==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAY-10 3MUN . 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) . 27053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 64.9 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 . 1 0.1 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 . 48 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 15.1 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 1 0 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 98 0, 0.0 2,-0.6 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 145.5 44.4 63.0 130.9 2 8 A H - 0 0 172 43,-0.0 3,-0.1 3,-0.0 43,-0.0 -0.937 360.0-143.6-113.1 119.8 47.4 64.1 133.1 3 9 A Y - 0 0 59 -2,-0.6 3,-0.1 629,-0.1 39,-0.1 -0.497 32.2 -97.3 -78.1 147.4 50.6 62.2 132.9 4 10 A P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.294 50.0 -96.0 -59.6 150.9 52.6 61.7 136.1 5 11 A V - 0 0 140 -3,-0.1 2,-0.6 1,-0.0 -3,-0.0 -0.569 40.1-159.8 -71.0 126.3 55.4 64.2 136.3 6 12 A T - 0 0 22 -2,-0.4 -1,-0.0 623,-0.1 -3,-0.0 -0.916 13.0-135.2-115.4 107.3 58.6 62.7 135.0 7 13 A R - 0 0 114 -2,-0.6 2,-0.6 1,-0.1 19,-0.1 -0.173 10.8-137.3 -56.1 145.1 61.8 64.4 136.2 8 14 A Q - 0 0 130 16,-0.1 16,-0.2 17,-0.0 -1,-0.1 -0.937 20.2-157.8-112.5 113.6 64.6 65.1 133.6 9 15 A G - 0 0 24 14,-3.2 15,-0.0 -2,-0.6 13,-0.0 -0.125 23.8-116.9 -80.1-178.9 68.1 64.4 134.8 10 16 A E + 0 0 193 11,-0.1 -1,-0.1 2,-0.0 14,-0.1 0.233 59.1 140.9-105.2 13.0 71.4 65.8 133.6 11 17 A Q - 0 0 79 11,-0.4 11,-2.5 12,-0.1 2,-0.4 -0.318 25.8-177.4 -60.1 133.0 73.0 62.5 132.4 12 18 A V E -A 21 0A 65 9,-0.2 2,-0.3 10,-0.1 9,-0.2 -0.991 7.1-161.1-135.6 124.4 75.0 62.8 129.1 13 19 A D E -A 20 0A 18 7,-3.1 7,-2.9 -2,-0.4 2,-0.4 -0.708 7.1-144.8-103.1 157.8 76.7 59.9 127.4 14 20 A H E -A 19 0A 119 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.981 9.9-169.9-126.7 136.6 79.4 60.1 124.8 15 21 A Y E > S-A 18 0A 25 3,-2.6 3,-2.0 -2,-0.4 566,-0.1 -0.951 83.2 -24.3-126.6 107.5 79.9 57.8 121.8 16 22 A F T 3 S- 0 0 111 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.884 130.6 -48.5 55.8 39.4 83.3 58.3 120.1 17 23 A G T 3 S+ 0 0 66 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.242 112.3 123.8 87.8 -13.3 83.3 61.8 121.5 18 24 A Q E < -A 15 0A 82 -3,-2.0 -3,-2.6 1,-0.0 -1,-0.2 -0.714 57.4-133.1 -87.4 126.0 79.8 62.6 120.5 19 25 A A E -A 14 0A 57 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.529 23.3-179.0 -80.3 140.3 77.4 63.7 123.3 20 26 A V E -A 13 0A 11 -7,-2.9 -7,-3.1 -2,-0.2 2,-0.2 -0.976 22.2-133.7-138.6 120.5 73.9 62.2 123.6 21 27 A A E -A 12 0A 66 -2,-0.4 -9,-0.2 -9,-0.2 -10,-0.1 -0.497 16.5-172.3 -78.1 146.2 71.6 63.3 126.5 22 28 A D > + 0 0 7 -11,-2.5 3,-1.7 -2,-0.2 -11,-0.4 -0.636 9.5 171.7-136.7 74.4 69.7 60.8 128.5 23 29 A P T 3 S+ 0 0 33 0, 0.0 -14,-3.2 0, 0.0 3,-0.3 0.686 79.2 49.6 -59.0 -20.7 67.2 62.7 130.8 24 30 A Y T > S+ 0 0 12 -16,-0.2 3,-1.7 1,-0.2 4,-0.2 0.093 70.2 119.6-109.3 24.9 65.5 59.5 132.0 25 31 A R G X + 0 0 45 -3,-1.7 3,-2.4 1,-0.3 4,-0.3 0.850 65.4 68.3 -54.6 -37.4 68.6 57.6 132.9 26 32 A W G > S+ 0 0 32 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.760 85.2 68.7 -57.8 -25.9 67.4 57.4 136.5 27 33 A L G < S+ 0 0 2 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.585 83.2 74.8 -70.2 -7.3 64.6 55.1 135.4 28 34 A E G < S+ 0 0 23 -3,-2.4 2,-1.4 -4,-0.2 -1,-0.3 0.691 74.4 87.6 -75.8 -18.2 67.3 52.5 134.7 29 35 A D X - 0 0 84 -3,-1.6 3,-1.1 -4,-0.3 6,-0.3 -0.683 59.1-177.0 -84.7 92.5 67.6 52.0 138.5 30 36 A D T 3 S+ 0 0 46 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.0 0.650 77.2 51.5 -66.6 -15.9 64.9 49.3 139.1 31 37 A R T 3 S+ 0 0 155 -3,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.488 81.6 108.2-101.5 -3.2 65.4 49.3 142.8 32 38 A S S <> S- 0 0 18 -3,-1.1 4,-2.0 -6,-0.2 3,-0.2 -0.458 71.4-130.4 -76.0 147.1 65.1 53.0 143.6 33 39 A P H > S+ 0 0 102 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.827 108.6 59.7 -62.7 -30.7 62.0 54.3 145.5 34 40 A E H > S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.905 106.1 44.6 -64.9 -44.0 61.7 57.0 142.8 35 41 A T H > S+ 0 0 3 -6,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.915 113.0 51.2 -67.9 -42.1 61.4 54.5 139.9 36 42 A E H X S+ 0 0 114 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.844 109.6 50.5 -64.3 -33.8 58.9 52.3 141.9 37 43 A A H X S+ 0 0 60 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.878 108.7 52.1 -71.3 -38.1 56.8 55.4 142.6 38 44 A W H X S+ 0 0 10 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.914 108.2 51.2 -63.2 -43.8 56.8 56.3 138.9 39 45 A V H X S+ 0 0 26 -4,-2.2 4,-2.5 1,-0.2 606,-0.2 0.921 111.2 48.0 -59.1 -45.2 55.6 52.8 137.9 40 46 A K H X S+ 0 0 166 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.909 113.0 47.9 -63.1 -43.2 52.8 53.0 140.4 41 47 A A H X S+ 0 0 38 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.893 112.3 49.2 -66.6 -40.1 51.7 56.5 139.2 42 48 A Q H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 601,-0.2 0.940 110.1 50.0 -65.5 -46.8 51.9 55.4 135.5 43 49 A N H X S+ 0 0 30 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.887 108.7 53.9 -59.3 -38.1 49.8 52.3 136.1 44 50 A A H X S+ 0 0 61 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.924 109.7 46.6 -62.7 -44.6 47.2 54.4 137.9 45 51 A V H X S+ 0 0 25 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.917 114.1 48.5 -63.7 -42.6 46.8 56.8 135.0 46 52 A T H X S+ 0 0 0 -4,-2.5 4,-2.8 597,-0.3 5,-0.2 0.938 112.5 46.9 -63.5 -47.0 46.6 53.8 132.5 47 53 A Q H X S+ 0 0 72 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.867 111.0 52.9 -64.0 -35.9 44.0 52.0 134.6 48 54 A D H X S+ 0 0 121 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.902 111.3 46.7 -65.2 -40.6 42.0 55.2 135.0 49 55 A Y H >< S+ 0 0 29 -4,-2.1 3,-1.5 1,-0.2 4,-0.3 0.953 112.8 48.1 -66.3 -48.7 42.0 55.7 131.2 50 56 A L H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.795 100.5 68.2 -61.6 -29.3 41.0 52.1 130.5 51 57 A A H 3< S+ 0 0 67 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.708 91.1 61.4 -64.9 -20.7 38.2 52.4 133.1 52 58 A Q T << S+ 0 0 92 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.578 78.2 101.3 -82.8 -9.4 36.4 54.9 130.8 53 59 A I X - 0 0 7 -3,-1.5 3,-1.5 -4,-0.3 4,-0.4 -0.683 63.6-154.0 -82.2 111.0 36.0 52.3 128.0 54 60 A P T 3 S+ 0 0 95 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.724 87.7 42.9 -53.9 -32.2 32.4 50.9 128.2 55 61 A Y T 3> S+ 0 0 11 1,-0.2 4,-2.0 2,-0.1 5,-0.2 0.245 80.2 99.5-105.1 14.6 33.1 47.6 126.6 56 62 A R H <> S+ 0 0 45 -3,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.917 86.5 48.4 -65.6 -40.8 36.3 46.5 128.3 57 63 A A H > S+ 0 0 66 -4,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.892 109.8 53.1 -64.8 -38.7 34.5 44.3 130.8 58 64 A A H > S+ 0 0 32 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 108.5 49.3 -63.2 -41.3 32.5 42.7 128.0 59 65 A I H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.934 111.2 50.1 -64.2 -43.7 35.7 41.9 126.0 60 66 A K H X S+ 0 0 81 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.908 112.7 45.8 -61.4 -43.1 37.3 40.3 129.2 61 67 A E H X S+ 0 0 142 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.866 111.7 51.9 -68.4 -36.2 34.2 38.2 129.8 62 68 A K H X S+ 0 0 33 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.932 112.4 46.5 -63.9 -45.4 34.0 37.1 126.2 63 69 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.940 113.0 48.1 -61.3 -51.4 37.7 36.1 126.3 64 70 A A H X S+ 0 0 25 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.922 112.3 48.6 -58.5 -46.1 37.4 34.2 129.6 65 71 A A H < S+ 0 0 74 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.913 114.1 45.2 -62.3 -43.0 34.3 32.3 128.4 66 72 A S H < S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.781 111.9 53.2 -72.0 -25.1 35.8 31.3 125.1 67 73 A W H < S+ 0 0 30 -4,-1.9 2,-2.0 -5,-0.2 -1,-0.2 0.721 85.1 96.6 -79.0 -23.6 39.1 30.3 126.8 68 74 A N < + 0 0 90 -4,-1.3 2,-0.3 -3,-0.3 22,-0.1 -0.446 56.7 107.2 -74.2 74.6 37.2 28.0 129.3 69 75 A Y S S- 0 0 24 -2,-2.0 338,-0.1 20,-0.4 2,-0.1 -0.987 74.8 -87.5-147.7 151.7 37.6 24.6 127.7 70 76 A A - 0 0 46 -2,-0.3 336,-0.5 336,-0.2 2,-0.3 -0.335 42.4-172.7 -63.1 136.4 39.5 21.4 128.4 71 77 A K E -B 87 0B 50 16,-2.4 16,-2.0 334,-0.1 2,-0.3 -0.959 3.7-177.8-129.5 147.5 43.0 21.2 126.9 72 78 A E E -B 86 0B 61 -2,-0.3 14,-0.2 14,-0.2 2,-0.1 -0.992 13.6-142.2-149.8 139.3 45.4 18.3 126.9 73 79 A G - 0 0 27 12,-2.5 316,-0.0 -2,-0.3 -2,-0.0 -0.380 39.6 -77.5 -94.1 175.5 49.0 17.7 125.7 74 80 A A - 0 0 41 -2,-0.1 11,-0.3 1,-0.1 -1,-0.1 -0.469 53.4-114.0 -71.5 139.9 50.6 14.7 124.1 75 81 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.377 27.2-163.4 -75.6 154.8 51.5 11.9 126.5 76 82 A F E -C 83 0B 72 7,-2.4 7,-3.8 -2,-0.1 2,-0.3 -0.998 11.5-136.7-139.4 136.3 55.1 10.8 127.3 77 83 A W E +C 82 0B 116 -2,-0.4 2,-0.3 5,-0.3 5,-0.2 -0.742 31.7 150.4 -99.6 140.1 56.2 7.6 129.0 78 84 A W E > -C 81 0B 42 3,-2.4 3,-1.3 -2,-0.3 2,-0.1 -0.840 64.4 -17.9-165.1 125.9 58.8 7.2 131.7 79 85 A G T 3 S- 0 0 41 -2,-0.3 -1,-0.1 1,-0.2 52,-0.1 -0.431 122.9 -33.7 70.3-151.2 59.0 4.6 134.4 80 86 A R T 3 S+ 0 0 160 51,-0.1 21,-0.3 -3,-0.1 2,-0.3 0.302 123.9 80.5 -86.2 10.8 55.6 2.8 135.0 81 87 A Y E < -C 78 0B 10 -3,-1.3 -3,-2.4 19,-0.1 2,-0.5 -0.879 65.8-144.3-123.1 152.7 53.7 6.0 134.2 82 88 A H E -CD 77 99B 87 17,-2.2 17,-1.6 -2,-0.3 2,-0.3 -0.945 28.9-153.6-107.2 128.3 52.5 7.9 131.1 83 89 A Y E +CD 76 98B 0 -7,-3.8 -7,-2.4 -2,-0.5 2,-0.3 -0.805 19.9 164.8-106.8 148.5 52.7 11.6 131.8 84 90 A F E - 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0 0 85 -2,-0.3 2,-0.4 28,-0.1 -7,-0.2 -0.408 38.5-129.1 -67.9 146.3 48.8 23.6 133.1 95 101 A V E -D 86 0B 2 -9,-3.2 -9,-2.2 15,-0.1 2,-0.7 -0.804 7.6-131.6-102.8 138.3 48.8 20.6 135.5 96 102 A L E +DE 85 109B 0 13,-2.6 12,-2.9 -2,-0.4 13,-2.2 -0.785 31.1 179.0 -91.9 116.5 51.0 17.5 135.1 97 103 A W E -DE 84 107B 63 -13,-2.9 -13,-2.2 -2,-0.7 2,-0.3 -0.643 6.6-168.3-107.6 167.5 49.0 14.3 135.4 98 104 A R E -DE 83 106B 2 8,-2.2 8,-2.7 -15,-0.2 2,-0.3 -0.970 3.6-171.1-152.3 161.6 50.2 10.7 135.2 99 105 A Q E -D 82 0B 79 -17,-1.6 -17,-2.2 -2,-0.3 2,-0.4 -0.968 8.7-155.5-159.5 139.2 48.6 7.3 134.9 100 106 A Q > - 0 0 30 -2,-0.3 3,-1.4 4,-0.3 -19,-0.1 -0.903 43.9 -82.7-117.2 148.7 49.7 3.7 135.0 101 107 A E T 3 S+ 0 0 195 -2,-0.4 -1,-0.1 -21,-0.3 -21,-0.0 -0.107 114.3 22.5 -48.3 139.1 47.9 0.8 133.4 102 108 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.599 112.7 80.9 78.8 11.6 45.0 -0.6 135.4 103 109 A K S < S- 0 0 117 -3,-1.4 -1,-0.2 3,-0.0 3,-0.1 -0.987 81.4-100.4-147.2 154.9 44.5 2.6 137.4 104 110 A P - 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