==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-AUG-09 3IUL . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS PUNCTATA; . AUTHOR T.K.CHIU . 669 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 23.6 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 . 7 1.0 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 . 46 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 15.7 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 2 0 1 0 1 0 1 0 2 1 0 0 1 0 2 0 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 . 0 1 7 4 1 10 0 1 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 6 1 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 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 99 0, 0.0 2,-0.6 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 154.9 4.8 20.2 55.3 2 8 A H - 0 0 120 43,-0.1 3,-0.1 3,-0.0 43,-0.0 -0.684 360.0-170.4-114.7 72.7 4.8 17.0 57.4 3 9 A Y - 0 0 64 -2,-0.6 39,-0.1 1,-0.1 3,-0.1 -0.276 31.4-103.0 -64.4 149.8 6.9 14.5 55.5 4 10 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.353 46.3 -95.4 -66.8 156.3 6.9 11.0 56.8 5 11 A V - 0 0 133 -3,-0.1 2,-0.5 1,-0.0 36,-0.1 -0.531 36.5-156.6 -69.2 138.6 10.0 10.0 58.7 6 12 A T - 0 0 20 -2,-0.2 -1,-0.0 619,-0.1 -3,-0.0 -0.957 16.9-131.3-121.3 111.8 12.6 8.3 56.5 7 13 A R - 0 0 112 -2,-0.5 2,-0.5 1,-0.1 19,-0.1 -0.291 14.2-143.3 -60.0 140.1 15.0 6.2 58.5 8 14 A Q - 0 0 132 16,-0.1 16,-0.2 17,-0.1 2,-0.1 -0.942 17.4-164.6-110.0 124.8 18.7 6.6 57.8 9 15 A G - 0 0 26 14,-2.6 15,-0.0 -2,-0.5 13,-0.0 -0.351 27.2-115.2 -98.2-177.0 20.9 3.5 57.9 10 16 A E + 0 0 190 -2,-0.1 2,-0.1 11,-0.1 14,-0.1 0.175 57.3 141.9-108.4 18.0 24.6 3.1 58.0 11 17 A Q - 0 0 83 11,-0.4 11,-2.7 12,-0.1 2,-0.4 -0.371 27.5-173.1 -59.8 134.2 25.3 1.5 54.7 12 18 A V E -A 21 0A 65 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.990 6.2-156.8-133.8 124.7 28.6 2.8 53.2 13 19 A D E -A 20 0A 17 7,-3.3 7,-3.3 -2,-0.4 2,-0.4 -0.700 4.5-146.7-101.4 154.9 29.8 1.9 49.7 14 20 A H E +A 19 0A 128 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.972 15.7 176.5-126.4 131.5 33.3 2.0 48.3 15 21 A Y E > S-A 18 0A 25 3,-2.6 3,-3.0 -2,-0.4 562,-0.1 -0.982 78.1 -23.8-133.3 118.5 34.5 2.8 44.7 16 22 A F T 3 S- 0 0 96 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.886 129.0 -48.3 45.2 47.0 38.2 2.9 44.0 17 23 A G T 3 S+ 0 0 78 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.281 113.7 120.0 81.3 -11.4 38.9 3.6 47.6 18 24 A Q E < -A 15 0A 72 -3,-3.0 -3,-2.6 2,-0.0 2,-0.3 -0.772 55.1-142.5 -93.1 127.5 36.3 6.3 47.9 19 25 A A E -A 14 0A 55 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.678 15.8-172.3 -89.7 139.5 33.5 5.8 50.5 20 26 A V E -A 13 0A 12 -7,-3.3 -7,-3.3 -2,-0.3 2,-0.2 -0.978 19.1-134.0-134.7 118.9 30.0 6.9 49.7 21 27 A A E -A 12 0A 68 -2,-0.4 -9,-0.2 -9,-0.2 -10,-0.1 -0.493 16.4-172.2 -72.2 140.1 27.2 6.8 52.4 22 28 A D > + 0 0 6 -11,-2.7 3,-1.6 -2,-0.2 -11,-0.4 -0.651 11.0 169.8-132.0 74.1 23.9 5.3 51.2 23 29 A P T 3 S+ 0 0 40 0, 0.0 -14,-2.6 0, 0.0 3,-0.3 0.719 77.8 49.7 -59.9 -22.8 21.5 6.0 54.2 24 30 A Y T > + 0 0 11 -16,-0.2 3,-1.6 1,-0.2 4,-0.3 0.038 69.5 123.3-107.2 27.8 18.3 5.0 52.2 25 31 A R G X + 0 0 51 -3,-1.6 3,-2.0 1,-0.3 4,-0.3 0.855 67.9 63.2 -54.0 -37.8 19.8 1.7 50.9 26 32 A W G > S+ 0 0 38 -3,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.772 89.6 67.3 -62.0 -25.5 16.8 -0.2 52.5 27 33 A L G < S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.591 80.7 79.8 -71.5 -8.2 14.4 1.7 50.2 28 34 A E G < S+ 0 0 31 -3,-2.0 2,-1.2 -4,-0.3 590,-0.3 0.770 78.4 74.5 -68.7 -24.2 16.0 -0.2 47.3 29 35 A D X - 0 0 89 -3,-1.4 3,-1.4 -4,-0.3 6,-0.3 -0.726 64.4-177.4 -91.3 94.7 13.8 -3.2 48.2 30 36 A D T 3 S+ 0 0 24 -2,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.526 77.2 53.8 -71.8 -3.3 10.4 -2.1 47.0 31 37 A R T 3 S+ 0 0 152 4,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.445 79.7 109.4-110.4 1.9 8.7 -5.2 48.3 32 38 A S S <> S- 0 0 21 -3,-1.4 4,-2.5 -6,-0.2 5,-0.2 -0.424 77.3-119.6 -74.7 152.0 9.8 -5.1 51.9 33 39 A P H > S+ 0 0 110 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.885 113.0 54.0 -59.3 -37.6 7.2 -4.3 54.5 34 40 A E H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.924 110.7 44.7 -64.3 -43.4 9.1 -1.2 55.6 35 41 A T H > S+ 0 0 0 -6,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.919 111.6 52.6 -67.3 -41.8 9.3 0.2 52.1 36 42 A E H X S+ 0 0 85 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.868 109.7 49.2 -63.6 -34.6 5.7 -0.5 51.4 37 43 A A H X S+ 0 0 61 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.913 110.5 50.6 -68.5 -42.4 4.7 1.3 54.6 38 44 A W H X S+ 0 0 11 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.933 108.4 53.1 -59.7 -44.1 6.9 4.3 53.6 39 45 A V H X S+ 0 0 12 -4,-2.8 4,-2.4 1,-0.2 602,-0.2 0.925 110.3 47.5 -56.9 -44.9 5.2 4.3 50.1 40 46 A K H X S+ 0 0 160 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.905 112.7 48.3 -64.1 -42.7 1.8 4.5 51.8 41 47 A A H X S+ 0 0 38 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.908 111.6 49.8 -64.4 -44.0 2.9 7.3 54.1 42 48 A Q H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 597,-0.2 0.920 110.5 49.6 -62.5 -44.0 4.4 9.3 51.3 43 49 A N H X S+ 0 0 29 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.858 107.1 55.8 -63.6 -35.1 1.3 9.0 49.1 44 50 A A H X S+ 0 0 63 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.927 111.1 44.0 -63.8 -43.4 -0.9 10.1 52.1 45 51 A V H X S+ 0 0 17 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.899 114.3 49.1 -68.4 -41.1 1.1 13.3 52.4 46 52 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 593,-0.2 -2,-0.2 0.937 112.6 47.8 -63.8 -44.8 1.2 13.9 48.6 47 53 A Q H X S+ 0 0 68 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.882 109.1 52.9 -64.8 -37.4 -2.6 13.4 48.3 48 54 A D H < S+ 0 0 74 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.913 110.7 48.4 -64.9 -38.6 -3.3 15.7 51.3 49 55 A Y H >< S+ 0 0 43 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.917 113.1 46.6 -65.4 -45.0 -1.2 18.5 49.7 50 56 A L H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.838 101.2 66.8 -67.1 -32.6 -2.9 18.0 46.3 51 57 A A T 3< S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.681 92.4 63.1 -62.8 -16.9 -6.3 18.0 48.0 52 58 A Q T < S+ 0 0 109 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.538 76.2 106.4 -84.6 -8.3 -5.7 21.7 48.9 53 59 A I X - 0 0 9 -3,-1.9 3,-1.4 -4,-0.2 4,-0.4 -0.643 60.5-153.2 -80.4 114.6 -5.6 22.8 45.3 54 60 A P T 3 S+ 0 0 94 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.844 90.5 38.7 -51.2 -44.9 -8.8 24.7 44.4 55 61 A Y T 3> S+ 0 0 11 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.262 83.0 100.4 -98.0 13.3 -8.8 24.0 40.7 56 62 A R H <> S+ 0 0 38 -3,-1.4 4,-2.4 1,-0.2 5,-0.2 0.939 85.4 48.9 -62.7 -45.3 -7.6 20.4 40.6 57 63 A A H > S+ 0 0 64 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.883 110.7 51.3 -61.5 -38.1 -11.1 19.0 40.2 58 64 A A H > S+ 0 0 45 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.908 109.8 49.2 -65.4 -42.5 -11.7 21.5 37.3 59 65 A I H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.920 112.3 48.1 -63.2 -44.1 -8.5 20.4 35.5 60 66 A K H X S+ 0 0 60 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.871 108.3 55.2 -64.1 -38.5 -9.4 16.8 35.9 61 67 A E H X S+ 0 0 143 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.920 109.1 46.3 -61.3 -45.4 -12.9 17.4 34.6 62 68 A K H X S+ 0 0 60 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.917 113.8 48.8 -65.0 -43.0 -11.6 19.0 31.4 63 69 A L H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 3,-0.4 0.923 111.3 50.4 -61.7 -45.3 -9.0 16.2 30.9 64 70 A A H X S+ 0 0 45 -4,-2.9 4,-0.5 1,-0.2 3,-0.4 0.898 110.5 48.3 -61.0 -42.9 -11.6 13.5 31.4 65 71 A A H < S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.690 118.9 39.0 -72.9 -19.8 -14.1 15.0 28.9 66 72 A S H < S+ 0 0 8 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.438 93.7 87.2-109.5 -0.9 -11.5 15.5 26.2 67 73 A W H < S+ 0 0 47 -4,-1.0 2,-0.4 -3,-0.4 394,-0.1 0.896 84.1 49.0 -67.9 -45.0 -9.5 12.3 26.6 68 74 A N < + 0 0 72 -4,-0.5 2,-0.3 393,-0.0 22,-0.1 -0.843 64.9 152.4-104.4 135.1 -11.5 9.8 24.5 69 75 A Y - 0 0 38 -2,-0.4 20,-0.2 20,-0.2 334,-0.1 -0.988 45.0 -89.5-156.0 153.4 -12.5 10.6 20.9 70 76 A A - 0 0 46 18,-0.3 332,-0.7 -2,-0.3 2,-0.3 -0.273 38.6-165.5 -64.9 148.0 -13.3 8.8 17.7 71 77 A K E -B 87 0B 105 16,-2.5 16,-2.0 330,-0.1 2,-0.3 -0.952 4.3-165.6-134.5 153.8 -10.5 8.0 15.2 72 78 A E E -B 86 0B 62 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -1.000 7.8-146.3-143.8 140.9 -10.6 6.9 11.6 73 79 A G - 0 0 26 12,-2.6 312,-0.1 -2,-0.3 -2,-0.0 -0.497 37.5 -77.8-100.4 172.6 -8.0 5.5 9.2 74 80 A A - 0 0 36 -2,-0.2 11,-0.4 1,-0.1 2,-0.2 -0.332 49.4-112.2 -67.4 148.5 -7.4 5.8 5.5 75 81 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.565 31.8-167.8 -83.2 146.3 -9.6 3.8 3.1 76 82 A F E -C 83 0B 56 7,-2.5 7,-3.5 -2,-0.2 2,-0.3 -0.998 18.2-122.4-136.5 140.9 -8.1 1.0 1.0 77 83 A R E +C 82 0B 116 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.648 30.3 166.7 -87.0 133.1 -9.6 -0.9 -1.9 78 84 A E E > -C 81 0B 25 3,-2.4 3,-1.6 -2,-0.3 2,-0.2 -0.921 67.9 -43.6-143.6 113.3 -10.1 -4.6 -2.0 79 85 A G T 3 S- 0 0 37 -2,-0.3 52,-0.1 50,-0.3 53,-0.1 -0.469 122.6 -21.0 66.9-127.3 -12.3 -6.1 -4.7 80 86 A R T 3 S+ 0 0 106 -2,-0.2 21,-0.6 51,-0.1 2,-0.3 0.116 124.9 73.0-102.9 19.3 -15.5 -4.0 -5.0 81 87 A Y E < -CD 78 100B 10 -3,-1.6 -3,-2.4 19,-0.1 2,-0.4 -0.883 68.4-135.8-130.6 162.6 -15.3 -2.4 -1.6 82 88 A H E -CD 77 99B 71 17,-1.6 17,-2.0 -2,-0.3 2,-0.3 -0.966 26.2-159.4-115.8 132.6 -13.3 0.2 0.3 83 89 A Y E +CD 76 98B 0 -7,-3.5 -7,-2.5 -2,-0.4 2,-0.3 -0.820 14.9 168.6-113.5 154.6 -12.2 -0.8 3.8 84 90 A F E - 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0 0 111 0, 0.0 -4,-0.3 0, 0.0 -2,-0.1 -0.506 53.8 -91.8 -78.8 149.7 -23.7 3.3 3.8 105 111 A A - 0 0 29 -2,-0.2 2,-0.3 -6,-0.1 -6,-0.2 -0.195 45.8-160.6 -56.2 150.1 -20.6 2.0 5.5 106 112 A E E -E 98 0B 64 -8,-3.3 -8,-3.0 -3,-0.1 2,-0.3 -0.936 26.3 -99.3-133.7 155.9 -21.1 -1.2 7.4 107 113 A V E +E 97 0B 64 -2,-0.3 -10,-0.2 -10,-0.2 3,-0.1 -0.590 40.3 174.4 -73.0 133.4 -19.1 -3.0 10.2 108 114 A F E + 0 0 4 -12,-3.0 2,-0.3 -2,-0.3 -11,-0.2 0.790 65.2 3.4-109.2 -45.1 -17.1 -5.8 8.5 109 115 A L E -E 96 0B 12 -13,-2.1 -13,-2.8 0, 0.0 -1,-0.3 -0.912 58.3-172.2-149.1 116.8 -14.9 -7.2 11.3 110 116 A D > - 0 0 33 -2,-0.3 3,-1.0 -15,-0.2 4,-0.2 -0.887 4.6-170.6-115.1 100.4 -15.0 -6.2 14.9 111 117 A P G > S+ 0 0 2 0, 0.0 3,-1.4 0, 0.0 9,-0.2 0.723 82.0 70.2 -59.0 -26.3 -12.2 -7.9 17.0 112 118 A N G > S+ 0 0 36 1,-0.3 3,-1.1 -19,-0.2 8,-0.1 0.901 94.6 54.0 -59.8 -41.8 -13.8 -6.7 20.2 113 119 A T G < S+ 0 0 104 -3,-1.0 -1,-0.3 1,-0.2 5,-0.0 0.451 85.1 88.4 -73.4 -0.7 -16.7 -9.1 19.8 114 120 A L G < S+ 0 0 60 -3,-1.4 -1,-0.2 6,-0.2 -2,-0.1 0.557 100.3 3.0 -76.9 -7.0 -14.2 -12.0 19.5 115 121 A S S < S- 0 0 22 -3,-1.1 -1,-0.1 1,-0.2 5,-0.0 -0.980 78.2 -94.8-170.5 161.3 -14.1 -12.6 23.2 116 122 A P S S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.946 123.2 17.1 -44.1 -80.9 -15.5 -11.6 26.7 117 123 A D S S- 0 0 122 1,-0.0 -4,-0.1 -4,-0.0 -5,-0.0 0.437 113.7-112.3 -76.6 1.1 -12.9 -9.1 27.9 118 124 A G + 0 0 15 -6,-0.1 -5,-0.1 1,-0.1 -4,-0.0 0.944 69.2 146.6 66.7 47.5 -11.8 -8.9 24.3 119 125 A T + 0 0 59 -7,-0.1 2,-0.6 2,-0.1 -1,-0.1 0.250 47.1 90.3 -96.4 8.3 -8.4 -10.5 25.0 120 126 A T - 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