==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-SEP-02 1MTZ . COMPND 2 MOLECULE: PROLINE IMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR P.GOETTIG,M.GROLL,J.-S.KIM,R.HUBER,H.BRANDSTETTER . 290 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 75.2 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 . 17 5.9 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 32.8 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 . 2 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 0 131 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.9 -1.9 -6.0 25.4 2 5 A a - 0 0 24 17,-0.1 2,-0.5 1,-0.1 17,-0.2 -0.286 360.0 -92.5 -87.1 174.7 1.4 -7.5 24.2 3 6 A I E -A 18 0A 86 15,-2.2 15,-2.8 -2,-0.1 2,-0.4 -0.790 39.3-166.1 -93.8 128.4 4.3 -8.7 26.3 4 7 A E E +A 17 0A 114 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.930 14.2 163.5-115.8 138.7 7.0 -6.2 27.2 5 8 A N E -A 16 0A 73 11,-2.1 11,-2.2 -2,-0.4 2,-0.4 -0.939 35.1-139.1-148.7 169.7 10.4 -7.1 28.6 6 9 A Y E +A 15 0A 117 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.827 36.0 173.0-135.4 87.1 13.9 -5.8 29.2 7 10 A A E -A 14 0A 7 7,-1.7 7,-3.5 -2,-0.4 2,-0.8 -0.650 37.9-110.4-103.2 158.4 16.4 -8.5 28.4 8 11 A K E -A 13 0A 136 5,-0.3 2,-0.6 -2,-0.2 5,-0.3 -0.773 38.7-179.1 -88.2 110.0 20.2 -8.5 28.2 9 12 A V E > -A 12 0A 7 3,-3.1 3,-1.2 -2,-0.8 77,-0.1 -0.939 66.8 -23.1-116.5 112.0 21.2 -9.0 24.5 10 13 A N T 3 S- 0 0 87 -2,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.886 130.9 -41.2 56.4 43.7 24.9 -9.1 23.7 11 14 A G T 3 S+ 0 0 53 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.233 125.1 76.7 94.1 -15.4 26.0 -7.3 26.8 12 15 A I E < S-A 9 0A 8 -3,-1.2 -3,-3.1 55,-0.0 2,-0.6 -0.914 82.3-103.2-130.1 158.2 23.3 -4.6 27.0 13 16 A Y E -A 8 0A 99 -2,-0.3 54,-2.7 -5,-0.3 2,-0.4 -0.680 37.0-170.1 -84.1 120.5 19.7 -4.3 28.0 14 17 A I E -A 7 0A 0 -7,-3.5 -7,-1.7 -2,-0.6 2,-0.4 -0.921 15.1-138.9-113.7 131.4 17.3 -4.2 25.1 15 18 A Y E +A 6 0A 14 -2,-0.4 44,-2.3 44,-0.4 2,-0.3 -0.703 28.6 174.4 -85.5 134.5 13.6 -3.4 25.4 16 19 A Y E -AB 5 58A 11 -11,-2.2 -11,-2.1 -2,-0.4 2,-0.4 -0.962 23.2-153.1-139.5 159.6 11.2 -5.5 23.2 17 20 A K E -AB 4 57A 27 40,-3.1 40,-3.3 -2,-0.3 2,-0.6 -0.985 10.5-164.5-133.5 118.6 7.5 -5.9 22.8 18 21 A L E -AB 3 56A 11 -15,-2.8 -15,-2.2 -2,-0.4 2,-1.0 -0.909 2.0-168.5-111.3 109.8 6.2 -9.2 21.5 19 22 A a E - B 0 55A 4 36,-2.9 36,-2.4 -2,-0.6 2,-0.1 -0.803 16.1-158.5 -99.3 96.5 2.6 -9.2 20.2 20 23 A K - 0 0 130 -2,-1.0 33,-0.1 34,-0.2 34,-0.1 -0.429 8.1-134.4 -77.4 146.7 1.6 -12.8 19.8 21 24 A A - 0 0 7 5,-0.2 3,-0.2 31,-0.1 33,-0.1 -0.734 22.1-118.6 -97.1 148.6 -1.2 -14.0 17.5 22 25 A P S S+ 0 0 135 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.895 113.1 34.1 -52.0 -41.8 -3.8 -16.5 18.7 23 26 A E S S- 0 0 121 26,-0.3 2,-1.7 -3,-0.0 3,-0.2 -0.946 85.0-149.6-118.1 108.0 -2.6 -18.8 15.9 24 27 A E + 0 0 78 -2,-0.6 29,-0.2 1,-0.2 3,-0.1 -0.559 34.6 154.8 -81.0 82.3 1.1 -18.3 15.3 25 28 A K S S- 0 0 88 27,-2.0 2,-0.3 -2,-1.7 -1,-0.2 0.783 72.4 -3.0 -76.3 -27.3 1.4 -19.1 11.6 26 29 A A E -c 53 0A 0 26,-1.4 28,-2.4 -3,-0.2 2,-0.4 -0.990 62.2-126.8-159.3 162.9 4.5 -17.0 11.4 27 30 A K E -c 54 0A 18 68,-0.3 70,-3.1 -2,-0.3 2,-0.5 -0.963 21.1-165.1-116.4 131.7 6.9 -14.7 13.4 28 31 A L E -cd 55 97A 0 26,-2.9 28,-3.2 -2,-0.4 2,-0.4 -0.972 1.9-162.4-121.3 118.3 7.7 -11.2 12.0 29 32 A M E -cd 56 98A 2 68,-3.1 70,-3.0 -2,-0.5 2,-0.4 -0.787 12.4-154.8 -95.5 142.9 10.7 -9.3 13.5 30 33 A T E - d 0 99A 1 26,-1.5 2,-0.5 -2,-0.4 28,-0.2 -0.927 11.2-158.8-124.0 147.3 10.8 -5.6 12.8 31 34 A M E - d 0 100A 0 68,-1.8 70,-2.1 -2,-0.4 73,-0.1 -0.965 16.4-145.4-125.7 111.8 13.6 -3.0 12.7 32 35 A H - 0 0 1 -2,-0.5 7,-0.1 26,-0.4 4,-0.1 -0.236 19.4-126.0 -69.9 164.9 12.7 0.7 13.2 33 36 A G > + 0 0 0 5,-0.3 4,-1.6 70,-0.2 3,-0.5 0.086 64.3 78.5 -95.1-153.0 14.6 3.3 11.3 34 37 A G T 4 S- 0 0 3 1,-0.3 2,-0.2 2,-0.2 69,-0.1 -0.919 88.7-107.6 128.8-102.2 16.6 6.5 12.2 35 38 A P T 4 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 171,-0.3 0.476 117.2 27.1 -63.4 144.2 19.2 5.4 13.1 36 39 A G T 4 S+ 0 0 1 -3,-0.5 166,-0.4 -2,-0.2 28,-0.3 0.591 91.4 112.2 108.9 11.6 18.1 6.3 16.6 37 40 A M < - 0 0 9 -4,-1.6 27,-0.7 26,-0.1 2,-0.3 0.362 60.0-119.4 -86.3-135.7 14.3 6.2 16.5 38 41 A S - 0 0 0 25,-0.2 3,-0.4 26,-0.1 -5,-0.3 -0.935 24.7 -97.8-160.6 172.4 12.3 3.6 18.4 39 42 A H S > S+ 0 0 1 -2,-0.3 3,-2.2 1,-0.2 4,-0.3 0.698 98.0 92.0 -73.9 -20.0 9.8 0.8 17.6 40 43 A D G > S+ 0 0 10 1,-0.3 3,-2.4 2,-0.2 4,-0.2 0.844 76.8 55.6 -44.2 -53.6 6.8 3.1 18.4 41 44 A Y G 3 S+ 0 0 1 -3,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.609 104.6 57.2 -62.8 -7.9 6.1 4.4 14.9 42 45 A L G X S+ 0 0 0 -3,-2.2 3,-2.4 1,-0.2 -1,-0.3 0.418 73.4 104.2 -99.2 1.0 5.8 0.8 13.6 43 46 A L G X + 0 0 29 -3,-2.4 3,-2.3 1,-0.3 4,-0.2 0.728 62.5 74.6 -56.2 -24.5 3.0 -0.1 16.1 44 47 A S G > S+ 0 0 0 -3,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.726 83.0 71.8 -62.4 -15.9 0.4 0.1 13.4 45 48 A L G X S+ 0 0 0 -3,-2.4 3,-1.9 1,-0.2 -1,-0.3 0.614 71.7 86.9 -73.4 -10.5 1.9 -3.3 12.2 46 49 A R G X + 0 0 107 -3,-2.3 3,-2.4 1,-0.3 4,-0.3 0.790 68.6 80.1 -59.2 -25.3 0.3 -4.9 15.2 47 50 A D G X S+ 0 0 46 -3,-1.2 3,-1.7 1,-0.3 -1,-0.3 0.787 75.9 74.2 -52.8 -28.1 -2.8 -5.4 13.1 48 51 A M G X >S+ 0 0 1 -3,-1.9 5,-1.6 1,-0.3 3,-1.4 0.604 73.9 79.3 -65.2 -9.5 -1.2 -8.4 11.5 49 52 A T G X 5S+ 0 0 24 -3,-2.4 3,-1.7 1,-0.3 -26,-0.3 0.838 84.0 63.6 -66.9 -28.3 -1.7 -10.5 14.6 50 53 A K G < 5S+ 0 0 169 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.663 99.1 55.4 -67.2 -15.4 -5.3 -10.9 13.4 51 54 A E G < 5S- 0 0 95 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.221 129.9 -92.9-101.8 14.0 -3.9 -12.7 10.4 52 55 A G T < 5S+ 0 0 5 -3,-1.7 -27,-2.0 1,-0.2 -26,-1.4 0.693 86.0 133.9 83.8 19.7 -2.0 -15.3 12.5 53 56 A I E < - c 0 26A 0 -5,-1.6 2,-0.4 -28,-0.2 -1,-0.2 -0.894 46.9-149.8-112.0 110.9 1.2 -13.2 12.4 54 57 A T E - c 0 27A 0 -28,-2.4 -26,-2.9 -2,-0.6 2,-0.5 -0.597 18.2-151.5 -74.2 127.9 3.1 -12.7 15.7 55 58 A V E -Bc 19 28A 0 -36,-2.4 -36,-2.9 -2,-0.4 2,-0.5 -0.908 7.7-159.8-112.0 124.8 4.9 -9.3 15.6 56 59 A L E -Bc 18 29A 0 -28,-3.2 -26,-1.5 -2,-0.5 2,-0.3 -0.885 11.1-178.0-102.9 125.4 8.1 -8.6 17.4 57 60 A F E +B 17 0A 0 -40,-3.3 -40,-3.1 -2,-0.5 2,-0.3 -0.877 7.3 168.7-115.9 147.7 9.0 -4.9 18.1 58 61 A Y E -B 16 0A 1 -2,-0.3 2,-0.6 -42,-0.3 -26,-0.4 -0.982 36.3-121.2-159.2 153.1 12.2 -3.8 19.8 59 62 A D - 0 0 0 -44,-2.3 -44,-0.4 -2,-0.3 3,-0.1 -0.878 39.0-131.4 -95.8 118.1 14.2 -0.6 20.5 60 63 A Q > - 0 0 3 -2,-0.6 3,-2.5 1,-0.2 6,-0.3 -0.087 47.7 -53.6 -65.3 169.9 17.7 -1.1 19.0 61 64 A F T 3 S+ 0 0 3 1,-0.3 7,-0.2 12,-0.1 -1,-0.2 -0.091 127.3 3.4 -46.4 137.9 20.8 -0.3 21.0 62 65 A G T 3 S+ 0 0 0 5,-2.5 139,-0.6 1,-0.2 138,-0.4 0.495 110.4 115.1 63.2 6.3 20.9 3.2 22.5 63 66 A C S X S- 0 0 2 -3,-2.5 3,-2.5 4,-0.3 -1,-0.2 -0.787 77.9 -35.9-111.0 151.5 17.3 3.8 21.2 64 67 A G T 3 S- 0 0 5 -27,-0.7 -26,-0.1 -28,-0.3 -2,-0.0 -0.157 128.4 -7.7 45.7-117.4 14.0 4.4 22.9 65 68 A R T 3 S+ 0 0 64 -50,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.502 113.1 101.1 -88.8 -5.7 13.8 2.4 26.1 66 69 A S S < S- 0 0 2 -3,-2.5 -52,-0.2 -6,-0.3 2,-0.1 -0.402 76.2-105.3 -83.3 156.1 17.0 0.4 25.5 67 70 A E - 0 0 67 -54,-2.7 -5,-2.5 -2,-0.1 -4,-0.3 -0.425 31.3-116.4 -80.9 155.7 20.4 1.0 27.0 68 71 A E - 0 0 62 -7,-0.2 3,-0.1 -6,-0.2 2,-0.1 -0.783 25.6-154.5 -94.7 130.4 23.2 2.7 25.2 69 72 A P - 0 0 9 0, 0.0 5,-0.0 0, 0.0 -58,-0.0 -0.267 45.7 -59.8 -89.5-178.0 26.4 0.6 24.5 70 73 A D > - 0 0 103 1,-0.1 3,-2.7 -2,-0.1 4,-0.1 -0.376 50.5-117.9 -63.1 144.0 29.9 2.1 24.0 71 74 A Q G > S+ 0 0 114 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.720 111.8 73.8 -56.8 -21.2 30.0 4.4 20.9 72 75 A S G 3 S+ 0 0 83 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.703 94.8 53.3 -66.2 -16.0 32.5 2.0 19.4 73 76 A K G < S+ 0 0 81 -3,-2.7 2,-2.7 1,-0.1 -1,-0.3 0.331 72.8 113.0 -99.1 5.4 29.5 -0.3 18.9 74 77 A F < + 0 0 9 -3,-1.9 2,-0.3 -4,-0.1 -1,-0.1 -0.419 55.3 115.0 -76.7 67.3 27.4 2.3 17.1 75 78 A T S > S- 0 0 54 -2,-2.7 4,-2.0 1,-0.1 5,-0.1 -0.949 76.8-123.8-137.5 157.8 27.6 0.2 13.8 76 79 A I H > S+ 0 0 10 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.850 113.6 58.6 -67.7 -32.2 25.3 -1.6 11.5 77 80 A D H > S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.893 107.4 46.0 -63.7 -39.0 27.4 -4.7 12.0 78 81 A Y H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 109.6 55.5 -70.3 -37.6 26.8 -4.6 15.8 79 82 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.878 105.3 53.4 -60.8 -38.2 23.1 -4.0 15.1 80 83 A V H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.938 109.3 46.2 -62.5 -48.2 23.0 -7.2 13.0 81 84 A E H X S+ 0 0 54 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.872 111.1 54.3 -64.8 -35.0 24.5 -9.3 15.8 82 85 A E H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.937 108.7 48.1 -61.5 -48.5 22.1 -7.7 18.3 83 86 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.920 112.4 48.4 -59.7 -45.9 19.1 -8.7 16.1 84 87 A E H X S+ 0 0 25 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.869 110.7 50.7 -64.5 -37.6 20.3 -12.3 15.7 85 88 A A H X S+ 0 0 27 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.903 112.5 47.0 -66.1 -40.6 20.9 -12.6 19.4 86 89 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.922 111.5 50.9 -67.3 -42.8 17.4 -11.3 20.1 87 90 A R H X S+ 0 0 2 -4,-2.7 4,-3.4 1,-0.2 5,-0.5 0.948 113.0 44.8 -58.3 -52.3 15.8 -13.6 17.4 88 91 A S H X S+ 0 0 52 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.903 111.8 53.2 -58.7 -44.7 17.5 -16.7 18.8 89 92 A K H < S+ 0 0 111 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.884 121.6 29.8 -60.1 -40.3 16.7 -15.8 22.4 90 93 A L H < S+ 0 0 40 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.824 137.2 20.8 -92.3 -32.0 13.0 -15.4 21.7 91 94 A F H >< S- 0 0 22 -4,-3.4 3,-1.8 -5,-0.3 2,-0.3 0.410 83.0-156.4-119.0 -0.0 12.4 -17.9 18.8 92 95 A G T 3< S- 0 0 28 -4,-2.1 -1,-0.2 -5,-0.5 -2,-0.1 -0.421 71.1 -18.0 64.1-118.5 15.3 -20.3 19.1 93 96 A N T 3 S+ 0 0 150 -2,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.321 99.5 124.0-106.0 7.0 15.9 -22.0 15.7 94 97 A E < - 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