==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-OCT-04 1XQV . COMPND 2 MOLECULE: PROLINE IMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR P.GOETTIG,H.BRANDSTETTER,M.GROLL,W.GOEHRING,P.V.KONAREV, . 290 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 . 2 0 0 0 1 0 1 0 0 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 . 0 0 0 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 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 4 A E 0 0 127 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 134.2 -1.8 -5.4 25.5 2 5 A a - 0 0 27 1,-0.1 2,-0.5 17,-0.1 17,-0.2 -0.222 360.0 -79.8 -91.3-176.1 1.2 -7.5 24.4 3 6 A I E -A 18 0A 91 15,-1.6 15,-2.3 -2,-0.1 2,-0.3 -0.768 46.6-171.2 -91.5 129.3 4.1 -8.8 26.5 4 7 A E E +A 17 0A 110 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.886 11.3 160.0-118.6 149.9 6.8 -6.4 27.3 5 8 A N E -A 16 0A 74 11,-1.6 11,-1.6 -2,-0.3 2,-0.4 -0.961 38.2-127.2-159.6 174.6 10.2 -7.1 28.9 6 9 A Y E +A 15 0A 115 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.834 38.1 175.5-134.5 89.5 13.8 -5.9 29.5 7 10 A A E -A 14 0A 7 7,-1.8 7,-3.6 -2,-0.4 2,-0.9 -0.689 35.1-116.9-103.3 152.6 16.3 -8.6 28.5 8 11 A K E +A 13 0A 128 -2,-0.3 2,-0.5 5,-0.3 5,-0.3 -0.764 39.2 176.6 -88.1 106.4 20.1 -8.6 28.3 9 12 A V E > -A 12 0A 3 3,-2.3 3,-1.2 -2,-0.9 77,-0.1 -0.949 65.0 -19.9-117.8 120.2 21.1 -9.1 24.7 10 13 A N T 3 S- 0 0 79 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.797 129.9 -45.0 56.5 32.6 24.7 -9.0 23.6 11 14 A G T 3 S+ 0 0 51 1,-0.2 2,-0.3 58,-0.0 -1,-0.3 -0.203 124.7 71.3 109.2 -43.5 25.9 -7.2 26.7 12 15 A I E < S-A 9 0A 15 -3,-1.2 -3,-2.3 55,-0.1 2,-0.4 -0.753 84.4-102.6-109.8 159.3 23.3 -4.4 27.1 13 16 A Y E -A 8 0A 103 -2,-0.3 54,-2.0 -5,-0.3 2,-0.4 -0.651 37.5-166.9 -83.4 128.0 19.6 -4.5 28.2 14 17 A I E -A 7 0A 0 -7,-3.6 -7,-1.8 -2,-0.4 2,-0.3 -0.908 14.2-135.1-117.7 142.6 17.1 -4.2 25.4 15 18 A Y E +AB 6 59A 18 44,-0.5 44,-2.0 -2,-0.4 2,-0.3 -0.741 29.6 171.0 -93.8 142.1 13.4 -3.5 25.5 16 19 A Y E -AB 5 58A 14 -11,-1.6 -11,-1.6 -2,-0.3 2,-0.5 -0.996 24.9-152.2-151.2 152.2 11.0 -5.5 23.3 17 20 A K E -AB 4 57A 28 40,-3.3 40,-2.9 -2,-0.3 2,-0.8 -0.955 11.1-162.4-129.9 111.6 7.2 -6.1 22.9 18 21 A L E -AB 3 56A 12 -15,-2.3 -15,-1.6 -2,-0.5 2,-1.2 -0.831 0.9-166.5 -99.6 105.4 6.1 -9.4 21.5 19 22 A a E - B 0 55A 4 36,-2.7 36,-1.9 -2,-0.8 -17,-0.1 -0.687 14.8-163.5 -91.9 86.3 2.5 -9.3 20.2 20 23 A K - 0 0 134 -2,-1.2 33,-0.1 34,-0.2 29,-0.1 -0.310 9.4-134.9 -70.6 150.5 1.5 -12.9 19.8 21 24 A A - 0 0 7 31,-0.1 3,-0.2 1,-0.1 33,-0.1 -0.781 24.9-110.3-104.3 151.3 -1.4 -14.0 17.7 22 25 A P S S+ 0 0 140 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.885 116.1 28.8 -43.6 -47.3 -4.1 -16.6 18.8 23 26 A E S S- 0 0 115 26,-0.3 2,-1.6 -3,-0.0 3,-0.2 -0.947 83.4-146.8-121.8 108.7 -2.7 -18.9 16.1 24 27 A E + 0 0 81 -2,-0.5 29,-0.2 -3,-0.2 3,-0.1 -0.563 33.2 158.4 -76.2 83.6 1.0 -18.3 15.4 25 28 A K S S- 0 0 93 27,-2.3 2,-0.3 -2,-1.6 -1,-0.2 0.709 72.4 -6.5 -77.1 -21.0 1.2 -19.1 11.6 26 29 A A E -c 53 0A 4 26,-1.2 28,-2.5 -3,-0.2 2,-0.4 -0.988 63.9-124.0-167.7 161.7 4.4 -17.0 11.4 27 30 A K E -c 54 0A 13 68,-0.3 70,-2.7 -2,-0.3 2,-0.4 -0.933 20.2-165.7-117.1 138.8 6.7 -14.7 13.3 28 31 A L E -cd 55 97A 1 26,-1.9 28,-3.2 -2,-0.4 2,-0.4 -0.984 3.6-160.0-128.9 124.2 7.7 -11.2 12.1 29 32 A M E -cd 56 98A 4 68,-2.9 70,-3.3 -2,-0.4 2,-0.3 -0.853 12.8-154.9-102.7 137.6 10.6 -9.2 13.5 30 33 A T E - d 0 99A 2 26,-1.7 2,-0.4 -2,-0.4 28,-0.2 -0.883 9.4-164.0-117.3 143.6 10.6 -5.4 13.0 31 34 A M E - d 0 100A 0 68,-1.3 70,-2.2 -2,-0.3 73,-0.2 -0.955 12.3-151.7-129.0 113.4 13.5 -2.9 12.8 32 35 A H - 0 0 1 -2,-0.4 2,-0.3 26,-0.4 7,-0.1 -0.151 14.9-165.3 -73.6 174.0 12.8 0.9 13.2 33 36 A G > - 0 0 3 3,-0.3 3,-1.4 5,-0.3 5,-0.1 -0.988 25.6 -34.3-162.4 153.0 15.0 3.5 11.6 34 37 A A T 3 S+ 0 0 1 1,-0.4 69,-0.5 -2,-0.3 70,-0.1 -0.050 115.8 29.1 -46.0 148.1 15.7 7.2 11.7 35 38 A P T 3 S+ 0 0 7 0, 0.0 2,-1.0 0, 0.0 -1,-0.4 -0.994 119.2 65.3 -74.3 -9.2 14.1 9.7 12.2 36 39 A G < - 0 0 6 -3,-1.4 2,-0.9 1,-0.1 -3,-0.3 -0.614 64.5-171.2 -77.4 103.0 12.0 7.3 14.3 37 40 A M + 0 0 8 155,-1.8 27,-1.5 -2,-1.0 2,-0.3 -0.290 63.3 36.3 -89.9 50.4 14.3 6.3 17.2 38 41 A S S S- 0 0 0 -2,-0.9 3,-0.4 25,-0.2 -5,-0.3 -0.956 86.5-101.8 179.6 169.2 11.9 3.6 18.6 39 42 A H S > S+ 0 0 0 -2,-0.3 3,-3.0 1,-0.2 4,-0.3 0.674 94.0 96.6 -79.6 -18.4 9.4 0.8 17.6 40 43 A D G > S+ 0 0 10 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.832 77.7 53.7 -38.9 -51.9 6.5 3.1 18.5 41 44 A Y G 3 S+ 0 0 4 -3,-0.4 -1,-0.3 147,-0.3 3,-0.1 0.440 105.6 57.0 -70.8 5.4 5.8 4.4 14.9 42 45 A L G X S+ 0 0 0 -3,-3.0 3,-1.9 1,-0.1 -1,-0.3 0.381 72.4 100.5-113.3 1.9 5.6 0.8 13.8 43 46 A L G X + 0 0 32 -3,-1.8 3,-2.1 -4,-0.3 4,-0.2 0.685 63.6 79.2 -61.2 -20.1 2.8 -0.3 16.1 44 47 A S G > S+ 0 0 0 1,-0.3 3,-1.0 -4,-0.2 -1,-0.3 0.715 81.7 67.3 -60.5 -21.2 0.3 0.1 13.3 45 48 A L G X S+ 0 0 0 -3,-1.9 3,-1.2 1,-0.2 -1,-0.3 0.426 73.3 91.7 -77.9 1.1 1.5 -3.4 12.0 46 49 A R G X + 0 0 101 -3,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.769 68.5 75.5 -66.8 -23.2 -0.0 -4.9 15.1 47 50 A D G X S+ 0 0 55 -3,-1.0 3,-2.3 1,-0.3 -1,-0.3 0.815 78.2 73.2 -57.2 -31.7 -3.2 -5.4 13.1 48 51 A M G X >S+ 0 0 1 -3,-1.2 3,-2.6 1,-0.3 5,-1.4 0.689 74.4 80.9 -60.2 -16.8 -1.5 -8.3 11.3 49 52 A T G X 5S+ 0 0 27 -3,-1.9 3,-0.9 1,-0.3 -26,-0.3 0.694 83.0 65.0 -62.8 -15.4 -1.9 -10.4 14.5 50 53 A K G < 5S+ 0 0 174 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.527 96.7 55.3 -83.1 -6.7 -5.4 -10.9 13.2 51 54 A E G < 5S- 0 0 97 -3,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.158 128.8 -94.1-108.6 13.6 -4.0 -12.9 10.2 52 55 A G T < 5S+ 0 0 5 -3,-0.9 -27,-2.3 1,-0.2 -26,-1.2 0.683 85.6 134.7 81.5 18.3 -2.1 -15.3 12.4 53 56 A I E < - c 0 26A 0 -5,-1.4 2,-0.2 -28,-0.2 -1,-0.2 -0.892 45.9-149.6-107.2 110.7 1.0 -13.2 12.2 54 57 A T E - c 0 27A 1 -28,-2.5 -26,-1.9 -2,-0.7 2,-0.5 -0.548 15.0-152.4 -74.3 137.3 2.9 -12.7 15.5 55 58 A V E -Bc 19 28A 0 -36,-1.9 -36,-2.7 -2,-0.2 2,-0.6 -0.958 6.0-157.9-121.8 127.2 4.8 -9.3 15.5 56 59 A L E -Bc 18 29A 0 -28,-3.2 -26,-1.7 -2,-0.5 2,-0.3 -0.895 12.1-176.4-105.1 121.9 7.9 -8.6 17.5 57 60 A F E +B 17 0A 0 -40,-2.9 -40,-3.3 -2,-0.6 2,-0.3 -0.830 9.6 160.2-111.9 149.8 8.8 -5.0 18.3 58 61 A Y E -B 16 0A 1 -2,-0.3 2,-0.6 -42,-0.3 -26,-0.4 -0.973 39.3-115.2-165.3 155.4 11.9 -3.7 20.1 59 62 A D E -B 15 0A 0 -44,-2.0 -44,-0.5 -2,-0.3 4,-0.1 -0.862 36.1-133.1 -97.3 115.3 14.0 -0.6 20.7 60 63 A Q > - 0 0 23 -2,-0.6 3,-2.0 1,-0.1 6,-0.3 -0.136 48.1 -57.7 -62.2 164.1 17.5 -1.0 19.2 61 64 A F T 3 S+ 0 0 9 1,-0.3 7,-0.2 4,-0.1 -1,-0.1 -0.013 124.6 8.1 -44.9 140.5 20.6 -0.0 21.3 62 65 A G T 3 S+ 0 0 0 5,-1.9 139,-0.5 1,-0.2 138,-0.5 0.560 112.6 105.7 62.6 8.6 20.7 3.6 22.6 63 66 A C S X S- 0 0 2 -3,-2.0 3,-1.9 4,-0.3 -1,-0.2 -0.826 80.9 -28.6-119.1 159.0 17.2 4.0 21.3 64 67 A G T 3 S- 0 0 5 -27,-1.5 -26,-0.1 -2,-0.3 -27,-0.0 -0.113 125.9 -14.7 43.8-120.2 13.8 4.3 22.9 65 68 A R T 3 S+ 0 0 80 -50,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.538 111.2 102.4 -90.8 -10.1 13.7 2.4 26.2 66 69 A S S < S- 0 0 1 -3,-1.9 -52,-0.2 -6,-0.3 -6,-0.1 -0.436 76.7-106.2 -79.1 148.1 16.9 0.3 25.7 67 70 A E - 0 0 73 -54,-2.0 -5,-1.9 -2,-0.1 -4,-0.3 -0.293 32.9-112.5 -71.9 156.8 20.1 1.2 27.4 68 71 A E - 0 0 64 -7,-0.2 3,-0.1 -6,-0.2 -1,-0.1 -0.796 27.8-157.6 -95.9 125.8 23.0 2.8 25.4 69 72 A P - 0 0 16 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.106 45.2 -53.6 -79.4-161.1 26.2 0.8 24.9 70 73 A D > - 0 0 95 1,-0.1 3,-2.0 3,-0.0 0, 0.0 -0.485 47.9-119.1 -78.0 151.3 29.6 2.2 24.1 71 74 A Q G > S+ 0 0 123 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.763 110.9 68.1 -60.3 -26.7 30.0 4.7 21.2 72 75 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.0 -2,-0.0 0.536 96.6 57.2 -71.1 -4.3 32.4 2.3 19.5 73 76 A K G < + 0 0 91 -3,-2.0 2,-1.3 1,-0.1 -1,-0.3 0.142 69.6 110.5-111.9 17.3 29.5 -0.0 19.0 74 77 A F < + 0 0 4 -3,-1.6 2,-0.3 4,-0.1 -1,-0.1 -0.394 55.0 116.5 -88.6 56.9 27.2 2.4 17.1 75 78 A T S > S- 0 0 66 -2,-1.3 4,-1.8 1,-0.1 5,-0.1 -0.868 75.4-121.9-125.3 159.2 27.6 0.4 13.9 76 79 A I H > S+ 0 0 27 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.913 114.2 57.3 -62.6 -42.9 25.2 -1.5 11.5 77 80 A D H > S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.866 106.3 49.8 -57.4 -35.3 27.4 -4.6 12.0 78 81 A Y H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 107.1 54.2 -69.7 -40.5 26.8 -4.3 15.8 79 82 A G H X S+ 0 0 2 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.800 104.6 56.4 -63.1 -29.6 23.0 -4.0 15.2 80 83 A V H X S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.929 106.7 46.4 -68.3 -45.2 23.1 -7.2 13.2 81 84 A E H X S+ 0 0 61 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.825 111.1 54.4 -67.4 -31.9 24.6 -9.3 16.0 82 85 A E H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.898 108.1 48.5 -66.5 -43.8 22.1 -7.7 18.4 83 86 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.938 111.1 49.7 -63.9 -44.8 19.2 -8.8 16.3 84 87 A E H X S+ 0 0 23 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.866 110.1 50.6 -63.2 -37.6 20.4 -12.3 15.9 85 88 A A H X S+ 0 0 31 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.885 113.3 46.3 -67.4 -37.9 20.9 -12.7 19.6 86 89 A L H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 5,-0.2 0.917 112.1 49.6 -71.3 -42.4 17.4 -11.4 20.3 87 90 A R H X S+ 0 0 2 -4,-2.8 4,-3.2 1,-0.2 5,-0.5 0.941 114.0 45.7 -60.1 -48.6 15.8 -13.6 17.6 88 91 A S H X S+ 0 0 54 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.905 110.9 52.8 -61.7 -43.0 17.6 -16.7 19.0 89 92 A K H < S+ 0 0 120 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.835 121.3 31.6 -63.3 -33.2 16.7 -15.9 22.6 90 93 A L H < S+ 0 0 46 -4,-1.8 -2,-0.2 -3,-0.1 -1,-0.2 0.776 136.2 19.4 -97.1 -30.4 13.0 -15.6 21.8 91 94 A F H >< S- 0 0 21 -4,-3.2 3,-1.8 1,-0.2 -3,-0.2 0.431 82.1-157.3-122.2 -0.9 12.5 -18.0 18.9 92 95 A G T 3< S- 0 0 31 -4,-1.9 -1,-0.2 -5,-0.5 -2,-0.1 -0.376 73.0 -13.6 62.0-126.5 15.4 -20.4 19.1 93 96 A N T 3 S+ 0 0 154 -2,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.234 101.4 126.1 -94.8 15.0 16.1 -22.2 15.7 94 97 A E < - 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