==== 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 29-OCT-04 1WS0 . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR J.H.MOON,J.K.PARK,E.E.KIM . 151 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 25.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 11 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 1 0 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 2 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 139 0, 0.0 2,-0.4 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 161.1 -32.0 22.2 86.9 2 2 A A - 0 0 38 28,-0.2 2,-0.7 2,-0.0 36,-0.2 -0.983 360.0-128.3-130.7 142.3 -34.7 22.0 84.3 3 3 A V - 0 0 96 -2,-0.4 2,-0.3 34,-0.1 32,-0.1 -0.828 36.2-146.1 -85.8 119.0 -36.7 19.0 83.2 4 4 A L - 0 0 42 -2,-0.7 2,-0.4 30,-0.4 48,-0.0 -0.617 15.0-110.6 -89.7 147.1 -36.2 19.0 79.4 5 5 A E - 0 0 158 -2,-0.3 2,-0.6 47,-0.2 -1,-0.1 -0.619 29.5-137.0 -75.1 132.2 -38.8 17.9 77.0 6 6 A I - 0 0 15 -2,-0.4 2,-0.3 46,-0.1 46,-0.2 -0.834 21.0-125.5 -90.9 121.7 -37.7 14.6 75.4 7 7 A I - 0 0 25 44,-3.5 2,-0.2 -2,-0.6 4,-0.1 -0.504 23.7-139.6 -68.9 128.3 -38.5 14.8 71.6 8 8 A K - 0 0 99 -2,-0.3 85,-0.2 2,-0.2 84,-0.1 -0.680 33.5 -72.4 -92.9 144.5 -40.6 11.9 70.4 9 9 A H S S+ 0 0 91 83,-3.6 3,-0.0 1,-0.2 -1,-0.0 -0.565 113.1 63.2 -58.4 106.8 -40.2 9.8 66.8 10 10 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.383 73.2 100.3-123.3 149.2 -41.1 11.8 64.7 11 11 A N > - 0 0 66 -4,-0.1 3,-1.0 1,-0.0 4,-0.3 -0.950 61.1-132.3-176.9 129.1 -39.0 14.7 64.5 12 12 A E G > S+ 0 0 165 -2,-0.3 3,-1.4 1,-0.2 4,-0.3 0.763 100.4 70.6 -62.3 -31.0 -36.2 15.7 62.1 13 13 A V G > S+ 0 0 26 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.855 92.4 62.5 -58.0 -28.9 -33.8 16.7 64.9 14 14 A L G < S+ 0 0 0 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.759 105.1 43.4 -69.4 -23.4 -33.5 13.0 65.7 15 15 A E G < S+ 0 0 122 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.257 89.8 107.4-104.6 11.7 -32.1 12.1 62.3 16 16 A T S < S- 0 0 56 -3,-1.2 123,-0.4 -4,-0.3 124,-0.1 -0.798 72.2-125.2 -93.4 120.6 -29.7 15.0 62.2 17 17 A P - 0 0 83 0, 0.0 121,-0.2 0, 0.0 2,-0.2 -0.391 33.9-120.7 -63.0 144.8 -26.0 14.1 62.7 18 18 A C - 0 0 9 119,-2.4 38,-0.3 38,-0.1 2,-0.2 -0.526 12.7-119.8 -93.4 148.4 -24.5 16.2 65.5 19 19 A E B -a 56 0A 143 36,-2.3 38,-2.2 -2,-0.2 55,-0.1 -0.521 36.8-101.8 -80.4 151.8 -21.6 18.7 65.5 20 20 A R - 0 0 131 36,-0.2 2,-0.4 -2,-0.2 -1,-0.1 -0.405 39.3-107.0 -68.1 148.4 -18.6 18.0 67.7 21 21 A V + 0 0 8 36,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.660 43.6 168.2 -77.0 130.8 -18.5 20.1 70.9 22 22 A I + 0 0 142 -2,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.643 62.8 57.8-113.9 -32.3 -15.8 22.8 70.6 23 23 A N - 0 0 113 2,-0.0 2,-1.3 1,-0.0 -1,-0.2 -0.911 62.2-163.5-107.9 117.1 -16.6 24.9 73.6 24 24 A F + 0 0 63 -2,-0.6 2,-0.1 90,-0.1 88,-0.0 -0.717 43.9 143.2 -98.6 80.3 -16.6 23.2 77.0 25 25 A D > - 0 0 55 -2,-1.3 4,-1.8 1,-0.0 3,-0.4 -0.416 67.8 -85.2-112.9-174.8 -18.5 25.9 78.7 26 26 A K H > S+ 0 0 167 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.788 123.0 57.6 -65.1 -28.2 -21.1 26.5 81.4 27 27 A K H > S+ 0 0 173 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.850 105.8 51.0 -71.2 -33.2 -24.0 26.0 79.0 28 28 A L H > S+ 0 0 9 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.903 109.5 49.9 -68.1 -45.2 -22.6 22.5 78.2 29 29 A V H X S+ 0 0 33 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.936 111.7 47.9 -62.5 -43.1 -22.4 21.6 81.9 30 30 A K H X S+ 0 0 104 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.900 109.0 54.4 -64.6 -37.8 -26.0 22.8 82.4 31 31 A L H X S+ 0 0 23 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.954 111.2 45.0 -58.4 -47.9 -27.1 20.7 79.4 32 32 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.907 113.3 49.7 -64.8 -40.8 -25.5 17.6 80.8 33 33 A K H X S+ 0 0 111 -4,-2.4 4,-1.7 1,-0.2 5,-0.3 0.948 114.0 45.1 -64.0 -45.6 -26.9 18.2 84.3 34 34 A D H X S+ 0 0 8 -4,-2.9 4,-2.3 1,-0.2 -30,-0.4 0.880 112.0 53.3 -64.9 -38.9 -30.4 18.8 83.0 35 35 A M H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.915 105.8 52.8 -62.3 -44.1 -30.1 15.7 80.7 36 36 A H H X S+ 0 0 17 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.931 114.8 38.9 -62.9 -43.7 -29.2 13.4 83.5 37 37 A E H X S+ 0 0 75 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.898 115.4 53.3 -74.5 -37.0 -32.1 14.2 85.8 38 38 A T H X S+ 0 0 3 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.939 110.1 49.6 -58.5 -44.2 -34.5 14.5 82.8 39 39 A M H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 -2,-0.2 0.941 113.8 43.7 -59.1 -49.0 -33.4 11.0 81.8 40 40 A L H ><5S+ 0 0 73 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.889 108.5 56.6 -68.1 -38.4 -33.8 9.4 85.2 41 41 A I H 3<5S+ 0 0 113 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.881 109.4 48.4 -60.2 -32.8 -37.2 11.1 85.8 42 42 A A T 3<5S- 0 0 43 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.344 118.7-115.1 -88.0 6.3 -38.3 9.4 82.6 43 43 A D T < 5 + 0 0 153 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.822 67.5 144.2 62.7 34.5 -36.9 6.0 83.8 44 44 A G < - 0 0 11 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.620 46.7-156.4 -99.2 161.5 -34.3 6.0 81.0 45 45 A V S S+ 0 0 54 1,-0.2 17,-2.7 -2,-0.2 2,-0.3 0.493 80.7 29.4-111.1 -9.1 -30.8 4.6 81.2 46 46 A G E +B 61 0B 7 15,-0.2 45,-0.3 -7,-0.1 2,-0.3 -0.989 58.6 177.4-147.5 149.9 -29.4 6.7 78.3 47 47 A L E -B 60 0B 0 13,-2.1 13,-2.5 -2,-0.3 2,-0.3 -0.948 11.0-157.4-153.8 136.4 -30.2 10.1 76.7 48 48 A A E > -B 59 0B 0 -2,-0.3 3,-1.6 11,-0.2 4,-0.4 -0.873 30.1-113.8-116.2 151.0 -28.5 12.0 73.8 49 49 A A G > >S+ 0 0 0 9,-3.1 5,-2.4 -2,-0.3 3,-2.1 0.834 112.2 61.5 -52.7 -40.6 -28.5 15.7 73.2 50 50 A P G > 5S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.842 95.3 64.3 -59.9 -24.5 -30.5 15.5 70.0 51 51 A Q G < 5S+ 0 0 0 -3,-1.6 -44,-3.5 1,-0.3 -2,-0.2 0.651 106.3 42.4 -71.6 -15.1 -33.4 14.0 72.0 52 52 A V G < 5S- 0 0 23 -3,-2.1 -1,-0.3 -4,-0.4 -47,-0.2 0.020 130.7 -95.5-116.2 24.4 -33.7 17.2 73.9 53 53 A G T < 5S+ 0 0 44 -3,-1.8 2,-0.6 1,-0.2 -2,-0.1 0.596 86.9 121.0 78.0 16.4 -33.3 19.2 70.7 54 54 A V < - 0 0 46 -5,-2.4 2,-1.7 -6,-0.1 4,-0.2 -0.944 51.8-150.6-116.2 115.9 -29.6 20.0 70.8 55 55 A S + 0 0 43 -2,-0.6 -36,-2.3 -5,-0.1 2,-0.3 -0.343 56.5 114.4 -85.1 61.8 -27.5 18.8 67.8 56 56 A L B S-a 19 0A 58 -2,-1.7 2,-2.2 -38,-0.3 -7,-0.3 -0.912 79.2-103.4-125.6 153.9 -24.2 18.4 69.7 57 57 A Q S S+ 0 0 20 -38,-2.2 17,-2.8 -2,-0.3 2,-0.4 -0.485 75.8 125.3 -80.8 78.5 -22.2 15.2 70.4 58 58 A V E + C 0 73B 0 -2,-2.2 -9,-3.1 15,-0.2 2,-0.3 -0.999 25.3 154.4-138.8 127.5 -23.2 14.9 74.0 59 59 A A E -BC 48 72B 0 13,-2.1 13,-2.9 -2,-0.4 2,-0.3 -0.962 21.8-155.0-146.7 165.4 -24.9 11.9 75.8 60 60 A V E -BC 47 71B 0 -13,-2.5 -13,-2.1 -2,-0.3 2,-0.3 -0.992 7.1-171.9-142.0 146.1 -25.1 10.5 79.2 61 61 A V E +BC 46 70B 0 9,-1.8 9,-2.8 -2,-0.3 -15,-0.2 -0.963 5.7 177.0-133.1 152.4 -25.8 6.9 80.4 62 62 A D E + C 0 69B 24 -17,-2.7 7,-0.2 -2,-0.3 3,-0.1 -0.707 20.5 140.8-159.1 97.6 -26.5 5.7 83.9 63 63 A V + 0 0 29 5,-0.5 2,-0.1 1,-0.3 6,-0.1 0.726 62.8 34.3-104.9 -80.0 -27.3 2.0 84.5 64 64 A D > - 0 0 92 4,-0.2 4,-3.2 1,-0.1 -1,-0.3 -0.447 67.7-135.3 -80.0 152.0 -25.6 0.6 87.6 65 65 A D T 4 S+ 0 0 159 2,-0.2 4,-0.1 1,-0.2 -1,-0.1 0.852 105.2 54.3 -70.6 -36.4 -25.1 2.6 90.9 66 66 A D T 4 S+ 0 0 131 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.951 119.6 33.2 -60.9 -51.9 -21.6 1.3 91.3 67 67 A T T 4 S+ 0 0 66 1,-0.1 -2,-0.2 3,-0.0 2,-0.1 0.989 99.8 170.9 -65.9 -62.3 -20.6 2.5 87.8 68 68 A G < + 0 0 15 -4,-3.2 -5,-0.5 2,-0.1 2,-0.2 -0.449 37.9 1.4 88.2-159.9 -23.0 5.4 88.0 69 69 A K E -C 62 0B 95 -7,-0.2 2,-0.5 -2,-0.1 -7,-0.2 -0.475 55.9-170.3 -71.4 129.9 -23.3 8.3 85.6 70 70 A I E -C 61 0B 21 -9,-2.8 -9,-1.8 -2,-0.2 2,-0.4 -0.946 4.6-163.0-124.1 108.1 -21.1 8.4 82.5 71 71 A E E -C 60 0B 23 -2,-0.5 2,-0.5 -11,-0.2 -11,-0.2 -0.758 8.0-163.4 -89.9 136.1 -21.2 11.6 80.5 72 72 A L E -C 59 0B 0 -13,-2.9 -13,-2.1 -2,-0.4 2,-0.4 -0.975 9.9-177.4-125.0 119.6 -19.8 11.3 77.0 73 73 A I E S-CD 58 111B 0 38,-1.7 38,-3.1 -2,-0.5 -15,-0.2 -0.956 76.2 -10.0-117.4 135.0 -18.7 14.2 74.8 74 74 A N E S- 0 0 3 -17,-2.8 -1,-0.2 -2,-0.4 -16,-0.1 0.882 90.4-172.3 47.9 46.7 -17.5 13.7 71.3 75 75 A P E - 0 0 4 0, 0.0 2,-0.3 0, 0.0 35,-0.2 -0.348 14.1-177.7 -70.6 147.5 -17.4 9.9 71.9 76 76 A S E - D 0 109B 48 33,-2.5 33,-2.7 -2,-0.1 2,-0.6 -0.987 26.7-125.2-139.7 148.1 -15.9 7.4 69.4 77 77 A I E - D 0 108B 50 -2,-0.3 31,-0.2 31,-0.2 3,-0.1 -0.861 24.2-179.9 -95.9 121.1 -15.7 3.6 69.7 78 78 A L E + 0 0 76 29,-2.8 2,-0.3 -2,-0.6 30,-0.2 0.735 67.4 14.0 -90.2 -27.7 -12.1 2.4 69.3 79 79 A E E - D 0 107B 80 28,-1.4 28,-2.2 2,-0.0 2,-0.4 -0.997 56.1-172.9-151.8 146.4 -12.8 -1.3 69.6 80 80 A K E + D 0 106B 118 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.996 10.6 175.4-138.9 138.3 -15.7 -3.7 69.5 81 81 A R E + D 0 105B 152 24,-2.2 24,-2.6 -2,-0.4 23,-0.7 -0.997 45.5 0.6-144.9 142.5 -15.6 -7.4 70.3 82 82 A G E S- 0 0 51 -2,-0.3 22,-1.0 22,-0.2 2,-0.3 0.045 70.5-104.9 73.1 172.0 -18.3 -10.1 70.6 83 83 A E E - D 0 103B 138 20,-0.3 2,-0.3 21,-0.1 20,-0.2 -0.962 21.9-168.7-139.3 154.1 -22.0 -9.8 70.1 84 84 A Q E - D 0 102B 34 18,-2.3 18,-2.5 -2,-0.3 2,-0.4 -0.995 7.3-158.5-143.0 140.1 -25.2 -9.6 72.2 85 85 A V E + D 0 101B 80 -2,-0.3 16,-0.2 16,-0.2 14,-0.1 -0.970 36.4 109.1-122.9 132.6 -28.8 -9.9 71.1 86 86 A G E - 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