==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 03-MAY-10 3MUO . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS PUNCTATA; . AUTHOR T.K.CHIU . 684 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 440 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 23.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 45 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 1 0 1 0 1 0 1 0 2 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 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 0 PARALLEL BRIDGES PER LADDER . 1 1 5 5 3 9 1 0 1 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 4 1 0 0 1 1 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 7 A L 0 0 106 0, 0.0 2,-0.7 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 120.7 44.4 63.1 130.4 2 8 A H - 0 0 173 43,-0.1 3,-0.1 3,-0.0 43,-0.0 -0.876 360.0-157.6-110.7 106.7 47.0 63.9 133.1 3 9 A Y - 0 0 61 -2,-0.7 39,-0.1 1,-0.1 3,-0.1 -0.456 32.8 -97.5 -77.1 151.5 50.3 61.9 132.9 4 10 A P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.317 48.5 -97.8 -62.6 153.8 52.4 61.5 136.0 5 11 A V - 0 0 140 -3,-0.1 2,-0.6 1,-0.0 -3,-0.0 -0.618 38.6-164.0 -75.5 127.8 55.2 64.1 136.2 6 12 A T - 0 0 23 -2,-0.4 -1,-0.0 623,-0.1 -3,-0.0 -0.939 13.8-139.9-115.9 109.2 58.5 62.5 134.9 7 13 A R - 0 0 113 -2,-0.6 2,-0.5 1,-0.1 0, 0.0 -0.265 9.8-131.3 -67.9 154.9 61.5 64.5 135.9 8 14 A Q - 0 0 130 16,-0.1 16,-0.2 17,-0.0 -1,-0.1 -0.942 21.8-154.0-110.6 121.4 64.4 64.9 133.5 9 15 A G - 0 0 23 14,-3.2 15,-0.0 -2,-0.5 13,-0.0 -0.207 23.2-113.8 -84.1-178.3 67.9 64.3 134.8 10 16 A E + 0 0 191 11,-0.1 -1,-0.1 -2,-0.1 14,-0.1 0.282 61.3 139.1-101.7 8.5 71.2 65.6 133.6 11 17 A Q - 0 0 80 11,-0.4 11,-2.6 12,-0.1 2,-0.4 -0.285 25.8-178.9 -60.0 133.2 72.8 62.4 132.3 12 18 A V E -A 21 0A 64 9,-0.2 2,-0.2 10,-0.1 9,-0.2 -0.992 8.1-160.5-135.3 125.2 74.7 62.7 129.1 13 19 A D E -A 20 0A 19 7,-3.1 7,-3.0 -2,-0.4 2,-0.4 -0.691 7.7-143.5-102.2 159.1 76.4 59.8 127.4 14 20 A H E -A 19 0A 121 -2,-0.2 2,-0.5 5,-0.2 5,-0.2 -0.981 10.8-170.4-127.3 137.9 79.1 59.9 124.8 15 21 A Y E > S-A 18 0A 25 3,-2.2 3,-2.2 -2,-0.4 566,-0.1 -0.954 83.2 -25.1-127.1 107.8 79.7 57.7 121.8 16 22 A F T 3 S- 0 0 106 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.893 130.0 -49.5 54.1 38.5 83.0 58.2 120.0 17 23 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.259 111.1 124.8 87.2 -11.9 82.9 61.7 121.5 18 24 A Q E < -A 15 0A 95 -3,-2.2 -3,-2.2 1,-0.0 -1,-0.2 -0.720 57.7-131.8 -87.2 124.7 79.4 62.5 120.4 19 25 A A E -A 14 0A 66 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.508 24.0-178.2 -78.0 138.3 77.1 63.6 123.2 20 26 A V E -A 13 0A 8 -7,-3.0 -7,-3.1 -2,-0.2 2,-0.2 -0.975 21.3-134.9-135.7 120.8 73.7 62.1 123.6 21 27 A A E -A 12 0A 67 -2,-0.4 -9,-0.2 -9,-0.2 -10,-0.1 -0.525 15.8-171.8 -78.6 142.6 71.3 63.2 126.4 22 28 A D > + 0 0 7 -11,-2.6 3,-1.8 -2,-0.2 -11,-0.4 -0.662 10.2 171.1-132.2 75.1 69.4 60.6 128.5 23 29 A P T 3 S+ 0 0 35 0, 0.0 -14,-3.2 0, 0.0 3,-0.3 0.717 79.1 48.8 -59.1 -23.4 67.0 62.5 130.7 24 30 A Y T > S+ 0 0 10 -16,-0.2 3,-2.0 1,-0.2 4,-0.2 0.132 71.1 119.3-106.3 22.7 65.2 59.4 131.9 25 31 A R G X + 0 0 48 -3,-1.8 3,-2.2 1,-0.3 4,-0.2 0.827 65.9 67.7 -53.3 -35.1 68.3 57.5 132.8 26 32 A W G > S+ 0 0 32 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.753 85.3 69.5 -60.9 -23.8 67.1 57.3 136.4 27 33 A L G < S+ 0 0 1 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.575 83.9 73.0 -71.5 -6.4 64.3 55.0 135.3 28 34 A E G < S+ 0 0 22 -3,-2.2 2,-1.5 -4,-0.2 -1,-0.3 0.642 74.4 88.4 -78.8 -16.3 67.0 52.3 134.7 29 35 A D X - 0 0 82 -3,-1.6 3,-1.4 -4,-0.2 6,-0.3 -0.677 59.3-176.7 -85.4 92.0 67.3 51.9 138.4 30 36 A D T 3 S+ 0 0 44 -2,-1.5 -1,-0.2 1,-0.3 -3,-0.0 0.597 76.6 52.7 -67.3 -10.0 64.7 49.2 139.0 31 37 A R T 3 S+ 0 0 149 -3,-0.1 -1,-0.3 4,-0.0 -2,-0.1 0.464 81.2 109.4-105.4 -0.7 65.2 49.2 142.7 32 38 A S S <> S- 0 0 16 -3,-1.4 4,-2.3 -6,-0.2 3,-0.2 -0.479 70.4-131.8 -78.3 145.4 64.8 52.9 143.5 33 39 A P H > S+ 0 0 103 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.850 108.9 59.1 -60.9 -31.0 61.8 54.2 145.4 34 40 A E H > S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.893 107.1 44.1 -64.8 -43.2 61.5 56.9 142.7 35 41 A T H > S+ 0 0 3 -6,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.924 113.0 51.4 -70.0 -42.2 61.2 54.3 139.9 36 42 A E H X S+ 0 0 110 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.885 110.5 49.4 -61.4 -37.6 58.7 52.2 141.9 37 43 A A H X S+ 0 0 57 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.869 108.7 53.0 -68.4 -37.3 56.5 55.2 142.5 38 44 A W H X S+ 0 0 10 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.906 107.7 51.5 -64.8 -42.2 56.6 56.2 138.8 39 45 A V H X S+ 0 0 22 -4,-2.2 4,-2.7 2,-0.2 606,-0.2 0.920 110.7 47.5 -61.5 -44.7 55.4 52.7 137.9 40 46 A K H X S+ 0 0 162 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.922 113.1 49.2 -63.1 -43.6 52.5 52.9 140.3 41 47 A A H X S+ 0 0 36 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.917 112.4 47.3 -62.2 -44.8 51.5 56.3 139.1 42 48 A Q H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 601,-0.2 0.945 111.4 50.3 -63.8 -46.4 51.7 55.3 135.4 43 49 A N H X S+ 0 0 31 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.892 108.9 53.3 -59.1 -38.3 49.6 52.1 136.1 44 50 A A H X S+ 0 0 62 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.929 110.1 46.8 -62.1 -45.2 47.0 54.2 137.9 45 51 A V H X S+ 0 0 26 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.940 113.8 48.5 -62.3 -45.4 46.6 56.6 134.9 46 52 A T H X S+ 0 0 0 -4,-2.7 4,-2.8 597,-0.3 5,-0.2 0.938 112.0 47.9 -61.7 -46.3 46.4 53.7 132.5 47 53 A Q H X S+ 0 0 72 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.891 110.8 51.6 -63.4 -37.6 43.8 51.9 134.6 48 54 A D H X S+ 0 0 125 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.896 111.4 48.0 -65.6 -38.5 41.7 55.1 134.9 49 55 A Y H >< S+ 0 0 34 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.963 113.4 46.3 -66.2 -49.4 41.8 55.6 131.1 50 56 A L H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 -2,-0.2 0.817 101.5 67.3 -61.8 -31.9 40.8 51.9 130.4 51 57 A A H 3< S+ 0 0 65 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.710 91.6 62.3 -62.8 -20.4 38.0 52.1 133.0 52 58 A Q T << S+ 0 0 91 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.584 78.7 100.2 -81.9 -10.0 36.2 54.7 130.8 53 59 A I X - 0 0 7 -3,-1.8 3,-1.5 -4,-0.3 4,-0.4 -0.684 63.5-155.2 -82.5 111.9 35.8 52.1 128.0 54 60 A P T 3 S+ 0 0 95 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.742 87.5 43.8 -56.5 -32.5 32.3 50.7 128.2 55 61 A Y T 3> S+ 0 0 11 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.251 80.9 98.6-102.0 13.0 32.9 47.3 126.6 56 62 A R H <> S+ 0 0 50 -3,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.925 86.6 48.1 -65.6 -41.1 36.2 46.4 128.3 57 63 A A H > S+ 0 0 65 -4,-0.4 4,-2.5 -3,-0.2 5,-0.2 0.910 110.0 52.8 -64.7 -39.6 34.4 44.1 130.7 58 64 A A H > S+ 0 0 32 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.896 108.8 49.6 -62.6 -40.5 32.4 42.5 127.9 59 65 A I H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.920 111.1 49.5 -64.8 -42.8 35.6 41.7 126.0 60 66 A K H X S+ 0 0 80 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.910 113.2 45.9 -63.4 -41.2 37.2 40.2 129.1 61 67 A E H X S+ 0 0 143 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.882 111.9 52.1 -69.7 -35.2 34.1 38.0 129.8 62 68 A K H X S+ 0 0 33 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.925 112.2 46.1 -64.2 -44.7 33.9 37.0 126.1 63 69 A L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.932 113.2 48.4 -62.5 -49.5 37.6 35.9 126.2 64 70 A A H X S+ 0 0 24 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.911 111.5 49.9 -60.6 -43.6 37.2 34.0 129.5 65 71 A A H < S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.897 114.0 44.0 -63.6 -40.6 34.1 32.1 128.4 66 72 A S H < S+ 0 0 16 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.740 112.1 53.3 -76.7 -22.0 35.7 31.0 125.1 67 73 A W H < S+ 0 0 31 -4,-1.7 2,-2.0 -5,-0.2 -1,-0.2 0.719 85.8 96.0 -80.4 -25.3 39.0 30.1 126.8 68 74 A N < + 0 0 91 -4,-1.3 2,-0.3 -5,-0.2 22,-0.1 -0.431 57.0 106.9 -72.3 73.7 37.1 27.9 129.3 69 75 A Y S S- 0 0 26 -2,-2.0 338,-0.1 20,-0.3 2,-0.1 -0.988 75.4 -87.6-148.0 150.5 37.4 24.4 127.7 70 76 A A - 0 0 47 -2,-0.3 336,-0.5 336,-0.2 2,-0.4 -0.337 42.1-171.3 -62.4 135.4 39.4 21.3 128.5 71 77 A K E +B 87 0B 50 16,-2.5 16,-2.3 334,-0.1 2,-0.3 -0.967 5.3 179.7-128.5 143.4 42.9 21.1 127.0 72 78 A E E -B 86 0B 63 -2,-0.4 14,-0.2 14,-0.2 2,-0.1 -0.995 13.3-145.7-147.1 139.2 45.3 18.1 127.1 73 79 A G - 0 0 26 12,-2.5 316,-0.0 -2,-0.3 -2,-0.0 -0.361 39.2 -73.1 -96.3 178.7 48.8 17.5 125.7 74 80 A A - 0 0 44 -2,-0.1 11,-0.4 1,-0.1 -1,-0.2 -0.379 56.1-104.2 -69.6 149.0 50.5 14.4 124.2 75 81 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.450 26.4-154.6 -78.2 148.4 51.4 11.6 126.6 76 82 A F E -C 83 0B 71 7,-2.8 7,-3.6 -2,-0.1 2,-0.6 -0.990 8.9-147.4-124.2 123.4 55.0 11.0 127.8 77 83 A W E +C 82 0B 107 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.814 30.7 149.7 -99.2 123.5 56.0 7.5 128.9 78 84 A W E > -C 81 0B 23 3,-2.5 3,-1.4 -2,-0.6 2,-0.1 -0.906 63.2 -29.4-152.4 121.6 58.7 7.1 131.6 79 85 A G T 3 S- 0 0 49 -2,-0.3 52,-0.1 1,-0.2 53,-0.1 -0.457 122.4 -27.0 70.3-144.9 58.9 4.3 134.1 80 86 A R T 3 S+ 0 0 153 51,-0.1 21,-0.4 -2,-0.1 2,-0.3 0.460 124.5 76.1 -84.2 1.3 55.6 2.7 135.0 81 87 A Y E < -C 78 0B 11 -3,-1.4 -3,-2.5 19,-0.2 2,-0.5 -0.788 64.7-144.5-116.9 157.6 53.6 5.9 134.2 82 88 A H E -CD 77 99B 76 17,-2.3 17,-1.8 -2,-0.3 2,-0.4 -0.958 27.3-154.4-111.4 131.2 52.4 7.9 131.3 83 89 A Y E +CD 76 98B 5 -7,-3.6 -7,-2.8 -2,-0.5 2,-0.3 -0.876 19.6 164.9-110.7 143.9 52.6 11.7 132.0 84 90 A F E - 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0 0 82 -2,-0.3 2,-0.4 28,-0.1 -7,-0.2 -0.395 38.5-128.5 -68.1 147.7 48.7 23.6 133.2 95 101 A V E -D 86 0B 2 -9,-3.1 -9,-2.4 15,-0.1 2,-0.6 -0.810 8.4-132.2-103.3 138.3 48.6 20.6 135.6 96 102 A L E -DE 85 109B 5 13,-2.7 12,-2.9 -2,-0.4 13,-2.2 -0.801 30.6-179.4 -92.2 117.9 50.9 17.5 135.2 97 103 A W E -DE 84 107B 50 -13,-3.0 -13,-2.1 -2,-0.6 2,-0.3 -0.681 6.4-166.3-109.1 165.0 48.9 14.3 135.5 98 104 A R E -DE 83 106B 1 8,-2.4 8,-2.9 -2,-0.2 2,-0.3 -0.970 5.0-173.3-148.2 161.9 50.1 10.7 135.3 99 105 A Q E -D 82 0B 78 -17,-1.8 -17,-2.3 -2,-0.3 2,-0.4 -0.958 9.1-156.6-159.2 137.4 48.6 7.3 135.0 100 106 A Q > - 0 0 28 -2,-0.3 3,-1.8 4,-0.3 -19,-0.2 -0.883 44.2 -82.8-114.7 150.4 49.8 3.7 135.1 101 107 A E T 3 S+ 0 0 189 -21,-0.4 -1,-0.1 -2,-0.4 -21,-0.0 -0.156 114.1 21.8 -50.7 140.2 48.1 0.8 133.5 102 108 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.448 112.6 83.6 82.4 -0.7 45.2 -0.7 135.4 103 109 A K S < S- 0 0 113 -3,-1.8 -1,-0.2 3,-0.0 2,-0.1 -0.945 81.6 -99.3-136.2 157.3 44.7 2.5 137.5 104 110 A P - 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