 54.9 35 35 A E H X S+ 0 0 65 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.925 112.5 47.4 -65.7 -38.5 4.8 13.8 58.5 36 36 A T H X S+ 0 0 5 -4,-2.2 4,-1.6 -35,-0.2 -2,-0.2 0.909 113.2 47.1 -64.9 -46.0 8.4 12.9 58.7 37 37 A M H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-0.2 0.933 113.2 49.1 -58.9 -49.8 9.2 14.5 55.4 38 38 A F H ><5S+ 0 0 24 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.885 109.4 50.6 -62.1 -42.9 7.3 17.7 56.3 39 39 A E H 3<5S+ 0 0 127 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.839 112.4 48.1 -67.1 -32.0 9.0 18.1 59.8 40 40 A A T 3<5S- 0 0 37 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.388 115.4-119.4 -85.6 3.2 12.4 17.7 58.1 41 41 A K T < 5 + 0 0 140 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.700 64.0 143.9 62.7 28.0 11.4 20.3 55.4 42 42 A G < - 0 0 17 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.391 51.7-147.6 -87.9 172.5 11.8 17.9 52.5 43 43 A V S S+ 0 0 54 1,-0.3 17,-2.2 -2,-0.1 2,-0.3 0.459 84.2 23.8-115.0 -6.7 9.8 17.5 49.3 44 44 A G E -B 59 0B 7 15,-0.2 2,-0.3 -7,-0.1 -1,-0.3 -0.988 57.1-176.4-152.4 156.8 10.3 13.7 49.1 45 45 A L E -B 58 0B 0 13,-2.3 13,-2.5 -2,-0.3 2,-0.3 -0.905 12.7-150.9-155.7 133.3 11.0 10.7 51.3 46 46 A A E > -B 57 0B 0 -2,-0.3 3,-1.6 11,-0.2 4,-0.5 -0.732 27.6-115.8-107.2 149.2 11.6 7.0 50.4 47 47 A A G > >S+ 0 0 0 9,-3.2 5,-2.2 -2,-0.3 3,-1.9 0.860 112.8 61.3 -53.0 -41.4 10.8 4.1 52.6 48 48 A P G > 5S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 0.837 94.4 65.8 -52.8 -31.3 14.5 3.0 52.9 49 49 A Q G < 5S+ 0 0 1 -3,-1.6 -43,-3.2 1,-0.3 -2,-0.2 0.662 105.7 43.0 -69.3 -16.4 15.1 6.4 54.6 50 50 A I G < 5S- 0 0 6 -3,-1.9 -1,-0.3 -4,-0.5 -3,-0.1 0.088 130.2 -93.3-109.8 19.7 12.9 5.2 57.5 51 51 A G T < 5S+ 0 0 22 -3,-1.7 2,-0.6 1,-0.2 -2,-0.1 0.520 88.6 120.7 91.6 12.0 14.4 1.8 57.6 52 52 A L < - 0 0 52 -5,-2.2 2,-2.3 -6,-0.1 -2,-0.2 -0.920 52.5-151.6-118.9 111.4 11.9 -0.1 55.4 53 53 A S + 0 0 25 -2,-0.6 -35,-2.6 -5,-0.1 2,-0.4 -0.404 54.9 125.1 -82.5 66.6 13.2 -1.8 52.2 54 54 A Q B S-a 18 0A 62 -2,-2.3 2,-2.2 -37,-0.3 -7,-0.3 -0.944 73.7-111.1-128.8 145.3 10.0 -1.4 50.3 55 55 A R S S+ 0 0 26 -37,-2.4 20,-2.7 -2,-0.4 -35,-0.4 -0.520 77.7 115.3 -79.2 74.9 9.3 0.2 46.9 56 56 A L E + C 0 74B 0 -2,-2.2 -9,-3.2 18,-0.2 2,-0.3 -0.981 32.3 163.5-146.3 133.7 7.4 3.2 48.3 57 57 A F E -BC 46 73B 0 16,-2.2 16,-2.9 -2,-0.3 2,-0.3 -0.975 20.6-147.0-144.3 161.9 8.0 6.9 48.5 58 58 A V E +BC 45 72B 0 -13,-2.5 -13,-2.3 -2,-0.3 2,-0.3 -0.910 21.6 169.1-121.5 152.5 6.0 10.1 49.1 59 59 A A E -BC 44 71B 0 12,-2.1 12,-3.0 -2,-0.3 2,-0.4 -0.977 16.2-145.8-156.3 157.5 6.6 13.5 47.6 60 60 A V E C 0 70B 9 -17,-2.2 10,-0.2 -2,-0.3 71,-0.0 -0.964 360.0 360.0-131.6 148.7 4.9 16.8 47.3 61 61 A E 0 0 91 8,-2.6 -1,-0.2 -2,-0.4 9,-0.1 0.775 360.0 360.0-107.5 360.0 4.4 19.7 44.8 62 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 63 74 A L >> 0 0 97 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -21.5 2.7 22.6 55.4 64 75 A R T 34 + 0 0 177 1,-0.2 3,-0.4 2,-0.2 -29,-0.0 0.765 360.0 55.2 -51.6 -30.2 0.2 19.8 54.4 65 76 A E T 34 S+ 0 0 150 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.570 102.5 56.0 -80.7 -10.5 -2.1 22.8 53.7 66 77 A L T <4 S+ 0 0 151 -3,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.519 81.4 109.4 -97.0 -7.8 0.4 24.5 51.3 67 78 A V < - 0 0 38 -4,-0.5 3,-0.1 -3,-0.4 -3,-0.0 -0.468 50.3-162.4 -80.0 138.9 0.9 21.6 48.9 68 79 A R S S+ 0 0 155 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.851 82.2 7.5 -77.7 -43.9 -0.5 21.6 45.3 69 80 A R - 0 0 115 2,-0.0 -8,-2.6 0, 0.0 2,-0.4 -0.998 63.3-155.1-141.9 142.8 -0.2 17.8 44.8 70 81 A V E -C 60 0B 73 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.977 14.5-159.9-116.2 134.7 0.6 14.9 47.2 71 82 A Y E -C 59 0B 26 -12,-3.0 -12,-2.1 -2,-0.4 2,-0.5 -0.967 15.3-176.4-121.6 123.8 2.1 11.7 45.7 72 83 A V E -C 58 0B 18 -2,-0.5 2,-0.6 -14,-0.2 -14,-0.2 -0.987 22.1-173.1-111.3 114.8 2.1 8.3 47.4 73 84 A V E +C 57 0B 0 -16,-2.9 -16,-2.2 -2,-0.5 2,-0.3 -0.918 11.9 177.9-126.3 112.3 4.0 6.2 45.0 74 85 A A E +CD 56 113B 0 39,-3.0 39,-2.7 -2,-0.6 -18,-0.2 -0.840 69.1 2.0-108.3 146.2 4.4 2.4 45.2 75 86 A N E S- 0 0 27 -20,-2.7 -1,-0.2 -2,-0.3 -19,-0.1 0.856 82.2-170.7 51.9 45.9 6.2 0.2 42.8 76 87 A P E - 0 0 3 0, 0.0 2,-0.4 0, 0.0 36,-0.2 -0.394 11.6-176.6 -68.3 143.4 7.3 3.0 40.5 77 88 A V E - D 0 111B 83 34,-2.5 34,-2.6 -2,-0.1 2,-0.7 -0.989 24.0-135.4-137.2 126.1 8.9 2.3 37.1 78 89 A I E + D 0 110B 51 -2,-0.4 32,-0.3 32,-0.2 3,-0.1 -0.778 26.5 174.6 -77.7 114.2 10.2 4.9 34.7 79 90 A T E + 0 0 50 30,-2.0 2,-0.3 -2,-0.7 31,-0.2 0.524 64.2 21.5 -96.9 -10.1 8.9 3.9 31.3 80 91 A Y E + D 0 109B 74 29,-1.1 29,-2.1 2,-0.0 2,-0.3 -0.973 59.0 179.1-155.0 143.3 10.1 7.0 29.3 81 92 A R E - 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0 0 147 -2,-0.4 2,-0.4 -8,-0.2 -8,-0.2 -0.956 26.2-155.1-138.2 150.0 24.7 19.2 48.0 99 110 A S E -F 89 0C 11 -10,-2.3 -10,-2.4 -2,-0.3 3,-0.4 -0.997 3.9-162.7-118.4 141.5 25.7 18.9 44.4 100 111 A E E S+ 0 0 153 -2,-0.4 -12,-0.1 -12,-0.2 -10,-0.1 0.423 85.0 55.9 -95.9 0.9 24.7 21.7 41.9 101 112 A E E + 0 0 79 -15,-0.1 -1,-0.2 -12,-0.1 -13,-0.2 -0.015 62.9 145.9-127.7 30.7 25.4 19.5 38.8 102 113 A V E -F 87 0C 0 -15,-2.3 -15,-1.3 -3,-0.4 2,-0.3 -0.592 43.4-137.0 -74.5 117.0 23.3 16.4 39.2 103 114 A P E +F 86 0C 27 0, 0.0 2,-0.3 0, 0.0 -17,-0.2 -0.615 32.6 164.9 -76.2 136.7 22.1 15.3 35.7 104 115 A R E -F 85 0C 6 -19,-2.0 -19,-2.7 -2,-0.3 2,-0.1 -0.962 44.0 -91.6-141.8 155.2 18.5 14.2 35.4 105 116 A A - 0 0 3 -2,-0.3 -22,-0.2 -21,-0.2 -21,-0.2 -0.445 29.4-143.4 -58.9 141.1 16.0 13.5 32.6 106 117 A E S S+ 0 0 101 -24,-1.4 20,-2.1 1,-0.2 2,-0.4 0.844 85.2 24.5 -76.7 -35.7 13.9 16.7 32.0 107 118 A R E S+DE 82 125B 93 -25,-2.2 -25,-2.3 18,-0.2 2,-0.3 -0.992 71.4 176.6-134.0 139.5 10.8 14.7 31.3 108 119 A I E -DE 81 124B 0 16,-2.4 16,-2.3 -2,-0.4 2,-0.4 -0.953 23.0-145.2-135.0 155.9 9.7 11.3 32.5 109 120 A R E -DE 80 123B 77 -29,-2.1 -30,-2.0 -2,-0.3 -29,-1.1 -0.988 24.3-168.4-114.2 134.3 6.8 8.9 32.4 110 121 A V E -DE 78 122B 0 12,-2.9 12,-2.4 -2,-0.4 2,-0.4 -0.987 14.2-156.9-128.1 127.7 6.2 6.8 35.5 111 122 A E E +DE 77 121B 96 -34,-2.6 -34,-2.5 -2,-0.4 2,-0.3 -0.895 35.5 141.5 -95.9 136.8 4.0 3.7 36.1 112 123 A Y E - 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