==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-SEP-08 3EQ9 . COMPND 2 MOLECULE: PROLYL ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR K.KANAI,P.ARANYI,Z.BOCSKEI,G.FERENCZY,V.HARMAT,K.SIMON,G.NAR . 709 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 67.3 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 . 161 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 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 0.8 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 . 75 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 0 0 2 0 2 1 0 0 1 0 1 1 0 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 . 2 3 4 4 3 8 2 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 3 2 0 0 2 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 3 A S 0 0 151 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -7.8 -12.6 58.0 1.7 2 4 A F - 0 0 69 49,-0.0 2,-0.3 0, 0.0 45,-0.0 -0.989 360.0-152.1-139.7 147.0 -9.1 56.8 2.6 3 5 A Q - 0 0 117 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.904 22.0-115.5-120.6 149.0 -6.5 54.7 0.9 4 6 A Y - 0 0 32 -2,-0.3 3,-0.0 1,-0.1 40,-0.0 -0.516 36.8 -99.0 -83.5 149.2 -3.7 52.5 2.4 5 7 A P - 0 0 36 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.243 35.2-108.2 -64.1 150.7 -0.0 53.2 1.9 6 8 A D - 0 0 168 1,-0.0 2,-0.5 650,-0.0 650,-0.0 -0.708 38.5-165.8 -80.9 126.6 2.0 51.3 -0.7 7 9 A V - 0 0 28 -2,-0.5 -3,-0.0 645,-0.1 -1,-0.0 -0.957 20.8-119.4-123.7 115.7 4.3 49.0 1.2 8 10 A Y - 0 0 168 -2,-0.5 2,-0.6 1,-0.1 -2,-0.0 -0.176 22.6-145.8 -51.3 134.8 7.2 47.3 -0.5 9 11 A R - 0 0 54 17,-0.1 2,-1.6 18,-0.0 17,-0.2 -0.932 2.1-149.3-108.8 116.9 7.0 43.5 -0.5 10 12 A D > - 0 0 44 15,-2.8 3,-2.0 -2,-0.6 14,-0.2 -0.660 17.3-178.3 -85.9 86.1 10.4 41.7 -0.2 11 13 A E T 3 S+ 0 0 109 -2,-1.6 -1,-0.2 1,-0.3 15,-0.0 0.413 75.4 64.7 -67.6 4.5 9.4 38.6 -2.2 12 14 A T T 3 + 0 0 111 1,-0.1 2,-1.8 13,-0.1 -1,-0.3 0.372 69.1 102.2-106.9 1.9 12.8 37.2 -1.6 13 15 A A < + 0 0 23 -3,-2.0 11,-2.9 2,-0.0 2,-0.5 -0.514 49.3 149.6 -86.9 69.5 12.5 37.0 2.2 14 16 A I E -A 23 0A 95 -2,-1.8 2,-0.3 9,-0.2 9,-0.2 -0.893 23.1-173.2-105.8 130.2 11.8 33.2 2.2 15 17 A Q E -A 22 0A 90 7,-2.3 7,-2.4 -2,-0.5 2,-0.6 -0.926 21.1-127.4-124.8 149.2 12.9 31.1 5.2 16 18 A D E -A 21 0A 81 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.859 19.9-175.1-100.5 122.2 12.9 27.3 5.7 17 19 A Y E > S-A 20 0A 14 3,-3.7 3,-1.2 -2,-0.6 584,-0.0 -0.827 76.0 -40.0-116.3 89.4 11.2 26.0 8.8 18 20 A H T 3 S- 0 0 72 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.892 124.7 -38.8 61.1 43.0 11.8 22.3 9.0 19 21 A G T 3 S+ 0 0 49 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.218 119.6 110.4 93.8 -16.9 11.3 21.7 5.3 20 22 A H E < -A 17 0A 87 -3,-1.2 -3,-3.7 2,-0.0 2,-0.5 -0.745 59.6-143.5 -94.3 141.4 8.5 24.3 5.1 21 23 A K E -A 16 0A 136 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.913 18.6-177.8-110.1 120.8 9.0 27.6 3.3 22 24 A V E -A 15 0A 19 -7,-2.4 -7,-2.3 -2,-0.5 2,-0.5 -0.951 17.4-140.2-121.2 137.9 7.4 30.8 4.6 23 25 A C E -A 14 0A 57 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.829 13.9-176.0 -99.9 127.5 7.6 34.2 3.1 24 26 A D > + 0 0 13 -11,-2.9 3,-1.7 -2,-0.5 4,-0.2 -0.701 10.0 171.5-120.1 76.3 8.0 37.3 5.3 25 27 A P T 3 S+ 0 0 12 0, 0.0 -15,-2.8 0, 0.0 3,-0.2 0.533 78.5 45.7 -63.6 -11.1 7.8 40.2 2.7 26 28 A Y T > S+ 0 0 3 -17,-0.2 3,-2.6 1,-0.1 626,-0.1 0.070 71.6 119.3-119.8 21.4 7.6 42.9 5.4 27 29 A A G X + 0 0 22 -3,-1.7 3,-1.8 1,-0.3 -1,-0.1 0.754 63.8 73.9 -57.4 -22.4 10.5 41.5 7.5 28 30 A W G > S+ 0 0 58 1,-0.3 3,-1.3 -3,-0.2 -1,-0.3 0.699 78.7 73.4 -66.1 -17.0 12.2 44.8 6.8 29 31 A L G < S+ 0 0 2 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.390 75.7 83.5 -76.5 4.3 9.8 46.4 9.2 30 32 A E G < S+ 0 0 39 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.477 72.1 81.0 -85.7 -4.0 11.9 44.6 11.9 31 33 A D X - 0 0 78 -3,-1.3 3,-0.7 1,-0.2 6,-0.3 -0.883 60.1-172.1-105.5 103.9 14.4 47.5 11.9 32 34 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 167,-0.1 0.825 82.8 53.3 -63.3 -30.6 13.0 50.2 14.0 33 35 A D T 3 S+ 0 0 76 -3,-0.1 166,-0.0 4,-0.1 -2,-0.0 0.628 82.0 107.7 -82.3 -17.1 15.8 52.6 13.0 34 36 A S S <> S- 0 0 18 -3,-0.7 4,-1.8 -6,-0.2 5,-0.1 -0.200 73.4-127.0 -64.0 156.3 15.5 52.4 9.2 35 37 A E H > S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.788 110.5 58.0 -71.1 -28.3 14.1 55.3 7.2 36 38 A Q H > S+ 0 0 115 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.909 106.4 46.1 -68.6 -44.3 11.7 52.8 5.6 37 39 A T H > S+ 0 0 6 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.928 113.7 49.5 -64.7 -44.6 10.2 51.8 8.9 38 40 A K H X S+ 0 0 104 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.897 110.9 49.2 -60.5 -42.2 9.9 55.4 10.0 39 41 A A H X S+ 0 0 55 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.825 111.6 50.4 -67.7 -31.6 8.2 56.4 6.8 40 42 A F H X S+ 0 0 10 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.908 111.6 46.3 -71.7 -46.2 5.8 53.5 7.1 41 43 A V H X S+ 0 0 32 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.949 113.2 49.5 -62.8 -47.6 4.8 54.4 10.7 42 44 A E H X S+ 0 0 141 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.894 112.1 49.7 -58.8 -39.3 4.4 58.1 9.8 43 45 A A H X S+ 0 0 22 -4,-1.6 4,-0.6 2,-0.2 3,-0.4 0.935 109.2 49.3 -66.6 -48.1 2.2 57.1 6.9 44 46 A Q H >X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.3 3,-1.5 0.915 111.0 49.0 -59.7 -44.3 -0.1 54.8 8.8 45 47 A N H 3X S+ 0 0 29 -4,-2.2 4,-1.5 1,-0.3 -1,-0.3 0.765 100.0 68.6 -66.6 -23.1 -0.7 57.3 11.6 46 48 A K H 3< S+ 0 0 151 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.714 109.9 34.1 -68.2 -19.1 -1.4 59.8 8.8 47 49 A I H X S+ 0 0 45 -4,-1.5 4,-2.1 1,-0.2 3,-0.9 0.920 110.5 46.2 -43.5 -63.5 -5.5 59.8 13.6 50 52 A P H 3> S+ 0 0 54 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.903 111.0 53.5 -46.4 -51.5 -7.9 61.8 11.3 51 53 A F H 3< S+ 0 0 20 -4,-1.0 -2,-0.2 1,-0.2 4,-0.2 0.830 111.2 46.8 -54.5 -36.8 -10.3 58.9 11.0 52 54 A L H X< S+ 0 0 4 -4,-1.9 3,-0.7 -3,-0.9 -1,-0.2 0.848 113.8 44.6 -77.5 -36.3 -10.5 58.7 14.8 53 55 A E H 3< S+ 0 0 125 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.688 98.6 73.1 -80.9 -19.5 -11.0 62.4 15.5 54 56 A Q T 3< S+ 0 0 118 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.607 78.4 93.6 -69.0 -11.9 -13.5 62.7 12.7 55 57 A C X - 0 0 7 -3,-0.7 3,-1.7 -4,-0.2 4,-0.5 -0.759 69.0-152.6 -87.5 117.5 -15.9 60.8 15.0 56 58 A P T 3> S+ 0 0 111 0, 0.0 4,-0.9 0, 0.0 3,-0.2 0.645 94.1 65.2 -61.9 -14.5 -18.1 63.3 17.0 57 59 A I H 3> S+ 0 0 12 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.759 84.8 73.5 -79.6 -24.9 -18.3 60.7 19.8 58 60 A R H <> S+ 0 0 26 -3,-1.7 4,-2.4 -6,-0.2 -1,-0.2 0.869 102.8 38.2 -55.7 -43.4 -14.5 60.9 20.5 59 61 A G H > S+ 0 0 41 -4,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.831 114.0 54.3 -79.5 -34.4 -14.8 64.2 22.2 60 62 A L H X S+ 0 0 68 -4,-0.9 4,-2.6 2,-0.2 3,-0.4 0.979 113.6 44.7 -60.8 -50.8 -18.1 63.4 23.9 61 63 A Y H X S+ 0 0 0 -4,-3.3 4,-4.0 1,-0.2 5,-0.3 0.950 110.6 51.2 -55.4 -57.8 -16.3 60.3 25.3 62 64 A K H X S+ 0 0 80 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.788 112.8 48.9 -52.7 -30.6 -13.1 62.1 26.3 63 65 A E H X S+ 0 0 119 -4,-1.7 4,-1.9 -3,-0.4 -1,-0.2 0.968 114.3 42.6 -71.8 -58.8 -15.3 64.6 28.2 64 66 A R H X S+ 0 0 44 -4,-2.6 4,-2.9 1,-0.2 3,-0.4 0.937 115.1 51.9 -51.1 -52.4 -17.4 62.1 30.0 65 67 A M H X S+ 0 0 3 -4,-4.0 4,-3.0 1,-0.2 -1,-0.2 0.919 107.1 53.1 -52.9 -48.2 -14.3 60.0 30.6 66 68 A T H < S+ 0 0 50 -4,-1.8 -1,-0.2 -5,-0.3 4,-0.2 0.836 114.7 40.8 -58.9 -36.7 -12.5 63.1 32.1 67 69 A E H >< S+ 0 0 98 -4,-1.9 3,-1.1 -3,-0.4 -2,-0.2 0.953 119.5 42.2 -77.0 -53.5 -15.3 63.8 34.5 68 70 A L H 3< S+ 0 0 3 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.862 113.0 53.4 -62.0 -37.3 -16.1 60.2 35.6 69 71 A Y T 3< S+ 0 0 48 -4,-3.0 2,-1.7 -5,-0.3 -1,-0.3 0.578 84.4 98.0 -75.4 -8.4 -12.4 59.2 35.8 70 72 A D < + 0 0 77 -3,-1.1 -1,-0.2 -4,-0.2 22,-0.2 -0.515 55.7 116.0 -83.9 74.8 -11.8 62.2 38.2 71 73 A Y S S- 0 0 25 -2,-1.7 2,-0.3 20,-0.4 354,-0.1 -0.932 73.6 -84.1-136.1 161.0 -12.0 60.5 41.6 72 74 A P - 0 0 42 0, 0.0 2,-0.7 0, 0.0 18,-0.2 -0.488 38.3-160.7 -69.2 123.9 -9.5 59.8 44.5 73 75 A K E +B 89 0B 39 16,-2.2 16,-1.8 -2,-0.3 2,-0.3 -0.887 16.0 179.1-112.0 104.1 -7.4 56.8 43.9 74 76 A Y E -B 88 0B 47 -2,-0.7 2,-0.2 14,-0.2 14,-0.2 -0.700 16.0-150.4-104.6 156.9 -5.9 55.4 47.1 75 77 A S - 0 0 15 12,-1.6 307,-0.1 -2,-0.3 319,-0.1 -0.673 40.7 -77.2-114.9 170.0 -3.6 52.5 47.8 76 78 A C - 0 0 9 -2,-0.2 11,-0.3 1,-0.1 2,-0.2 -0.370 48.5-114.7 -66.9 149.3 -3.4 50.4 51.0 77 79 A H - 0 0 11 9,-0.1 2,-0.3 307,-0.1 9,-0.2 -0.546 36.9-171.5 -80.1 151.0 -1.5 52.0 53.8 78 80 A F E -C 85 0B 22 7,-2.0 7,-2.1 -2,-0.2 2,-0.5 -0.971 16.7-133.6-150.4 134.4 1.7 50.1 54.8 79 81 A K E +C 84 0B 68 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.777 19.8 177.6 -95.7 125.0 4.1 50.5 57.6 80 82 A K E > S-C 83 0B 55 3,-1.6 3,-1.8 -2,-0.5 2,-0.3 -0.989 70.1 -38.5-121.2 118.0 7.9 50.6 57.2 81 83 A G T 3 S- 0 0 39 -2,-0.5 53,-0.2 51,-0.4 54,-0.1 -0.496 123.5 -27.9 66.7-126.2 9.8 51.1 60.4 82 84 A K T 3 S+ 0 0 135 51,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.124 122.4 79.6-110.3 18.8 7.9 53.7 62.4 83 85 A R E < -C 80 0B 8 -3,-1.8 -3,-1.6 20,-0.0 2,-0.4 -0.823 67.7-132.3-123.8 163.7 6.2 55.5 59.6 84 86 A Y E -CD 79 101B 26 17,-2.6 17,-2.3 -2,-0.3 2,-0.3 -0.918 21.1-172.8-116.8 143.4 3.2 54.9 57.3 85 87 A F E +CD 78 100B 0 -7,-2.1 -7,-2.0 -2,-0.4 2,-0.3 -0.929 9.9 162.8-133.0 156.9 3.1 55.2 53.5 86 88 A Y E - 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