==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 03-NOV-02 1N51 . COMPND 2 MOLECULE: XAA-PRO AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.C.GRAHAM,M.J.MAHER,M.H.LEE,W.H.SIMMONS,H.C.FREEMAN,J.M.GUS . 443 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 13.1 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 31 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 1 2 1 2 0 1 0 0 2 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 3 3 1 3 0 2 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 . 2 1 2 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 S 0 0 83 0, 0.0 2,-0.3 0, 0.0 178,-0.0 0.000 360.0 360.0 360.0 165.5 42.0 57.9 64.8 2 2 A E - 0 0 126 177,-0.0 2,-0.6 264,-0.0 180,-0.1 -0.973 360.0 -77.4-167.7-178.9 39.1 60.3 65.9 3 3 A I - 0 0 19 -2,-0.3 2,-0.1 263,-0.0 263,-0.0 -0.854 44.4-139.6 -99.9 123.8 37.7 63.7 66.6 4 4 A S > - 0 0 23 -2,-0.6 4,-1.8 1,-0.1 3,-0.3 -0.388 21.3-115.5 -81.1 156.6 38.8 65.4 69.8 5 5 A R H > S+ 0 0 118 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.878 118.2 58.6 -54.9 -39.3 36.6 67.4 72.2 6 6 A Q H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.911 102.8 52.0 -57.6 -45.1 38.8 70.4 71.3 7 7 A E H > S+ 0 0 6 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.908 107.1 51.8 -59.7 -43.8 38.0 70.0 67.6 8 8 A F H X S+ 0 0 24 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.905 110.9 49.2 -60.3 -39.5 34.2 70.0 68.4 9 9 A Q H X S+ 0 0 69 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.935 109.2 52.0 -63.2 -47.6 34.8 73.2 70.4 10 10 A R H X S+ 0 0 128 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.904 108.7 50.9 -55.6 -45.0 36.8 74.8 67.5 11 11 A R H X S+ 0 0 11 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.936 110.3 47.9 -60.8 -47.9 34.0 74.0 65.1 12 12 A R H X S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 3,-0.2 0.927 113.9 47.8 -58.8 -44.6 31.3 75.6 67.3 13 13 A Q H X S+ 0 0 79 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.867 107.7 55.5 -64.7 -36.3 33.5 78.7 67.8 14 14 A A H X S+ 0 0 40 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.830 111.4 44.5 -66.0 -31.7 34.2 78.9 64.0 15 15 A L H >X S+ 0 0 2 -4,-1.7 3,-1.0 -3,-0.2 4,-0.5 0.915 113.2 49.8 -76.6 -44.7 30.4 79.0 63.4 16 16 A V H >< S+ 0 0 3 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.882 102.5 63.0 -59.7 -38.6 29.8 81.5 66.2 17 17 A E H 3< S+ 0 0 140 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.794 106.1 45.2 -57.9 -28.7 32.6 83.7 64.8 18 18 A Q H << S+ 0 0 110 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.510 95.7 98.2 -94.3 -4.8 30.6 84.1 61.6 19 19 A M S << S- 0 0 6 -3,-1.5 3,-0.1 -4,-0.5 4,-0.1 -0.541 78.8-109.3 -85.0 149.4 27.3 84.8 63.4 20 20 A Q - 0 0 96 -2,-0.2 3,-0.3 1,-0.1 46,-0.2 -0.285 43.0 -92.9 -69.8 158.9 25.9 88.3 63.9 21 21 A P S S+ 0 0 62 0, 0.0 46,-0.2 0, 0.0 47,-0.2 -0.495 109.8 29.7 -72.2 146.6 25.9 89.7 67.5 22 22 A G S S+ 0 0 15 44,-1.9 103,-2.7 1,-0.3 104,-1.6 0.970 99.7 112.1 69.4 54.1 22.6 89.0 69.3 23 23 A S E -Ab 66 126A 0 43,-1.7 43,-2.9 -3,-0.3 2,-0.3 -0.938 51.2-145.1-149.9 169.9 21.7 85.8 67.6 24 24 A A E -Ab 65 127A 0 102,-1.6 104,-3.3 -2,-0.3 2,-0.5 -0.998 8.5-145.2-144.5 138.9 21.3 82.1 68.1 25 25 A A E -Ab 64 128A 0 39,-2.6 39,-2.1 -2,-0.3 2,-0.6 -0.894 13.3-157.1-105.1 131.6 22.0 79.1 65.9 26 26 A L E -Ab 63 129A 0 102,-3.0 104,-0.6 -2,-0.5 2,-0.6 -0.937 11.5-179.2-113.8 115.4 19.6 76.1 66.2 27 27 A I E -A 62 0A 0 35,-2.4 35,-2.7 -2,-0.6 2,-0.3 -0.947 12.3-156.6-118.2 114.6 21.0 72.7 65.1 28 28 A F E -A 61 0A 11 -2,-0.6 21,-0.3 33,-0.2 33,-0.2 -0.637 12.2-123.9 -95.6 148.2 18.6 69.7 65.4 29 29 A A - 0 0 0 31,-2.2 30,-0.1 -2,-0.3 108,-0.1 -0.354 39.1 -91.7 -80.1 163.1 19.4 66.0 65.6 30 30 A A - 0 0 7 27,-0.1 29,-0.3 -2,-0.1 -1,-0.1 -0.491 41.1-119.7 -76.0 144.0 18.0 63.5 63.2 31 31 A P - 0 0 56 0, 0.0 13,-0.2 0, 0.0 2,-0.1 -0.454 33.0 -96.9 -80.3 158.8 14.7 61.8 64.1 32 32 A E - 0 0 100 -2,-0.1 2,-0.5 11,-0.1 11,-0.0 -0.429 40.4-141.1 -69.8 150.6 14.5 58.0 64.6 33 33 A V - 0 0 75 8,-0.3 8,-2.4 -2,-0.1 2,-0.1 -0.969 6.6-126.3-125.7 129.5 13.2 56.2 61.5 34 34 A T E -F 40 0B 89 -2,-0.5 6,-0.3 6,-0.2 3,-0.1 -0.410 19.5-177.8 -68.3 136.0 10.8 53.3 61.3 35 35 A R E S- 0 0 159 4,-3.1 2,-0.3 1,-0.3 5,-0.2 0.792 75.2 -22.2 -97.9 -44.9 12.0 50.2 59.4 36 36 A S E > S-F 39 0B 71 3,-1.8 3,-2.7 1,-0.1 -1,-0.3 -0.839 106.2 -42.8-168.6 127.3 8.8 48.2 60.0 37 37 A A T 3 S- 0 0 84 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 -0.272 128.1 -10.6 50.8-121.8 6.0 48.4 62.5 38 38 A D T 3 S+ 0 0 145 -4,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.205 115.8 96.4 -93.4 16.2 7.7 48.9 65.9 39 39 A S E < -F 36 0B 52 -3,-2.7 -4,-3.1 0, 0.0 -3,-1.8 -0.870 58.6-154.3-107.0 140.7 11.3 48.2 64.7 40 40 A E E -F 34 0B 93 -2,-0.4 -6,-0.2 -6,-0.3 3,-0.1 -0.781 20.2-108.8-112.5 157.1 13.7 51.0 63.7 41 41 A Y - 0 0 121 -8,-2.4 -8,-0.3 -2,-0.3 3,-0.1 -0.414 58.2 -79.6 -73.7 155.8 16.7 51.3 61.5 42 42 A P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.391 65.6 -97.1 -57.6 135.4 20.0 51.6 63.3 43 43 A Y - 0 0 47 -3,-0.1 2,-0.4 13,-0.1 -11,-0.1 -0.257 38.4-167.7 -61.8 138.6 20.2 55.3 64.2 44 44 A R - 0 0 87 -13,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.957 17.6-135.8-129.4 111.4 22.1 57.7 62.0 45 45 A Q - 0 0 3 -2,-0.4 11,-0.1 1,-0.1 -16,-0.1 -0.321 33.0 -94.9 -66.0 145.7 22.8 61.2 63.4 46 46 A N > - 0 0 15 1,-0.1 4,-2.8 2,-0.1 5,-0.2 -0.406 35.4-128.7 -59.0 133.6 22.2 64.2 61.2 47 47 A S H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.893 105.2 46.3 -54.5 -47.6 25.6 65.0 59.7 48 48 A D H > S+ 0 0 4 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.886 113.4 48.8 -65.9 -38.5 25.6 68.7 60.6 49 49 A F H >> S+ 0 0 0 -21,-0.3 4,-0.6 1,-0.2 3,-0.5 0.929 113.2 48.5 -65.2 -44.0 24.5 68.0 64.2 50 50 A W H >X S+ 0 0 50 -4,-2.8 4,-1.7 1,-0.2 3,-1.4 0.909 102.4 62.6 -60.3 -44.8 27.2 65.3 64.5 51 51 A Y H 3< S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.822 111.0 38.8 -50.7 -36.4 29.8 67.7 63.1 52 52 A F H << S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.479 136.2 11.3 -96.3 -3.4 29.3 70.0 66.1 53 53 A T H << - 0 0 6 -3,-1.4 -3,-0.2 -4,-0.6 -2,-0.2 0.605 68.7-139.9-142.2 -38.2 28.9 67.3 68.8 54 54 A G < + 0 0 24 -4,-1.7 2,-0.6 -5,-0.3 -4,-0.1 0.726 56.7 146.4 71.7 18.0 29.7 63.8 68.0 55 55 A F - 0 0 14 -6,-0.3 2,-0.3 -5,-0.1 -1,-0.3 -0.810 38.9-159.4 -93.7 119.5 26.6 63.0 70.0 56 56 A N + 0 0 86 -2,-0.6 -1,-0.1 -3,-0.1 -13,-0.1 -0.154 50.7 104.0 -95.7 42.4 24.6 60.0 68.7 57 57 A E - 0 0 25 -2,-0.3 3,-0.2 -13,-0.0 -27,-0.1 -0.900 59.9-131.6-123.3 150.5 21.1 60.6 70.2 58 58 A P S S+ 0 0 8 0, 0.0 21,-0.4 0, 0.0 3,-0.1 -0.301 85.7 46.2 -85.3 178.8 17.8 61.7 68.7 59 59 A E S S+ 0 0 80 -29,-0.3 2,-0.3 1,-0.2 20,-0.3 0.953 85.2 126.0 50.0 56.8 15.7 64.4 70.3 60 60 A A - 0 0 0 18,-0.2 -31,-2.2 -3,-0.2 2,-0.4 -0.993 38.9-168.8-142.9 142.8 18.6 66.7 70.9 61 61 A V E -AC 28 77A 0 16,-2.5 16,-2.8 -2,-0.3 2,-0.6 -0.993 11.9-148.5-139.0 128.8 19.1 70.3 69.9 62 62 A L E -AC 27 76A 0 -35,-2.7 -35,-2.4 -2,-0.4 2,-0.6 -0.861 14.0-166.9 -97.8 124.1 22.3 72.4 70.1 63 63 A V E -AC 26 75A 0 12,-2.9 12,-2.5 -2,-0.6 2,-0.6 -0.942 3.3-170.1-115.8 113.5 21.7 76.1 70.7 64 64 A L E -AC 25 74A 6 -39,-2.1 -39,-2.6 -2,-0.6 2,-0.5 -0.905 8.4-166.5-104.6 114.8 24.7 78.4 70.1 65 65 A I E -AC 24 73A 10 8,-2.9 8,-1.9 -2,-0.6 2,-0.6 -0.888 5.0-163.1-107.4 124.6 24.0 82.0 71.4 66 66 A K E +AC 23 72A 11 -43,-2.9 -44,-1.9 -2,-0.5 -43,-1.7 -0.910 15.7 172.2-111.6 113.7 26.2 84.9 70.5 67 67 A S E - 0 0 62 4,-1.8 2,-0.3 -2,-0.6 5,-0.2 0.923 69.5 -38.7 -79.5 -49.4 25.9 88.0 72.6 68 68 A D E > S- C 0 71A 61 3,-1.9 3,-1.2 -47,-0.2 -1,-0.3 -0.902 80.2 -60.5-160.7-174.0 28.9 89.8 70.9 69 69 A D T 3 S+ 0 0 132 -2,-0.3 3,-0.1 1,-0.3 -49,-0.0 0.608 133.5 27.2 -57.0 -15.8 32.4 89.3 69.5 70 70 A T T 3 S+ 0 0 113 1,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.327 113.2 69.3-129.1 5.3 33.8 88.0 72.8 71 71 A H E < +C 68 0A 107 -3,-1.2 -3,-1.9 2,-0.0 -4,-1.8 -0.981 50.2 135.1-133.1 125.9 30.7 86.6 74.5 72 72 A N E -C 66 0A 53 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.957 21.6-170.4-163.0 145.1 28.8 83.4 73.6 73 73 A H E -C 65 0A 73 -8,-1.9 -8,-2.9 -2,-0.3 2,-0.3 -0.924 14.1-132.6-137.3 163.3 27.3 80.5 75.4 74 74 A S E -C 64 0A 10 -2,-0.3 32,-1.1 -10,-0.2 2,-0.4 -0.914 9.9-166.9-124.0 148.4 25.7 77.2 74.5 75 75 A V E -Cd 63 106A 0 -12,-2.5 -12,-2.9 -2,-0.3 2,-0.5 -0.998 8.5-158.9-132.5 127.3 22.6 75.3 75.5 76 76 A L E -Cd 62 107A 1 30,-2.8 32,-2.9 -2,-0.4 2,-0.5 -0.918 2.0-159.2-109.9 131.4 22.0 71.6 74.7 77 77 A F E +Cd 61 108A 0 -16,-2.8 -16,-2.5 -2,-0.5 2,-0.3 -0.936 31.4 148.5-105.3 126.4 18.5 70.1 74.7 78 78 A N E - d 0 109A 0 30,-2.2 32,-2.2 -2,-0.5 33,-0.3 -0.968 50.4 -65.8-152.9 167.5 18.5 66.3 75.1 79 79 A R - 0 0 40 -21,-0.4 15,-0.6 -20,-0.3 2,-0.1 -0.296 50.7-122.6 -59.4 135.4 16.6 63.4 76.5 80 80 A V - 0 0 63 14,-0.2 2,-0.2 1,-0.1 14,-0.1 -0.423 35.0 -95.3 -74.9 152.1 16.3 63.3 80.3 81 81 A R - 0 0 138 -2,-0.1 2,-0.4 12,-0.1 -1,-0.1 -0.531 45.9-177.0 -71.0 134.7 17.7 60.2 82.1 82 82 A D > - 0 0 68 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.968 24.9-150.2-137.7 117.0 14.8 57.7 82.7 83 83 A L H > S+ 0 0 142 -2,-0.4 4,-1.8 2,-0.2 5,-0.1 0.902 99.5 44.3 -52.0 -45.5 15.4 54.4 84.6 84 84 A T H > S+ 0 0 98 2,-0.2 4,-1.1 1,-0.2 3,-0.3 0.989 113.3 46.2 -63.8 -64.0 12.6 52.7 82.6 85 85 A A H > S+ 0 0 14 1,-0.2 4,-3.3 2,-0.2 3,-0.3 0.845 115.3 48.9 -48.7 -41.2 13.4 54.0 79.0 86 86 A E H X S+ 0 0 20 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.882 102.1 57.9 -70.9 -40.7 17.1 53.2 79.5 87 87 A I H < S+ 0 0 128 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.749 123.6 30.5 -61.1 -19.2 16.7 49.6 80.9 88 88 A W H < S+ 0 0 194 -4,-1.1 2,-0.4 -3,-0.3 -2,-0.2 0.862 129.6 27.4-100.5 -69.0 14.9 49.1 77.6 89 89 A F H < S- 0 0 159 -4,-3.3 -2,-0.1 1,-0.2 -3,-0.1 -0.206 113.9 -87.2 -96.3 44.0 16.3 51.4 74.8 90 90 A G < - 0 0 38 -4,-0.8 -1,-0.2 -2,-0.4 -2,-0.2 0.330 59.7 -49.3 73.9 156.5 19.9 51.9 75.9 91 91 A R - 0 0 223 -3,-0.1 2,-0.3 -4,-0.1 -8,-0.0 -0.247 51.5-148.3 -62.4 145.6 21.7 54.3 78.2 92 92 A R - 0 0 49 1,-0.1 -11,-0.1 -10,-0.1 -1,-0.1 -0.840 14.8-132.7-115.2 153.4 21.1 58.1 77.8 93 93 A L > - 0 0 29 -2,-0.3 4,-0.6 -13,-0.1 -1,-0.1 0.961 42.0-169.1 -69.7 -52.1 23.5 60.9 78.4 94 94 A G H > - 0 0 0 -15,-0.6 4,-0.8 1,-0.1 -14,-0.2 -0.073 37.1 -74.9 84.4 171.5 21.1 63.1 80.4 95 95 A Q H 4 S+ 0 0 37 2,-0.2 -1,-0.1 1,-0.1 12,-0.1 0.827 120.4 60.0 -75.9 -35.0 21.4 66.7 81.6 96 96 A D H 4 S+ 0 0 153 1,-0.2 4,-0.4 2,-0.1 -1,-0.1 0.940 114.7 30.3 -61.6 -51.2 23.9 66.1 84.4 97 97 A A H X S+ 0 0 49 -4,-0.6 4,-2.9 1,-0.2 5,-0.2 0.649 101.1 84.4 -85.1 -14.7 26.8 64.7 82.4 98 98 A A H X S+ 0 0 0 -4,-0.8 4,-3.3 1,-0.2 6,-0.4 0.922 83.2 55.4 -54.4 -54.0 26.1 66.5 79.2 99 99 A P H >>S+ 0 0 42 0, 0.0 5,-0.9 0, 0.0 4,-0.6 0.889 118.6 33.9 -47.8 -47.2 27.9 69.8 80.0 100 100 A E H 45S+ 0 0 126 -4,-0.4 3,-0.2 -3,-0.2 -2,-0.2 0.936 120.7 48.9 -75.8 -47.7 31.2 68.0 80.7 101 101 A K H <5S+ 0 0 116 -4,-2.9 -3,-0.2 1,-0.2 -1,-0.1 0.919 126.5 24.9 -58.7 -49.4 30.8 65.2 78.2 102 102 A L H <5S- 0 0 21 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.370 105.1-119.0-100.2 3.5 29.9 67.4 75.2 103 103 A G T <5 + 0 0 30 -4,-0.6 2,-0.3 -5,-0.4 -3,-0.2 0.884 62.2 144.3 62.4 40.5 31.5 70.6 76.4 104 104 A V < - 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