==== 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 3IUR . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROMONAS PUNCTATA; . AUTHOR T.K.CHIU . 679 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 62.9 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 . 154 22.7 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 . 43 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 1 1 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 8 4 2 8 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 5 2 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 0 102 0, 0.0 2,-0.5 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 119.6 15.5 10.9 39.1 2 8 A H - 0 0 170 43,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.954 360.0-144.8-120.1 115.8 17.3 9.2 36.2 3 9 A Y - 0 0 66 -2,-0.5 39,-0.1 1,-0.1 3,-0.1 -0.373 29.8 -98.6 -75.0 153.6 19.1 11.3 33.6 4 10 A P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.372 49.9 -97.2 -65.4 153.3 19.3 10.2 30.0 5 11 A V - 0 0 135 -3,-0.1 2,-0.5 1,-0.0 617,-0.0 -0.541 36.6-162.3 -73.1 138.1 22.5 8.5 29.1 6 12 A T - 0 0 22 -2,-0.2 2,-0.0 616,-0.1 -1,-0.0 -0.944 14.5-140.7-123.2 106.6 25.1 10.9 27.6 7 13 A R - 0 0 116 -2,-0.5 2,-0.5 1,-0.1 0, 0.0 -0.356 11.5-132.7 -68.2 147.9 27.8 8.9 25.8 8 14 A Q - 0 0 133 16,-0.1 16,-0.2 17,-0.1 -1,-0.1 -0.886 17.9-153.9-103.6 128.9 31.3 10.2 26.1 9 15 A G - 0 0 26 14,-3.3 15,-0.0 -2,-0.5 -1,-0.0 -0.139 21.5-118.8 -86.1-170.4 33.4 10.6 23.0 10 16 A E + 0 0 190 12,-0.1 14,-0.1 11,-0.1 -1,-0.0 0.263 58.2 140.2-116.0 8.6 37.2 10.4 22.8 11 17 A Q - 0 0 82 11,-0.3 11,-2.6 10,-0.1 2,-0.4 -0.293 27.2-176.0 -55.9 133.7 37.9 13.9 21.4 12 18 A V E -A 21 0A 62 9,-0.2 9,-0.2 10,-0.1 2,-0.2 -0.998 6.4-160.5-136.2 127.9 41.0 15.5 22.9 13 19 A D E -A 20 0A 19 7,-3.0 7,-2.7 -2,-0.4 2,-0.4 -0.665 6.3-144.4-105.4 163.9 42.1 19.0 22.2 14 20 A H E -A 19 0A 125 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.995 14.5-179.7-133.8 136.9 45.5 20.6 22.7 15 21 A Y E > S-A 18 0A 30 3,-2.4 3,-2.2 -2,-0.4 559,-0.1 -0.970 76.8 -23.3-136.3 116.6 46.5 24.1 23.7 16 22 A F T 3 S- 0 0 96 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.892 130.1 -45.1 48.0 48.0 50.2 25.1 24.1 17 23 A G T 3 S+ 0 0 78 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.424 114.1 121.2 79.8 -1.8 51.2 21.5 24.7 18 24 A Q E < -A 15 0A 66 -3,-2.2 -3,-2.4 2,-0.0 2,-0.3 -0.823 54.7-140.9-101.7 133.2 48.3 20.8 27.1 19 25 A A E -A 14 0A 66 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.702 17.6-176.2 -90.7 140.0 45.7 18.1 26.5 20 26 A V E -A 13 0A 12 -7,-2.7 -7,-3.0 -2,-0.3 2,-0.2 -0.950 18.7-138.4-139.2 115.2 42.1 18.8 27.3 21 27 A A E -A 12 0A 67 -2,-0.4 -9,-0.2 -9,-0.2 -10,-0.1 -0.493 14.3-172.1 -74.6 141.0 39.5 16.0 26.9 22 28 A D > + 0 0 5 -11,-2.6 3,-1.9 -2,-0.2 -11,-0.3 -0.602 10.9 170.1-133.2 70.5 36.1 17.0 25.5 23 29 A P T 3 S+ 0 0 31 0, 0.0 -14,-3.3 0, 0.0 3,-0.3 0.638 78.4 49.6 -57.0 -18.6 33.8 13.9 25.8 24 30 A Y T > + 0 0 9 -16,-0.2 3,-2.4 1,-0.2 4,-0.4 0.137 69.6 121.1-110.0 20.6 30.7 15.8 24.8 25 31 A R G X + 0 0 52 -3,-1.9 3,-2.0 1,-0.3 4,-0.2 0.840 67.7 65.1 -49.5 -37.3 32.1 17.3 21.7 26 32 A W G > S+ 0 0 38 1,-0.3 3,-1.2 -3,-0.3 -1,-0.3 0.737 89.1 66.5 -62.1 -22.6 29.4 15.6 19.7 27 33 A L G < S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.657 78.9 81.9 -73.6 -12.4 26.8 17.7 21.5 28 34 A E G < S+ 0 0 31 -3,-2.0 2,-1.1 -4,-0.4 587,-0.3 0.762 76.5 77.4 -64.0 -20.5 28.2 20.8 19.7 29 35 A D X - 0 0 87 -3,-1.2 3,-1.2 -4,-0.2 6,-0.3 -0.749 62.1-177.9 -91.5 95.4 26.1 19.8 16.7 30 36 A D T 3 S+ 0 0 31 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.449 78.7 51.0 -74.6 1.1 22.6 20.9 17.7 31 37 A R T 3 S+ 0 0 157 4,-0.0 -1,-0.2 5,-0.0 -2,-0.0 0.297 82.1 109.7-119.8 8.8 21.1 19.6 14.4 32 38 A S S <> S- 0 0 21 -3,-1.2 4,-2.7 -6,-0.2 5,-0.3 -0.531 77.0-118.1 -83.6 152.5 22.5 16.1 14.4 33 39 A P H > S+ 0 0 111 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.902 113.8 50.9 -55.3 -44.7 20.1 13.1 15.0 34 40 A E H > S+ 0 0 77 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.875 112.5 45.2 -64.9 -37.2 22.0 12.1 18.1 35 41 A T H > S+ 0 0 0 -6,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.941 111.8 50.9 -72.1 -46.1 21.9 15.5 19.7 36 42 A E H X S+ 0 0 88 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.815 110.5 50.1 -62.0 -29.2 18.2 16.2 18.9 37 43 A A H X S+ 0 0 59 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.865 109.9 51.1 -74.1 -36.6 17.3 12.8 20.4 38 44 A W H X S+ 0 0 10 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.925 108.6 51.9 -63.2 -46.2 19.3 13.8 23.5 39 45 A V H X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.2 599,-0.2 0.926 109.9 48.7 -56.2 -47.7 17.5 17.1 23.7 40 46 A K H X S+ 0 0 161 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.908 112.9 47.1 -60.9 -43.8 14.1 15.3 23.5 41 47 A A H X S+ 0 0 39 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.855 112.2 49.7 -67.6 -37.2 15.1 12.9 26.3 42 48 A Q H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 594,-0.2 0.924 109.8 51.3 -67.3 -44.2 16.5 15.7 28.6 43 49 A N H X S+ 0 0 30 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.866 107.3 54.1 -60.7 -35.9 13.3 17.7 28.1 44 50 A A H X S+ 0 0 62 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.902 110.2 45.7 -66.1 -41.6 11.2 14.6 29.1 45 51 A V H X S+ 0 0 29 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.918 114.9 48.2 -67.6 -42.1 13.2 14.2 32.3 46 52 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 590,-0.3 -2,-0.2 0.917 112.2 47.3 -65.1 -44.7 12.9 17.9 33.1 47 53 A Q H X S+ 0 0 76 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.887 111.7 51.9 -65.1 -36.8 9.2 18.1 32.4 48 54 A D H X S+ 0 0 125 -4,-1.9 4,-0.6 -5,-0.2 -1,-0.2 0.918 110.5 47.7 -65.1 -42.7 8.6 15.0 34.5 49 55 A Y H >< S+ 0 0 31 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.936 113.8 47.0 -63.6 -45.6 10.5 16.5 37.4 50 56 A L H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.775 98.7 70.5 -66.7 -28.9 8.7 19.8 37.2 51 57 A A H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.724 91.8 59.8 -61.9 -22.3 5.3 18.1 37.0 52 58 A Q T << S+ 0 0 98 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.482 75.7 107.7 -87.1 -1.4 5.6 17.0 40.6 53 59 A I X - 0 0 8 -3,-1.8 3,-1.3 1,-0.2 4,-0.4 -0.702 61.2-152.8 -82.3 112.7 5.8 20.6 41.8 54 60 A P T 3 S+ 0 0 94 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.805 87.7 38.5 -49.1 -48.0 2.4 21.3 43.6 55 61 A Y T 3> S+ 0 0 10 1,-0.2 4,-1.9 2,-0.1 5,-0.2 0.200 82.0 103.3 -97.6 14.5 2.2 25.1 43.1 56 62 A R H <> S+ 0 0 40 -3,-1.3 4,-2.3 1,-0.2 5,-0.2 0.917 83.6 49.2 -63.7 -41.3 3.6 25.4 39.6 57 63 A A H > S+ 0 0 70 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.878 108.7 52.9 -65.5 -37.4 0.1 25.8 38.0 58 64 A A H > S+ 0 0 43 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 109.9 48.1 -64.7 -41.3 -0.8 28.5 40.6 59 65 A I H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.938 112.4 48.5 -63.9 -46.5 2.4 30.5 39.8 60 66 A K H X S+ 0 0 78 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.895 109.4 54.5 -60.8 -38.8 1.8 30.2 36.1 61 67 A E H X S+ 0 0 145 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.917 109.5 45.5 -61.5 -46.5 -1.9 31.3 36.6 62 68 A K H X S+ 0 0 44 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.890 112.8 51.5 -65.7 -38.8 -0.9 34.5 38.4 63 69 A L H >X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 3,-0.8 0.964 112.1 45.2 -61.1 -53.1 1.8 35.3 35.8 64 70 A A H 3< S+ 0 0 48 -4,-2.7 4,-0.5 1,-0.2 3,-0.4 0.873 112.1 52.8 -58.9 -39.3 -0.6 34.9 32.9 65 71 A A H 3< S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.729 118.0 35.2 -70.2 -23.7 -3.3 37.0 34.7 66 72 A S H << S+ 0 0 5 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.381 92.9 91.9-111.6 2.7 -1.0 39.9 35.4 67 73 A W S < S+ 0 0 49 -4,-1.0 2,-0.4 -3,-0.4 391,-0.1 0.873 84.3 45.9 -66.1 -41.4 1.1 39.8 32.2 68 74 A N + 0 0 79 -4,-0.5 2,-0.3 -3,-0.0 22,-0.1 -0.859 64.7 152.5-110.0 140.6 -0.9 42.2 30.1 69 75 A Y - 0 0 34 -2,-0.4 331,-0.1 20,-0.2 20,-0.1 -0.987 44.4 -83.8-160.7 156.1 -2.3 45.6 31.1 70 76 A A - 0 0 47 -2,-0.3 329,-0.6 18,-0.2 2,-0.3 -0.211 40.0-167.5 -63.7 153.4 -3.4 49.0 29.6 71 77 A K E -B 87 0B 105 16,-2.6 16,-2.3 327,-0.1 2,-0.3 -0.961 7.6-170.5-140.5 155.2 -0.8 51.7 29.0 72 78 A E E -B 86 0B 56 -2,-0.3 14,-0.3 14,-0.2 2,-0.1 -0.992 14.0-138.6-148.5 140.8 -1.0 55.4 28.2 73 79 A G - 0 0 26 12,-3.2 309,-0.1 -2,-0.3 14,-0.0 -0.404 36.9 -78.6 -95.8 175.9 1.6 57.9 27.1 74 80 A A - 0 0 38 -2,-0.1 11,-0.3 1,-0.1 2,-0.1 -0.427 52.1-112.9 -71.1 145.5 2.2 61.5 28.1 75 81 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.491 30.1-167.9 -80.4 152.5 -0.0 64.1 26.4 76 82 A F E -C 83 0B 57 7,-2.4 7,-3.4 -2,-0.1 2,-0.4 -0.998 18.3-125.5-141.9 135.1 1.3 66.6 23.9 77 83 A R E +C 82 0B 83 -2,-0.4 2,-0.4 5,-0.3 5,-0.2 -0.667 29.1 168.5 -86.0 131.7 -0.5 69.7 22.5 78 84 A E E > -C 81 0B 25 3,-2.5 3,-1.7 -2,-0.4 2,-0.1 -0.953 66.9 -41.9-138.9 114.6 -0.8 70.2 18.8 79 85 A G T 3 S- 0 0 36 -2,-0.4 52,-0.1 50,-0.3 53,-0.1 -0.412 123.9 -19.9 64.5-133.9 -3.1 73.0 17.7 80 86 A R T 3 S+ 0 0 123 51,-0.1 21,-0.3 -2,-0.1 2,-0.3 0.262 124.3 73.0 -94.5 15.2 -6.3 73.0 19.7 81 87 A Y E < -C 78 0B 15 -3,-1.7 -3,-2.5 19,-0.1 2,-0.5 -0.890 68.6-136.4-126.1 157.4 -6.0 69.3 21.0 82 88 A H E -CD 77 99B 52 17,-2.3 17,-2.2 -2,-0.3 2,-0.3 -0.959 30.2-157.5-108.2 127.3 -3.9 67.4 23.4 83 89 A Y E +CD 76 98B 0 -7,-3.4 -7,-2.4 -2,-0.5 2,-0.3 -0.782 16.9 167.9-105.9 152.2 -2.8 64.1 21.8 84 90 A F E - 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