==== 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 02-FEB-05 1YR2 . COMPND 2 MOLECULE: PROLYL OLIGOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM CAPSULATUM; . AUTHOR L.SHAN,I.I.MATHEWS,C.KHOSLA . 680 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 165 24.3 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 . 0 0.0 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 . 57 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 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 1 0 1 1 1 0 1 1 2 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 0 2 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 PARALLEL BRIDGES PER LADDER . 1 4 4 4 2 8 2 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 . 2 0 3 2 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 38 A P 0 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.6 49.7 23.0 -44.4 2 39 A P - 0 0 124 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.222 360.0-106.2 -66.7 144.3 46.1 23.6 -45.7 3 40 A Y - 0 0 71 624,-0.1 3,-0.1 1,-0.1 41,-0.1 -0.300 39.4 -96.4 -59.6 151.9 43.5 24.7 -43.2 4 41 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 36,-0.0 -0.294 58.0 -84.0 -60.3 153.6 40.8 22.2 -42.0 5 42 A A - 0 0 78 -3,-0.1 39,-0.1 1,-0.1 38,-0.1 -0.285 35.3-169.3 -63.5 143.0 37.6 22.5 -44.0 6 43 A S - 0 0 16 -3,-0.1 -1,-0.1 618,-0.1 -3,-0.0 -0.671 21.3-153.9-124.7 77.8 35.0 25.2 -43.1 7 44 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 617,-0.0 -0.177 8.7-135.0 -52.8 142.6 32.0 24.1 -45.3 8 45 A Q - 0 0 102 16,-0.1 16,-0.2 17,-0.0 -2,-0.0 -0.835 13.0-160.9-102.1 137.5 29.6 26.8 -46.3 9 46 A V - 0 0 80 14,-2.4 16,-0.3 -2,-0.4 13,-0.1 -0.958 37.4-124.8-108.2 101.5 25.8 26.6 -46.1 10 47 A P + 0 0 116 0, 0.0 2,-0.3 0, 0.0 11,-0.0 -0.203 43.2 162.2 -54.3 134.0 24.9 29.5 -48.5 11 48 A L + 0 0 58 2,-0.0 11,-2.3 14,-0.0 2,-0.4 -0.824 13.3 174.9-158.9 117.2 22.6 32.0 -46.8 12 49 A V E -A 21 0A 86 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.991 11.6-171.8-129.2 125.7 21.9 35.6 -47.8 13 50 A E E -A 20 0A 54 7,-2.1 7,-2.2 -2,-0.4 2,-0.5 -0.817 24.4-118.8-115.9 149.8 19.3 37.6 -46.0 14 51 A D E +A 19 0A 109 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.789 33.1 174.4 -88.4 124.6 17.8 41.0 -46.7 15 52 A H E > -A 18 0A 60 3,-2.7 3,-2.2 -2,-0.5 -2,-0.0 -0.974 69.7 -28.2-133.5 113.4 18.4 43.6 -43.9 16 53 A F T 3 S- 0 0 71 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.819 125.7 -46.7 54.1 40.4 17.3 47.2 -44.4 17 54 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.453 121.3 105.1 82.2 2.1 17.7 47.0 -48.2 18 55 A E E < -A 15 0A 70 -3,-2.2 -3,-2.7 2,-0.0 2,-0.4 -0.777 68.2-126.6-111.3 155.1 21.1 45.4 -48.0 19 56 A K E -A 14 0A 143 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.905 22.7-167.9-101.0 136.2 22.2 41.7 -48.5 20 57 A V E -A 13 0A 5 -7,-2.2 -7,-2.1 -2,-0.4 2,-0.4 -0.988 7.8-151.7-125.8 117.6 24.1 40.0 -45.7 21 58 A S E +A 12 0A 62 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.728 19.1 170.6 -88.6 138.8 25.9 36.7 -46.2 22 59 A D > + 0 0 1 -11,-2.3 3,-1.1 -2,-0.4 -13,-0.1 -0.581 7.3 162.1-146.2 70.8 26.3 34.4 -43.3 23 60 A P T 3 S+ 0 0 10 0, 0.0 -14,-2.4 0, 0.0 3,-0.2 0.566 73.5 52.0 -72.6 -10.6 27.6 31.0 -44.6 24 61 A W T > + 0 0 17 -16,-0.2 3,-2.1 1,-0.1 4,-0.2 0.041 63.5 121.4-116.4 24.8 28.8 29.8 -41.2 25 62 A R G X + 0 0 55 -3,-1.1 3,-2.0 -16,-0.3 4,-0.2 0.828 67.9 69.4 -56.9 -29.7 25.7 30.2 -39.2 26 63 A W G > S+ 0 0 39 1,-0.3 3,-1.5 -3,-0.2 -1,-0.3 0.759 84.9 69.2 -59.3 -25.6 25.9 26.5 -38.5 27 64 A L G < S+ 0 0 1 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.527 83.1 74.0 -73.3 -2.6 29.0 27.1 -36.4 28 65 A E G < S+ 0 0 42 -3,-2.0 -1,-0.3 -4,-0.2 589,-0.2 0.625 74.6 106.3 -79.4 -15.3 26.7 28.9 -33.8 29 66 A A S < S- 0 0 36 -3,-1.5 2,-0.3 -4,-0.2 5,-0.1 -0.306 87.1 -89.9 -69.7 151.4 25.3 25.5 -32.7 30 67 A D >> - 0 0 65 1,-0.1 3,-1.8 3,-0.1 4,-1.5 -0.434 26.9-143.2 -64.4 123.9 26.4 24.0 -29.3 31 68 A V T 34 S+ 0 0 18 578,-0.4 -1,-0.1 -2,-0.3 7,-0.1 0.758 98.3 62.0 -58.8 -26.2 29.5 21.9 -29.6 32 69 A R T 34 S+ 0 0 170 1,-0.2 -1,-0.3 577,-0.1 3,-0.1 0.677 118.5 23.2 -75.0 -19.9 28.1 19.5 -27.0 33 70 A T T <4 S+ 0 0 124 -3,-1.8 2,-0.5 1,-0.1 -2,-0.2 0.417 108.0 77.8-125.8 1.5 25.1 18.5 -29.1 34 71 A D X - 0 0 52 -4,-1.5 4,-2.5 1,-0.1 5,-0.2 -0.945 54.0-164.8-123.2 108.7 26.1 19.2 -32.7 35 72 A A H > S+ 0 0 82 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.821 90.1 56.6 -55.2 -39.3 28.3 16.7 -34.4 36 73 A K H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.958 111.9 41.3 -64.0 -48.1 29.2 19.1 -37.3 37 74 A V H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.921 113.7 53.9 -64.6 -42.6 30.5 21.8 -34.9 38 75 A A H X S+ 0 0 37 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.906 109.1 48.7 -59.4 -40.8 32.3 19.1 -32.7 39 76 A A H X S+ 0 0 61 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.899 112.8 47.0 -68.7 -39.5 34.1 17.8 -35.8 40 77 A W H X S+ 0 0 10 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.934 112.5 50.1 -67.2 -46.1 35.2 21.3 -36.9 41 78 A V H X S+ 0 0 15 -4,-3.1 4,-2.5 2,-0.2 5,-0.3 0.918 110.1 49.9 -58.2 -45.8 36.3 22.1 -33.3 42 79 A Q H X S+ 0 0 156 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.934 114.4 44.9 -61.2 -45.7 38.4 18.9 -33.1 43 80 A A H X S+ 0 0 43 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.903 116.0 44.8 -63.7 -45.1 40.1 19.6 -36.5 44 81 A Q H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.923 113.4 51.0 -69.2 -41.0 40.9 23.3 -35.9 45 82 A S H X S+ 0 0 40 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.912 113.6 43.3 -63.6 -44.6 42.1 22.6 -32.3 46 83 A A H X S+ 0 0 61 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.903 113.1 53.4 -68.7 -39.1 44.5 19.9 -33.4 47 84 A Y H X S+ 0 0 43 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.892 112.9 43.4 -60.5 -44.5 45.6 21.9 -36.4 48 85 A T H X S+ 0 0 1 -4,-2.6 4,-2.8 590,-0.3 -1,-0.2 0.905 111.1 53.5 -70.7 -39.9 46.5 24.9 -34.2 49 86 A A H X S+ 0 0 38 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.911 106.8 53.4 -63.9 -39.6 48.1 22.8 -31.5 50 87 A A H < S+ 0 0 59 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.823 112.5 44.4 -60.0 -38.4 50.4 21.2 -34.2 51 88 A Y H >< S+ 0 0 51 -4,-1.2 3,-1.3 -5,-0.2 4,-0.3 0.920 112.7 49.5 -70.9 -48.2 51.5 24.6 -35.3 52 89 A L H >< S+ 0 0 3 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.819 101.2 62.8 -65.8 -31.8 52.0 26.2 -31.9 53 90 A K T 3< S+ 0 0 175 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.674 98.9 59.6 -65.0 -20.9 54.2 23.2 -30.7 54 91 A Q T < S+ 0 0 149 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.549 76.4 106.7 -82.8 -15.4 56.7 24.2 -33.4 55 92 A L X - 0 0 10 -3,-1.4 3,-1.1 -4,-0.3 4,-0.3 -0.582 56.5-157.9 -75.1 119.8 57.3 27.7 -32.1 56 93 A P T 3 S+ 0 0 104 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.656 86.2 65.3 -74.2 -11.8 60.8 27.8 -30.5 57 94 A E T 3> S+ 0 0 28 1,-0.2 4,-1.5 599,-0.2 3,-0.4 0.695 83.7 80.7 -77.2 -16.4 60.0 31.0 -28.4 58 95 A R H <> S+ 0 0 46 -3,-1.1 4,-2.9 1,-0.2 5,-0.2 0.852 82.5 56.3 -63.7 -44.5 57.4 29.1 -26.3 59 96 A A H > S+ 0 0 72 -4,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.882 108.9 45.6 -53.8 -47.7 59.7 27.2 -23.9 60 97 A A H > S+ 0 0 50 -3,-0.4 4,-2.0 -4,-0.4 -1,-0.2 0.854 114.5 48.5 -71.0 -35.2 61.4 30.3 -22.6 61 98 A L H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.912 110.7 49.5 -71.6 -43.8 58.1 32.2 -22.2 62 99 A E H X S+ 0 0 39 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.871 112.3 49.7 -59.6 -40.9 56.3 29.3 -20.4 63 100 A K H X S+ 0 0 160 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.888 111.3 48.1 -66.8 -44.5 59.2 29.0 -18.0 64 101 A R H X S+ 0 0 38 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.942 113.5 47.3 -60.7 -47.7 59.3 32.8 -17.3 65 102 A M H >X S+ 0 0 1 -4,-2.5 3,-1.0 1,-0.2 4,-0.7 0.925 108.9 52.9 -64.8 -45.4 55.5 32.9 -16.6 66 103 A K H >< S+ 0 0 113 -4,-2.3 3,-0.9 1,-0.2 4,-0.5 0.895 108.8 51.5 -53.1 -42.2 55.5 29.9 -14.4 67 104 A A H 3< S+ 0 0 47 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.745 107.1 54.6 -73.1 -18.1 58.2 31.5 -12.3 68 105 A L H << S+ 0 0 3 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.552 92.4 73.4 -88.3 -14.4 56.2 34.8 -11.9 69 106 A I S << S+ 0 0 35 -3,-0.9 2,-0.6 -4,-0.7 -1,-0.1 0.891 87.6 50.8 -72.9 -47.4 52.9 33.3 -10.5 70 107 A D + 0 0 106 -4,-0.5 2,-0.3 -3,-0.1 -1,-0.1 -0.861 64.8 137.0-107.3 119.2 53.5 32.3 -6.9 71 108 A Y - 0 0 60 -2,-0.6 334,-0.1 20,-0.1 20,-0.1 -0.979 53.2 -87.9-152.7 158.8 55.1 34.8 -4.5 72 109 A E - 0 0 44 332,-0.4 2,-0.4 -2,-0.3 18,-0.2 -0.264 38.3-161.2 -66.1 154.6 54.5 35.9 -0.9 73 110 A R E -B 89 0B 116 16,-2.0 16,-2.0 313,-0.0 2,-0.4 -0.998 6.7-155.6-142.7 135.9 52.1 38.7 -0.1 74 111 A F E -B 88 0B 32 -2,-0.4 14,-0.2 311,-0.2 2,-0.2 -0.857 14.4-138.6-105.5 140.9 51.7 41.0 3.0 75 112 A G - 0 0 16 12,-2.5 312,-0.1 -2,-0.4 14,-0.0 -0.511 41.3 -79.6 -84.7 166.1 48.5 42.7 4.0 76 113 A L - 0 0 48 -2,-0.2 11,-0.3 1,-0.1 2,-0.1 -0.517 57.0-121.5 -64.6 131.4 48.3 46.2 5.2 77 114 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 9,-0.2 -0.436 16.1-150.8 -80.7 148.9 49.3 46.2 8.9 78 115 A Q E -C 85 0B 52 7,-2.8 7,-2.7 -2,-0.1 2,-0.5 -0.983 9.1-155.0-117.0 122.0 47.2 47.4 11.9 79 116 A R E +C 84 0B 40 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.876 21.6 163.8 -97.5 123.4 49.0 48.7 14.9 80 117 A R E > -C 83 0B 50 3,-2.4 3,-2.2 -2,-0.5 53,-0.2 -0.973 59.5 -41.6-138.8 130.6 47.2 48.5 18.3 81 118 A G T 3 S- 0 0 47 51,-0.6 53,-0.2 -2,-0.4 52,-0.1 -0.328 124.2 -16.2 57.7-124.0 48.9 48.8 21.7 82 119 A A T 3 S+ 0 0 73 51,-0.6 21,-2.7 -2,-0.1 22,-0.4 0.318 124.7 73.9 -92.0 5.8 52.2 47.0 21.8 83 120 A S E < -CD 80 102B 21 -3,-2.2 -3,-2.4 19,-0.3 2,-0.4 -0.840 59.3-149.3-130.5 154.1 51.5 45.0 18.7 84 121 A V E -CD 79 101B 2 17,-2.5 17,-2.0 -2,-0.3 2,-0.4 -0.989 18.3-161.1-120.1 138.1 51.2 45.0 14.9 85 122 A F E +CD 78 100B 0 -7,-2.7 -7,-2.8 -2,-0.4 2,-0.3 -0.927 19.3 154.5-121.1 133.4 48.8 42.7 13.0 86 123 A Y E - 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