==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-SEP-98 1BS7 . COMPND 2 MOLECULE: PROTEIN (PEPTIDE DEFORMYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.BECKER,I.SCHLICHTING,W.KABSCH,D.GROCHE,S.SCHULTZ, . 504 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27028.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 18.8 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 . 3 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 . 34 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 0 0 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 3 3 3 0 3 3 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 . 3 0 0 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 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 S 0 0 85 0, 0.0 2,-0.6 0, 0.0 36,-0.3 0.000 360.0 360.0 360.0 140.6 47.6 55.2 73.5 2 2 A V - 0 0 82 34,-0.2 2,-0.2 35,-0.1 32,-0.1 -0.822 360.0-154.8 -84.1 121.3 44.6 54.1 71.4 3 3 A L - 0 0 45 -2,-0.6 2,-0.4 30,-0.5 48,-0.0 -0.571 23.3-101.4 -90.8 163.2 45.6 53.5 67.8 4 4 A Q - 0 0 154 -2,-0.2 2,-0.5 47,-0.2 -1,-0.0 -0.724 30.9-138.8 -90.0 133.3 43.3 53.8 64.9 5 5 A V - 0 0 16 -2,-0.4 46,-0.2 46,-0.1 45,-0.1 -0.804 15.1-131.8 -97.6 125.6 41.9 50.6 63.4 6 6 A L - 0 0 7 44,-2.6 2,-0.3 -2,-0.5 -1,-0.0 -0.354 20.3-156.8 -70.2 150.9 41.6 50.2 59.6 7 7 A H > - 0 0 32 86,-0.1 3,-2.1 -2,-0.0 86,-0.2 -0.913 30.1 -59.5-122.2 157.0 38.4 49.0 58.1 8 8 A I T 3 S+ 0 0 8 84,-2.2 3,-0.0 1,-0.3 0, 0.0 -0.422 114.9 40.2 -63.0 147.3 37.7 47.3 54.7 9 9 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.935 85.0 118.2 -96.3 27.3 38.1 48.1 52.0 10 10 A D X - 0 0 42 -3,-2.1 3,-1.7 1,-0.2 4,-0.1 -0.220 56.3-148.2 -50.1 119.9 41.5 49.6 53.2 11 11 A E G > S+ 0 0 164 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.429 87.4 77.6 -84.7 5.7 44.1 47.7 51.2 12 12 A R G > S+ 0 0 89 1,-0.2 3,-2.2 2,-0.2 -1,-0.3 0.788 81.7 72.5 -74.9 -27.2 46.7 47.9 53.9 13 13 A L G < S+ 0 0 1 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.598 91.4 58.2 -56.1 -15.4 44.7 45.1 55.5 14 14 A R G < S+ 0 0 110 -3,-0.8 -1,-0.3 -4,-0.1 2,-0.2 0.313 80.8 115.0-105.1 11.7 46.0 42.8 52.8 15 15 A K < - 0 0 99 -3,-2.2 2,-0.6 34,-0.1 124,-0.4 -0.588 67.0-124.7 -84.9 142.0 49.7 43.4 53.6 16 16 A V - 0 0 92 -2,-0.2 122,-0.2 122,-0.2 121,-0.1 -0.775 29.8-129.9 -89.8 119.0 51.9 40.5 54.9 17 17 A A - 0 0 4 120,-1.9 38,-0.3 -2,-0.6 37,-0.1 -0.240 15.9-125.7 -70.0 155.4 53.5 41.3 58.2 18 18 A K B -a 55 0A 105 36,-2.4 38,-2.7 1,-0.1 56,-0.1 -0.679 31.0 -93.8 -98.1 152.8 57.2 40.9 58.9 19 19 A P - 0 0 34 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.296 42.0-107.7 -59.7 144.4 58.8 38.9 61.7 20 20 A V - 0 0 10 36,-0.3 3,-0.2 1,-0.2 35,-0.0 -0.689 27.6-157.7 -73.7 122.3 59.7 40.9 64.8 21 21 A E S S- 0 0 186 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.890 72.5 -1.5 -73.2 -36.1 63.5 41.1 64.8 22 22 A E - 0 0 124 -3,-0.1 2,-1.4 2,-0.0 -1,-0.3 -0.953 67.2-125.2-160.1 130.6 63.9 41.8 68.5 23 23 A V + 0 0 30 -2,-0.3 2,-0.2 -3,-0.2 89,-0.0 -0.647 55.0 148.3 -83.2 90.4 61.5 42.2 71.3 24 24 A N > - 0 0 53 -2,-1.4 4,-1.9 91,-0.0 5,-0.1 -0.492 64.5 -80.6-111.1-167.8 62.6 45.5 72.7 25 25 A A H > S+ 0 0 43 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.663 127.5 56.9 -76.0 -19.7 60.8 48.5 74.4 26 26 A E H >> S+ 0 0 120 2,-0.2 4,-1.7 1,-0.1 3,-0.7 0.947 109.5 47.4 -64.6 -48.1 59.6 49.9 71.1 27 27 A I H 3> S+ 0 0 5 1,-0.2 4,-2.1 -5,-0.2 -2,-0.2 0.874 108.7 55.0 -62.1 -34.6 57.9 46.5 70.5 28 28 A Q H 3X S+ 0 0 42 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.702 105.5 50.2 -79.8 -22.0 56.5 46.5 74.1 29 29 A R H S+ 0 0 0 -4,-2.4 5,-1.8 -5,-0.2 4,-0.9 0.988 113.6 43.2 -60.6 -58.0 41.6 46.4 71.8 39 39 A Y H <5S+ 0 0 44 -4,-3.1 3,-0.5 1,-0.2 -2,-0.2 0.860 112.4 54.8 -58.3 -35.9 39.9 47.1 75.1 40 40 A A H <5S+ 0 0 55 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.941 114.8 38.0 -63.1 -48.2 38.8 50.5 74.0 41 41 A E H <5S- 0 0 100 -4,-2.7 -1,-0.2 -3,-0.1 -2,-0.2 0.502 113.2-122.3 -79.4 -5.8 37.0 49.1 70.9 42 42 A E T <5 + 0 0 171 -4,-0.9 -3,-0.2 -3,-0.5 2,-0.2 0.912 59.1 146.1 60.0 52.4 35.9 46.1 72.9 43 43 A G < - 0 0 10 -5,-1.8 -1,-0.2 -6,-0.1 3,-0.1 -0.483 49.2-142.9-100.6 173.8 37.5 43.4 70.8 44 44 A I S S+ 0 0 73 1,-0.3 17,-2.0 -2,-0.2 2,-0.3 0.461 84.9 27.2-112.0 -4.2 38.9 40.1 72.0 45 45 A G E -B 60 0B 7 15,-0.2 2,-0.3 -7,-0.1 -1,-0.3 -0.990 57.5-177.6-150.1 150.7 41.8 40.1 69.5 46 46 A L E -B 59 0B 0 13,-2.4 13,-2.5 -2,-0.3 2,-0.4 -0.960 11.4-155.3-149.0 132.0 43.9 42.5 67.6 47 47 A A E > -B 58 0B 0 -2,-0.3 3,-1.8 11,-0.2 4,-0.5 -0.908 27.9-120.8-100.9 144.4 46.6 41.9 65.0 48 48 A A G > >S+ 0 0 0 9,-2.9 3,-2.6 -2,-0.4 5,-1.8 0.875 109.6 65.2 -46.4 -43.3 49.3 44.6 64.4 49 49 A T G > 5S+ 0 0 0 1,-0.3 3,-1.4 8,-0.2 -1,-0.3 0.787 92.4 62.7 -62.9 -19.3 48.4 44.8 60.8 50 50 A Q G < 5S+ 0 0 1 -3,-1.8 -44,-2.6 1,-0.3 -1,-0.3 0.697 105.4 46.1 -74.3 -25.5 45.0 46.2 61.7 51 51 A V G < 5S- 0 0 11 -3,-2.6 -1,-0.3 -4,-0.5 -2,-0.2 0.017 126.0-101.2-104.1 28.3 46.7 49.2 63.3 52 52 A D T < 5S+ 0 0 64 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.743 87.8 123.9 60.4 26.4 48.9 49.7 60.3 53 53 A I < - 0 0 34 -5,-1.8 2,-1.1 -6,-0.1 -2,-0.2 -0.968 48.8-159.0-114.0 108.0 51.9 48.1 62.0 54 54 A H + 0 0 30 -2,-0.6 -36,-2.4 -5,-0.1 2,-0.3 -0.345 49.7 107.7 -97.7 62.3 52.9 45.3 59.7 55 55 A Q B S-a 18 0A 51 -2,-1.1 2,-2.6 -38,-0.3 -7,-0.3 -0.949 83.1 -93.1-127.3 153.3 54.9 43.1 62.0 56 56 A R S S+ 0 0 2 -38,-2.7 18,-2.8 -2,-0.3 2,-0.4 -0.301 74.0 130.8 -68.1 77.1 53.8 39.7 63.4 57 57 A I E + C 0 73B 0 -2,-2.6 -9,-2.9 -4,-0.2 2,-0.4 -0.990 28.4 178.6-128.9 137.7 52.3 40.8 66.7 58 58 A I E -BC 47 72B 0 14,-2.4 14,-2.7 -2,-0.4 2,-0.4 -0.996 9.8-164.7-136.1 134.2 48.9 39.7 68.1 59 59 A V E +BC 46 71B 0 -13,-2.5 -13,-2.4 -2,-0.4 2,-0.3 -0.970 12.6 176.7-115.7 141.4 47.1 40.6 71.4 60 60 A I E +BC 45 70B 2 10,-2.4 10,-2.9 -2,-0.4 2,-0.3 -0.993 8.2 179.8-139.0 133.1 44.2 38.5 72.7 61 61 A D + 0 0 1 -17,-2.0 8,-0.2 -2,-0.3 5,-0.1 -0.714 12.6 166.8-144.8 109.0 42.2 38.9 75.9 62 62 A V + 0 0 81 6,-0.3 2,-0.1 -2,-0.3 -1,-0.1 0.688 46.0 114.4 -79.9 -23.7 39.2 36.6 76.7 63 63 A S > - 0 0 20 1,-0.1 3,-1.7 5,-0.1 5,-0.1 -0.289 63.2-142.1 -70.6 132.1 39.0 37.6 80.4 64 64 A E T 3 S+ 0 0 175 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.723 105.9 35.7 -41.9 -42.8 36.1 39.4 82.0 65 65 A N T 3 S- 0 0 123 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.042 110.0-115.3-118.6 22.6 38.5 41.4 84.2 66 66 A R S < S+ 0 0 85 -3,-1.7 3,-0.2 1,-0.2 -2,-0.1 0.801 78.2 126.2 56.0 40.6 41.3 41.8 81.8 67 67 A D + 0 0 107 1,-0.1 -1,-0.2 0, 0.0 -3,-0.1 -0.002 62.9 52.5-122.8 25.3 43.6 39.8 84.0 68 68 A E + 0 0 152 -5,-0.1 -6,-0.3 2,-0.0 -1,-0.1 -0.034 69.5 173.3-150.9 34.3 44.8 37.2 81.5 69 69 A R - 0 0 116 -3,-0.2 2,-0.5 -8,-0.2 -8,-0.2 -0.160 18.8-149.9 -28.9 130.9 46.1 39.2 78.5 70 70 A L E -C 60 0B 36 -10,-2.9 -10,-2.4 2,-0.0 2,-0.5 -0.984 9.5-165.6-123.6 125.1 47.8 36.9 75.9 71 71 A V E -C 59 0B 16 -2,-0.5 2,-0.5 -12,-0.2 -12,-0.2 -0.970 3.6-173.0-113.0 126.9 50.6 38.2 73.6 72 72 A L E +C 58 0B 0 -14,-2.7 -14,-2.4 -2,-0.5 2,-0.5 -0.980 6.4 178.4-121.3 108.1 51.7 36.2 70.6 73 73 A I E S-CD 57 111B 0 38,-1.8 38,-2.8 -2,-0.5 -16,-0.2 -0.978 74.4 -4.9-113.2 129.6 54.8 37.5 68.8 74 74 A N E S- 0 0 25 -18,-2.8 -1,-0.2 -2,-0.5 -17,-0.1 0.922 88.7-165.2 51.0 54.0 56.0 35.6 65.8 75 75 A P E - 0 0 0 0, 0.0 2,-0.4 0, 0.0 35,-0.2 -0.393 9.4-168.8 -69.7 137.5 53.4 32.9 66.2 76 76 A E E - D 0 109B 40 33,-2.7 33,-2.2 -2,-0.1 2,-0.6 -0.998 20.6-129.3-124.2 137.8 53.9 29.6 64.3 77 77 A L E + D 0 108B 72 -2,-0.4 31,-0.2 31,-0.2 3,-0.1 -0.762 27.5 174.3 -84.7 118.8 51.2 26.9 64.0 78 78 A L E - 0 0 48 29,-2.8 2,-0.3 -2,-0.6 30,-0.2 0.866 64.1 -2.9 -93.6 -41.0 52.6 23.6 64.9 79 79 A E E - D 0 107B 115 28,-1.5 28,-2.6 2,-0.0 -1,-0.4 -0.988 56.5-177.9-147.9 150.7 49.5 21.4 64.8 80 80 A K E + D 0 106B 136 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.980 7.8 170.3-144.4 157.7 45.8 21.7 64.2 81 81 A S E + D 0 105B 70 24,-2.1 24,-2.8 -2,-0.3 23,-1.0 -0.962 39.8 20.4-160.6 154.3 42.9 19.3 64.2 82 82 A G - 0 0 39 -2,-0.3 2,-0.3 22,-0.2 23,-0.0 -0.241 69.3-103.5 84.5-176.0 39.1 19.1 64.1 83 83 A E + 0 0 152 20,-0.3 2,-0.3 21,-0.1 20,-0.2 -0.989 39.4 152.0-152.8 145.9 36.7 21.7 62.8 84 84 A T B -F 102 0C 57 18,-2.2 18,-2.6 -2,-0.3 2,-0.3 -0.938 16.5-159.8-147.8-170.8 34.4 24.3 64.2 85 85 A G + 0 0 28 -2,-0.3 2,-0.3 16,-0.2 14,-0.1 -0.883 8.1 176.9 178.3 138.9 32.8 27.6 63.6 86 86 A I - 0 0 64 14,-0.3 14,-1.0 -2,-0.3 2,-1.0 -0.860 52.5 -83.2-134.8 173.4 31.1 30.5 65.4 87 87 A E E -G 99 0D 130 -2,-0.3 12,-0.3 12,-0.2 2,-0.2 -0.726 58.7-159.2 -86.9 97.4 29.8 33.8 64.1 88 88 A E E -G 98 0D 8 10,-3.3 10,-1.4 -2,-1.0 2,-0.2 -0.600 12.5-167.7 -78.0 149.8 33.0 35.8 64.1 89 89 A G - 0 0 23 -2,-0.2 2,-0.3 8,-0.2 8,-0.1 -0.702 3.7-157.4-121.4-168.0 33.4 39.5 64.1 90 90 A C > - 0 0 18 3,-0.5 3,-1.0 6,-0.4 6,-0.3 -0.942 25.9-132.2-171.3 131.6 36.3 41.8 63.5 91 91 A L T 3 S+ 0 0 36 -2,-0.3 -86,-0.1 -46,-0.3 -1,-0.1 0.763 111.5 54.4 -64.2 -20.9 37.1 45.4 64.4 92 92 A S T 3 S+ 0 0 0 1,-0.2 -84,-2.2 -85,-0.1 -1,-0.2 0.574 108.3 47.9 -88.9 -14.8 38.1 46.1 60.8 93 93 A I S X S- 0 0 0 -3,-1.0 3,-1.3 -86,-0.2 -3,-0.5 -0.770 96.9-146.6-122.5 76.5 34.7 44.8 59.4 94 94 A P T 3 - 0 0 14 0, 0.0 67,-0.1 0, 0.0 -3,-0.1 -0.265 66.6 -9.8 -69.6 123.5 32.5 46.7 61.8 95 95 A E T 3 S+ 0 0 157 1,-0.2 2,-0.4 -5,-0.2 -4,-0.1 0.349 100.9 119.7 77.4 -2.5 29.2 45.1 62.9 96 96 A Q < + 0 0 21 -3,-1.3 -6,-0.4 -6,-0.3 2,-0.3 -0.752 37.3 179.8 -91.4 141.1 29.4 42.2 60.4 97 97 A R + 0 0 172 -2,-0.4 2,-0.3 -8,-0.1 -8,-0.2 -0.997 4.6 165.8-139.9 143.3 29.5 38.6 61.6 98 98 A A E -G 88 0D 16 -10,-1.4 -10,-3.3 -2,-0.3 2,-0.4 -0.983 40.8-100.8-152.5 159.7 29.6 35.2 59.9 99 99 A L E -G 87 0D 104 -2,-0.3 -12,-0.2 -12,-0.3 -14,-0.1 -0.701 41.6-172.2 -84.0 121.4 30.3 31.6 60.5 100 100 A V - 0 0 1 -14,-1.0 2,-0.4 -2,-0.4 -14,-0.3 -0.954 26.9-114.9-119.6 136.2 33.9 30.7 59.4 101 101 A P + 0 0 95 0, 0.0 2,-0.3 0, 0.0 -16,-0.2 -0.696 45.7 169.9 -70.5 127.3 35.3 27.2 59.2 102 102 A R B -F 84 0C 11 -18,-2.6 -18,-2.2 -2,-0.4 2,-0.2 -0.908 40.4-101.4-133.5 156.2 38.2 26.8 61.7 103 103 A A - 0 0 10 -2,-0.3 -20,-0.3 -20,-0.2 -21,-0.2 -0.538 29.9-144.5 -68.3 150.3 40.3 24.1 63.1 104 104 A E S S+ 0 0 88 -23,-1.0 20,-0.5 1,-0.3 2,-0.4 0.813 81.4 34.1 -92.5 -41.4 39.0 23.2 66.6 105 105 A K E S+DE 81 123B 71 -24,-2.8 -24,-2.1 18,-0.2 2,-0.3 -0.986 70.3 178.3-117.8 137.4 42.3 22.4 68.4 106 106 A V E -DE 80 122B 3 16,-2.6 16,-2.8 -2,-0.4 2,-0.5 -0.941 16.0-157.6-138.9 140.2 45.5 24.3 67.6 107 107 A K E -DE 79 121B 45 -28,-2.6 -29,-2.8 -2,-0.3 -28,-1.5 -0.998 21.6-178.1-120.7 124.3 49.0 24.1 69.0 108 108 A I E -DE 77 120B 0 12,-3.2 12,-2.8 -2,-0.5 2,-0.4 -0.921 24.6-151.2-123.6 151.6 51.2 27.2 68.6 109 109 A R E +DE 76 119B 100 -33,-2.2 -33,-2.7 -2,-0.3 2,-0.3 -0.917 36.2 148.8-104.3 140.0 54.7 28.3 69.4 110 110 A A E - 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