==== 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 15-OCT-04 1XRO . COMPND 2 MOLECULE: PROLINE IMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR P.GOETTIG,H.BRANDSTETTER,M.GROLL,W.GOEHRING,P.V.KONAREV, . 291 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 75.9 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 . 15 5.2 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 . 1 0.3 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 0 1 4 1 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 . 1 0 0 1 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 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 0 218 0, 0.0 19,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-171.0 -0.9 -10.4 24.0 2 5 A a - 0 0 17 17,-0.1 2,-0.4 1,-0.1 17,-0.2 -0.373 360.0-109.5 -82.9 163.8 2.8 -10.7 23.1 3 6 A I E -A 18 0A 85 15,-2.2 15,-2.2 -2,-0.1 2,-0.4 -0.779 31.7-163.4 -95.6 137.2 5.6 -11.8 25.3 4 7 A E E +A 17 0A 106 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.954 23.8 132.4-121.2 139.5 8.1 -9.1 26.4 5 8 A N E -A 16 0A 94 11,-1.8 11,-2.2 -2,-0.4 2,-0.4 -0.972 49.3 -90.5-168.0 178.0 11.5 -9.7 27.9 6 9 A Y E -A 15 0A 108 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.878 28.1-160.7-107.8 135.7 15.2 -8.8 27.9 7 10 A A E -A 14 0A 0 7,-2.7 7,-2.5 -2,-0.4 2,-1.2 -0.971 19.4-131.7-117.9 127.0 17.8 -10.6 25.8 8 11 A K E +A 13 0A 119 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 -0.638 37.5 172.7 -77.3 97.2 21.5 -10.5 26.6 9 12 A V E > -A 12 0A 4 3,-2.4 3,-2.1 -2,-1.2 73,-0.1 -0.935 65.7 -21.4-114.0 121.6 23.0 -9.6 23.2 10 13 A N T 3 S- 0 0 83 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.778 127.6 -52.1 54.9 27.9 26.7 -8.8 22.9 11 14 A G T 3 S+ 0 0 43 1,-0.3 2,-0.3 58,-0.0 -1,-0.3 0.276 119.5 95.6 95.4 -11.0 26.8 -7.9 26.6 12 15 A I E < S-A 9 0A 19 -3,-2.1 -3,-2.4 55,-0.1 2,-0.7 -0.817 78.0-108.0-116.4 156.9 23.9 -5.5 26.7 13 16 A Y E -A 8 0A 109 -2,-0.3 54,-2.8 -5,-0.2 2,-0.5 -0.723 34.4-170.5 -84.7 116.3 20.2 -5.9 27.5 14 17 A I E -A 7 0A 0 -7,-2.5 -7,-2.7 -2,-0.7 2,-0.3 -0.923 15.9-137.2-109.5 125.1 18.0 -5.6 24.4 15 18 A Y E +A 6 0A 13 -2,-0.5 44,-2.1 44,-0.3 2,-0.3 -0.600 27.7 177.1 -79.1 135.7 14.2 -5.4 24.8 16 19 A Y E -AB 5 58A 22 -11,-2.2 -11,-1.8 -2,-0.3 2,-0.4 -0.959 21.5-155.1-139.3 157.7 12.2 -7.5 22.4 17 20 A K E -AB 4 57A 22 40,-3.1 40,-3.3 -2,-0.3 2,-0.7 -0.963 11.0-165.3-134.9 111.4 8.5 -8.3 22.0 18 21 A L E -AB 3 56A 8 -15,-2.2 -15,-2.2 -2,-0.4 2,-0.9 -0.889 2.2-168.8-105.1 113.0 7.5 -11.5 20.3 19 22 A a E - B 0 55A 5 36,-2.8 36,-1.9 -2,-0.7 2,-0.1 -0.831 15.2-154.1-102.7 97.4 4.0 -11.8 19.1 20 23 A K - 0 0 118 -2,-0.9 33,-0.1 34,-0.2 34,-0.1 -0.445 8.5-132.1 -73.7 141.7 3.4 -15.4 18.2 21 24 A A > - 0 0 3 31,-0.2 3,-1.0 5,-0.2 33,-0.1 -0.766 17.7-121.8 -94.5 139.9 0.7 -16.3 15.6 22 25 A P T 3 S+ 0 0 121 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.914 107.6 24.2 -39.9 -72.9 -1.8 -19.1 16.4 23 26 A E T 3 S- 0 0 133 26,-0.2 31,-0.0 -3,-0.1 -3,-0.0 -0.580 96.1-147.6-100.2 70.1 -1.1 -21.4 13.4 24 27 A E < + 0 0 71 -2,-1.1 29,-0.2 -3,-1.0 3,-0.1 -0.056 31.8 166.2 -43.5 124.8 2.5 -20.2 12.7 25 28 A K - 0 0 111 27,-3.4 2,-0.3 1,-0.5 28,-0.2 0.570 68.7 -18.1-112.0 -25.5 3.5 -20.3 9.1 26 29 A A E -c 53 0A 8 26,-1.1 28,-2.5 264,-0.1 -1,-0.5 -0.974 62.5-110.6-172.7 165.1 6.7 -18.2 9.4 27 30 A K E -c 54 0A 32 68,-0.3 70,-2.9 -2,-0.3 2,-0.5 -0.922 21.3-161.0-113.5 136.4 8.5 -15.7 11.5 28 31 A L E -cd 55 97A 1 26,-3.5 28,-3.2 -2,-0.4 2,-0.3 -0.964 3.6-160.7-117.2 120.2 9.0 -12.1 10.6 29 32 A M E -cd 56 98A 2 68,-3.3 70,-2.7 -2,-0.5 2,-0.4 -0.770 14.1-152.1 -96.9 144.9 11.7 -10.1 12.4 30 33 A T E - d 0 99A 1 26,-1.6 2,-0.5 -2,-0.3 70,-0.2 -0.937 12.4-159.1-125.3 147.1 11.4 -6.3 12.2 31 34 A M E - d 0 100A 0 68,-2.0 70,-2.2 -2,-0.4 77,-0.1 -0.971 16.3-148.3-124.8 111.4 13.9 -3.4 12.3 32 35 A H - 0 0 2 -2,-0.5 4,-0.1 26,-0.5 7,-0.1 -0.319 18.4-128.4 -74.5 162.2 12.6 0.1 13.3 33 36 A G >> + 0 0 0 5,-0.2 4,-1.5 70,-0.2 3,-0.6 0.147 62.6 81.8 -94.7-151.2 14.1 3.2 11.9 34 37 A G T 34 S- 0 0 0 258,-2.3 2,-0.1 1,-0.3 -1,-0.1 -0.835 89.5-108.1 131.0 -93.8 15.5 6.5 13.1 35 38 A P T 34 S+ 0 0 1 0, 0.0 171,-0.4 0, 0.0 -1,-0.3 0.541 112.7 26.8 -75.9 149.0 18.1 5.5 13.8 36 39 A G T <4 S+ 0 0 0 -3,-0.6 166,-0.4 165,-0.1 28,-0.3 0.629 93.5 107.8 110.5 15.8 17.4 5.8 17.5 37 40 A M < - 0 0 9 -4,-1.5 27,-0.8 26,-0.1 2,-0.3 0.392 64.3-108.5 -92.5-128.4 13.6 5.5 17.5 38 41 A S > - 0 0 0 25,-0.2 3,-0.7 26,-0.1 -5,-0.2 -0.975 21.7-102.5-162.3 165.9 11.8 2.3 18.9 39 42 A H G > S+ 0 0 0 -2,-0.3 3,-2.5 1,-0.2 4,-0.3 0.719 97.3 93.5 -66.7 -21.8 9.8 -0.7 17.7 40 43 A D G > S+ 0 0 8 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.805 77.7 53.1 -41.4 -49.1 6.6 1.1 18.9 41 44 A Y G < S+ 0 0 1 -3,-0.7 3,-0.3 1,-0.3 -1,-0.3 0.589 103.8 58.4 -71.5 -6.7 5.7 2.7 15.6 42 45 A L G X S+ 0 0 0 -3,-2.5 3,-2.1 1,-0.2 -1,-0.3 0.388 73.5 103.6 -98.1 3.8 5.8 -0.7 13.8 43 46 A L G X + 0 0 22 -3,-1.8 3,-2.2 -4,-0.3 4,-0.2 0.718 62.8 75.4 -59.9 -20.6 3.2 -2.3 16.1 44 47 A S G > S+ 0 0 0 -3,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.791 82.1 70.3 -62.1 -25.4 0.5 -2.0 13.4 45 48 A L G X S+ 0 0 0 -3,-2.1 3,-1.5 1,-0.3 -1,-0.3 0.565 73.5 87.1 -69.3 -6.5 2.3 -4.9 11.8 46 49 A R G X + 0 0 88 -3,-2.2 3,-2.6 1,-0.3 4,-0.3 0.791 68.8 78.6 -61.0 -28.9 1.0 -7.1 14.6 47 50 A D G X S+ 0 0 49 -3,-1.4 3,-1.5 1,-0.3 -1,-0.3 0.754 78.9 71.4 -51.7 -26.3 -2.2 -7.6 12.6 48 51 A M G X >S+ 0 0 0 -3,-1.5 5,-1.9 1,-0.3 3,-1.8 0.640 75.2 79.0 -68.3 -14.1 -0.3 -10.2 10.5 49 52 A T G X 5S+ 0 0 26 -3,-2.6 3,-1.3 1,-0.3 -1,-0.3 0.805 87.7 60.2 -63.3 -25.1 -0.3 -12.6 13.4 50 53 A K G < 5S+ 0 0 161 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.620 98.6 57.9 -75.0 -13.6 -3.9 -13.3 12.2 51 54 A E G < 5S- 0 0 98 -3,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.210 128.6 -97.6 -99.6 12.3 -2.4 -14.4 8.9 52 55 A G T < 5S+ 0 0 10 -3,-1.3 -27,-3.4 1,-0.2 -26,-1.1 0.636 85.7 131.0 81.1 15.3 -0.3 -17.1 10.6 53 56 A I E < - c 0 26A 0 -5,-1.9 2,-0.4 -29,-0.2 -1,-0.2 -0.898 49.4-147.5-107.7 117.6 2.8 -14.8 10.7 54 57 A T E - c 0 27A 1 -28,-2.5 -26,-3.5 -2,-0.6 2,-0.5 -0.694 16.8-154.1 -82.0 129.3 4.6 -14.5 13.9 55 58 A V E -Bc 19 28A 0 -36,-1.9 -36,-2.8 -2,-0.4 2,-0.5 -0.905 6.5-159.3-111.4 130.1 6.1 -11.0 14.3 56 59 A L E -Bc 18 29A 1 -28,-3.2 -26,-1.6 -2,-0.5 2,-0.3 -0.930 11.2-174.4-109.1 125.7 9.2 -10.2 16.4 57 60 A F E +B 17 0A 0 -40,-3.3 -40,-3.1 -2,-0.5 2,-0.3 -0.827 7.8 169.1-112.7 151.3 9.7 -6.6 17.5 58 61 A Y E -B 16 0A 1 -2,-0.3 2,-0.6 -42,-0.3 -26,-0.5 -0.969 36.2-120.1-163.1 149.5 12.7 -5.2 19.4 59 62 A D - 0 0 0 -44,-2.1 -44,-0.3 -2,-0.3 3,-0.1 -0.839 39.1-132.2 -91.2 120.5 14.4 -1.9 20.4 60 63 A Q > - 0 0 4 -2,-0.6 3,-2.3 1,-0.2 6,-0.3 -0.088 47.7 -54.0 -66.7 171.9 17.8 -1.7 18.8 61 64 A F T 3 S+ 0 0 3 1,-0.3 7,-0.2 12,-0.1 -1,-0.2 -0.130 127.7 5.6 -50.5 141.2 20.9 -0.8 20.9 62 65 A G T 3 S+ 0 0 0 5,-2.8 139,-0.6 1,-0.2 138,-0.4 0.545 109.1 116.3 61.1 10.6 20.5 2.5 22.7 63 66 A C S X S- 0 0 1 -3,-2.3 3,-2.5 4,-0.3 -1,-0.2 -0.821 77.2 -36.8-113.7 149.1 16.8 2.7 21.7 64 67 A G T 3 S- 0 0 6 -27,-0.8 -26,-0.1 -2,-0.3 -3,-0.0 -0.172 127.1 -10.1 48.8-116.5 13.6 2.7 23.6 65 68 A R T 3 S+ 0 0 60 -50,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.457 112.4 103.6 -93.7 -3.6 13.8 0.3 26.6 66 69 A S S < S- 0 0 2 -3,-2.5 -52,-0.2 -6,-0.3 -6,-0.1 -0.475 76.5-101.7 -85.2 153.0 17.2 -1.2 25.5 67 70 A E - 0 0 87 -54,-2.8 -5,-2.8 -2,-0.1 -4,-0.3 -0.300 30.4-121.1 -69.5 153.9 20.6 -0.5 27.0 68 71 A E - 0 0 67 -7,-0.2 3,-0.1 -6,-0.2 -1,-0.1 -0.859 24.1-152.1-101.0 121.5 23.1 1.8 25.3 69 72 A P - 0 0 12 0, 0.0 5,-0.1 0, 0.0 -58,-0.0 -0.146 46.5 -56.3 -78.8-178.2 26.5 0.3 24.4 70 73 A D > - 0 0 112 1,-0.1 3,-2.5 2,-0.1 4,-0.1 -0.296 53.5-115.6 -58.2 146.1 29.7 2.3 24.1 71 74 A Q G > S+ 0 0 129 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.777 113.9 69.6 -55.2 -29.0 29.4 5.2 21.7 72 75 A S G 3 S+ 0 0 90 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.705 94.0 57.8 -63.8 -18.5 32.0 3.5 19.5 73 76 A K G < S+ 0 0 78 -3,-2.5 2,-2.4 1,-0.1 -1,-0.3 0.359 70.2 112.7 -93.9 5.4 29.4 0.8 18.8 74 77 A F < + 0 0 7 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.1 -0.479 54.0 114.2 -77.9 74.6 26.9 3.3 17.3 75 78 A T S > S- 0 0 55 -2,-2.4 4,-2.0 1,-0.1 5,-0.1 -0.968 77.2-121.1-143.5 157.3 27.2 1.9 13.8 76 79 A I H > S+ 0 0 8 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.883 113.2 60.1 -65.6 -36.9 25.1 0.0 11.3 77 80 A D H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 106.2 45.8 -58.0 -42.8 27.6 -2.8 11.3 78 81 A Y H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 108.7 56.4 -66.3 -42.5 27.1 -3.4 15.1 79 82 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.840 105.9 52.2 -56.9 -34.2 23.3 -3.2 14.6 80 83 A V H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.941 110.2 45.9 -67.4 -48.9 23.7 -6.1 12.0 81 84 A E H X S+ 0 0 56 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.811 112.2 53.6 -65.0 -28.0 25.6 -8.3 14.4 82 85 A E H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.919 108.1 48.9 -71.0 -44.7 23.1 -7.4 17.1 83 86 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.915 114.2 45.9 -60.5 -44.1 20.2 -8.5 14.9 84 87 A E H X S+ 0 0 23 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.926 111.1 51.1 -65.9 -44.5 21.9 -11.8 14.1 85 88 A A H X S+ 0 0 30 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.891 113.4 47.1 -61.2 -36.6 22.9 -12.5 17.7 86 89 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 5,-0.3 0.893 111.6 49.2 -71.4 -41.3 19.2 -11.9 18.6 87 90 A R H X S+ 0 0 4 -4,-2.4 4,-3.3 1,-0.2 5,-0.5 0.939 114.7 45.4 -61.4 -48.5 17.8 -14.1 15.8 88 91 A S H X S+ 0 0 58 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.869 113.2 50.0 -62.9 -39.2 20.2 -16.9 16.8 89 92 A K H < S+ 0 0 113 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.811 121.9 32.6 -71.9 -30.6 19.5 -16.6 20.5 90 93 A L H < S+ 0 0 41 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.823 137.5 16.8 -95.6 -36.2 15.7 -16.6 20.0 91 94 A F H >< S- 0 0 24 -4,-3.3 3,-2.1 -5,-0.3 2,-0.4 0.376 83.3-157.7-119.8 1.9 15.2 -18.9 17.0 92 95 A G T 3< S- 0 0 28 -4,-1.2 -1,-0.2 -5,-0.5 -2,-0.1 -0.390 73.8 -9.8 61.4-114.0 18.5 -20.7 16.7 93 96 A N T 3 S+ 0 0 153 -2,-0.4 -1,-0.3 2,-0.1 2,-0.1 0.420 99.6 123.4 -98.5 -1.1 19.0 -22.0 13.2 94 97 A E < - 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