==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-12 4AX4 . COMPND 2 MOLECULE: PROLYL OLIGOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR Z.SZELTNER,T.JUHASZ,I.SZAMOSI,D.REA,V.FULOP,K.MODOS,L.JULIAN . 700 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 0 0.0 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 . 68 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 14.9 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+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 0 0 2 0 2 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 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 2 3 5 3 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 . 1 0 3 2 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 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 1 A M 0 0 188 0, 0.0 2,-0.7 0, 0.0 657,-0.0 0.000 360.0 360.0 360.0-178.4 16.8 53.7 58.9 2 2 A L - 0 0 50 2,-0.1 2,-0.2 1,-0.1 657,-0.0 -0.922 360.0-179.2-108.1 101.2 20.6 53.5 58.4 3 3 A S + 0 0 113 -2,-0.7 2,-0.3 2,-0.1 -1,-0.1 -0.243 59.0 75.7 -94.8 42.3 21.6 56.7 56.5 4 4 A F S S- 0 0 50 -2,-0.2 2,-0.4 49,-0.0 -2,-0.1 -0.908 72.0-128.0-139.5 171.2 25.3 55.7 56.5 5 5 A Q - 0 0 173 -2,-0.3 3,-0.1 3,-0.0 -2,-0.1 -0.967 29.0-112.6-119.4 141.5 27.5 53.2 54.6 6 6 A Y - 0 0 43 -2,-0.4 40,-0.1 642,-0.1 3,-0.1 -0.466 44.6-102.6 -65.1 143.7 29.9 50.7 56.3 7 7 A P - 0 0 33 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.347 30.8-108.8 -70.8 147.4 33.5 51.6 55.7 8 8 A D - 0 0 166 -3,-0.1 2,-0.4 -2,-0.0 -3,-0.0 -0.590 40.7-166.5 -69.5 134.2 35.6 49.7 53.1 9 9 A V - 0 0 31 -2,-0.3 -3,-0.0 636,-0.1 -1,-0.0 -0.988 22.4-112.3-130.9 123.5 38.0 47.6 55.1 10 10 A Y - 0 0 166 -2,-0.4 2,-0.6 1,-0.1 -2,-0.0 -0.257 24.5-150.8 -57.2 132.1 41.1 45.9 53.5 11 11 A R - 0 0 52 17,-0.1 2,-1.5 18,-0.0 17,-0.2 -0.928 4.5-150.2-105.0 115.8 40.9 42.1 53.5 12 12 A D > - 0 0 42 15,-2.7 3,-1.7 -2,-0.6 14,-0.3 -0.705 17.0-178.2 -83.2 92.1 44.3 40.3 53.7 13 13 A E T 3 S+ 0 0 101 -2,-1.5 -1,-0.2 1,-0.3 15,-0.1 0.542 75.1 66.2 -74.2 -2.9 43.3 37.2 51.7 14 14 A T T 3 S+ 0 0 117 1,-0.1 2,-2.0 13,-0.1 -1,-0.3 0.522 71.7 102.4 -89.5 -5.2 46.8 35.8 52.2 15 15 A A < + 0 0 22 -3,-1.7 11,-2.9 2,-0.0 2,-0.4 -0.524 50.4 146.8 -83.2 78.8 46.3 35.5 55.9 16 16 A I E -A 25 0A 101 -2,-2.0 2,-0.4 9,-0.2 9,-0.2 -0.946 25.6-173.7-121.6 133.7 45.6 31.7 56.0 17 17 A Q E -A 24 0A 76 7,-2.7 7,-3.1 -2,-0.4 2,-0.6 -0.984 21.3-132.8-126.3 140.4 46.6 29.4 58.8 18 18 A D E -A 23 0A 75 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.822 18.5-169.1 -89.0 121.7 46.3 25.6 58.9 19 19 A Y E > S-A 22 0A 12 3,-3.0 3,-2.1 -2,-0.6 575,-0.1 -0.892 74.2 -41.9-111.4 97.5 44.7 24.3 62.1 20 20 A H T 3 S- 0 0 73 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.847 124.1 -41.3 57.1 38.1 45.1 20.6 62.2 21 21 A G T 3 S+ 0 0 59 1,-0.2 2,-0.7 0, 0.0 -1,-0.3 0.391 118.4 112.4 86.8 -1.6 44.2 20.4 58.5 22 22 A H E < -A 19 0A 81 -3,-2.1 -3,-3.0 2,-0.0 2,-0.4 -0.924 62.2-143.3-105.3 109.4 41.4 23.0 58.8 23 23 A K E -A 18 0A 139 -2,-0.7 2,-0.4 -5,-0.2 -5,-0.2 -0.625 18.1-170.2 -76.0 127.8 42.4 26.1 56.8 24 24 A V E -A 17 0A 13 -7,-3.1 -7,-2.7 -2,-0.4 2,-0.4 -0.984 10.3-149.7-121.4 127.1 41.3 29.3 58.5 25 25 A C E -A 16 0A 52 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.782 10.7-174.7 -94.3 140.6 41.5 32.7 56.9 26 26 A D > + 0 0 11 -11,-2.9 3,-2.2 -2,-0.4 4,-0.2 -0.608 11.2 168.6-129.4 69.5 42.0 35.8 59.1 27 27 A P T 3 S+ 0 0 13 0, 0.0 -15,-2.7 0, 0.0 3,-0.3 0.677 77.4 49.0 -66.2 -16.2 41.7 38.7 56.6 28 28 A Y T > S+ 0 0 4 -17,-0.2 3,-2.4 1,-0.2 4,-0.2 0.156 72.1 121.1-104.6 20.2 41.5 41.4 59.4 29 29 A A G X + 0 0 16 -3,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.763 61.9 71.2 -52.3 -30.6 44.5 40.0 61.3 30 30 A W G > S+ 0 0 60 1,-0.3 3,-1.4 -3,-0.3 -1,-0.3 0.665 76.6 78.0 -67.2 -16.4 46.2 43.4 60.9 31 31 A L G < + 0 0 2 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.564 69.8 90.3 -70.0 -1.8 43.8 45.0 63.3 32 32 A E G < S+ 0 0 81 -3,-1.8 -1,-0.3 -4,-0.2 606,-0.2 0.765 72.6 74.6 -62.2 -25.4 45.9 43.3 66.1 33 33 A D X - 0 0 76 -3,-1.4 3,-1.0 1,-0.1 6,-0.3 -0.818 62.0-171.2 -98.6 105.4 48.2 46.4 66.2 34 34 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.652 83.8 50.9 -71.1 -15.0 46.3 49.2 68.1 35 35 A D T 3 S+ 0 0 99 4,-0.1 2,-0.1 5,-0.0 -2,-0.0 0.455 81.8 109.3-104.1 -4.2 49.0 51.8 67.2 36 36 A S S <> S- 0 0 17 -3,-1.0 4,-2.5 -6,-0.1 5,-0.2 -0.381 75.5-123.3 -68.4 154.0 49.3 51.3 63.4 37 37 A E H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.869 112.9 56.2 -62.2 -36.2 47.9 54.0 61.1 38 38 A Q H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 110.0 42.6 -60.8 -48.1 45.7 51.3 59.5 39 39 A T H > S+ 0 0 2 -6,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.922 113.6 52.5 -69.3 -40.7 44.1 50.3 62.8 40 40 A K H X S+ 0 0 89 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.911 110.5 48.3 -61.0 -38.8 43.7 54.0 63.8 41 41 A A H X S+ 0 0 59 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.891 110.4 51.4 -69.5 -36.3 42.0 54.8 60.5 42 42 A F H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.939 110.5 49.1 -63.7 -49.0 39.7 51.8 60.9 43 43 A V H X S+ 0 0 6 -4,-2.9 4,-2.5 1,-0.2 622,-0.2 0.934 112.0 48.6 -54.7 -44.7 38.8 53.0 64.4 44 44 A E H X S+ 0 0 113 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.917 110.8 50.1 -66.0 -41.5 38.1 56.6 63.1 45 45 A A H X S+ 0 0 31 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.858 111.9 48.1 -65.5 -37.7 35.9 55.3 60.3 46 46 A Q H >X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-1.0 0.929 111.6 48.1 -69.2 -47.1 33.8 53.2 62.6 47 47 A N H 3X S+ 0 0 20 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.817 101.3 66.7 -61.4 -30.8 33.3 55.9 65.2 48 48 A K H 3< S+ 0 0 169 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.794 112.5 32.7 -61.8 -29.2 32.3 58.3 62.3 49 49 A I H S+ 0 0 77 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.875 112.2 55.0 -61.1 -32.4 26.0 60.1 65.0 53 53 A F H X S+ 0 0 16 -4,-1.3 4,-0.5 1,-0.2 3,-0.4 0.942 112.6 40.9 -63.5 -45.5 23.7 57.1 65.2 54 54 A L H < S+ 0 0 4 -4,-2.3 3,-0.2 1,-0.2 6,-0.2 0.834 119.3 45.2 -71.3 -32.0 23.8 57.0 69.0 55 55 A E H < S+ 0 0 108 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.524 91.4 82.6 -94.3 -5.3 23.5 60.8 69.4 56 56 A Q H < S+ 0 0 135 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.1 0.860 78.3 71.8 -70.1 -38.9 20.7 61.4 66.9 57 57 A C S >< S- 0 0 41 -4,-0.5 3,-2.3 -3,-0.2 4,-0.5 -0.721 78.0-137.7 -86.5 131.9 17.9 60.5 69.2 58 58 A P T 3> S+ 0 0 104 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.698 96.4 84.2 -52.1 -19.2 17.0 63.0 72.1 59 59 A I H 3> S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.854 80.4 57.8 -51.7 -40.2 16.6 59.7 74.0 60 60 A R H <> S+ 0 0 20 -3,-2.3 4,-3.0 -6,-0.2 -1,-0.2 0.935 108.2 46.4 -60.9 -43.4 20.4 59.6 74.8 61 61 A G H > S+ 0 0 44 -4,-0.5 4,-2.2 -3,-0.4 -1,-0.2 0.861 111.4 50.4 -67.3 -34.5 20.2 63.0 76.4 62 62 A L H X S+ 0 0 73 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.905 114.1 45.8 -66.9 -43.0 17.1 62.2 78.5 63 63 A Y H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.945 112.3 50.1 -64.4 -48.9 18.8 58.9 79.6 64 64 A K H X S+ 0 0 73 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.878 110.1 50.9 -58.7 -42.1 22.1 60.7 80.4 65 65 A E H X S+ 0 0 108 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.930 113.3 44.7 -60.2 -47.0 20.3 63.4 82.4 66 66 A R H X S+ 0 0 52 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.900 113.0 50.7 -65.4 -41.3 18.4 60.8 84.5 67 67 A M H X S+ 0 0 3 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.934 109.9 50.6 -60.2 -45.4 21.5 58.7 85.0 68 68 A T H < S+ 0 0 48 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.894 116.3 41.5 -63.4 -40.2 23.5 61.7 86.2 69 69 A E H >< S+ 0 0 87 -4,-2.1 3,-0.7 -5,-0.2 -2,-0.2 0.943 120.1 41.0 -71.1 -47.6 20.8 62.6 88.7 70 70 A L H 3< S+ 0 0 6 -4,-3.3 349,-0.3 1,-0.2 -2,-0.2 0.749 112.0 53.5 -81.3 -21.3 20.0 59.1 89.9 71 71 A Y T 3< S+ 0 0 49 -4,-2.7 2,-1.9 -5,-0.3 -1,-0.2 0.517 84.5 96.9 -83.4 -7.1 23.6 57.9 90.1 72 72 A D < + 0 0 60 -3,-0.7 -1,-0.1 -4,-0.3 22,-0.1 -0.555 56.0 118.6 -86.1 75.0 24.4 61.0 92.3 73 73 A Y S S- 0 0 27 -2,-1.9 2,-0.1 20,-0.3 18,-0.1 -0.957 74.0 -86.9-134.8 152.1 24.1 59.2 95.6 74 74 A P - 0 0 50 0, 0.0 2,-0.5 0, 0.0 18,-0.2 -0.362 40.0-161.8 -64.1 134.8 26.8 58.8 98.4 75 75 A K E +B 91 0B 39 16,-2.4 16,-2.3 -2,-0.1 2,-0.3 -0.988 13.5 176.2-125.4 121.8 28.9 55.7 97.9 76 76 A Y E -B 90 0B 51 -2,-0.5 2,-0.2 14,-0.2 14,-0.2 -0.907 23.0-142.8-124.7 146.5 30.9 54.3 100.9 77 77 A S - 0 0 13 12,-2.2 3,-0.1 -2,-0.3 321,-0.1 -0.624 47.1 -83.4 -85.3 169.2 33.1 51.3 101.6 78 78 A C - 0 0 8 -2,-0.2 11,-0.3 1,-0.1 2,-0.2 -0.360 50.6-104.3 -56.9 146.5 33.0 49.6 105.0 79 79 A H - 0 0 2 9,-0.1 2,-0.3 298,-0.1 9,-0.2 -0.514 41.4-169.5 -63.0 145.3 35.1 51.3 107.6 80 80 A F E -C 87 0B 18 7,-2.5 7,-2.5 -2,-0.2 2,-0.4 -0.991 15.0-133.9-141.5 142.0 38.2 49.4 108.4 81 81 A K E +C 86 0B 76 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.762 20.3 178.3 -97.2 136.4 40.7 49.8 111.2 82 82 A K E > -C 85 0B 44 3,-2.7 3,-1.8 -2,-0.4 2,-0.1 -0.973 65.8 -42.3-134.2 117.1 44.5 49.9 110.6 83 83 A G T 3 S- 0 0 38 -2,-0.4 53,-0.2 51,-0.4 52,-0.0 -0.432 124.4 -21.4 61.2-129.7 46.6 50.5 113.7 84 84 A K T 3 S+ 0 0 119 51,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.313 124.8 74.1 -95.0 11.3 45.1 53.2 115.7 85 85 A R E < -C 82 0B 14 -3,-1.8 -3,-2.7 51,-0.0 2,-0.4 -0.846 67.5-133.0-127.2 156.6 43.0 54.8 112.9 86 86 A Y E -CD 81 103B 23 17,-2.9 17,-2.9 -2,-0.3 2,-0.3 -0.853 22.9-171.0-104.3 148.2 39.8 54.0 110.9 87 87 A F E +CD 80 102B 0 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.3 -0.926 9.0 167.2-131.7 152.0 39.7 54.4 107.1 88 88 A Y E - 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