==== 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 1XRN . 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) . 12085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 75.6 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 . 23 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.8 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 2 1 0 0 0 0 1 0 2 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 . 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 0 129 0, 0.0 19,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 141.9 -0.4 -9.4 24.2 2 5 A a - 0 0 21 17,-0.1 2,-0.9 1,-0.0 17,-0.3 -0.607 360.0-114.4 -94.1 152.9 3.3 -9.6 23.3 3 6 A I E -A 18 0A 91 15,-3.2 15,-2.1 -2,-0.2 2,-0.2 -0.763 38.4-168.8 -88.6 104.0 6.0 -11.2 25.4 4 7 A E E +A 17 0A 109 -2,-0.9 2,-0.3 13,-0.2 13,-0.2 -0.536 11.8 162.5 -90.8 157.9 8.4 -8.3 26.5 5 8 A N E -A 16 0A 75 11,-1.3 11,-1.4 -2,-0.2 -2,-0.0 -0.981 38.8-141.3-163.6 172.0 11.8 -8.8 28.2 6 9 A Y E +A 15 0A 105 -2,-0.3 9,-0.2 9,-0.2 2,-0.1 -0.379 43.8 158.7-139.7 55.8 15.1 -7.2 29.1 7 10 A A E -A 14 0A 16 7,-0.5 7,-2.9 6,-0.1 2,-0.4 -0.312 47.3 -94.6 -82.0 164.4 17.6 -10.0 28.5 8 11 A K E -A 13 0A 120 5,-0.3 2,-0.4 -2,-0.1 5,-0.3 -0.654 41.4-176.5 -81.7 128.0 21.4 -9.7 27.9 9 12 A V E > -A 12 0A 2 3,-2.1 3,-0.8 -2,-0.4 77,-0.1 -0.871 65.3 -28.7-133.4 103.5 22.3 -9.7 24.2 10 13 A N T 3 S- 0 0 79 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.806 128.8 -39.9 66.7 31.0 25.9 -9.7 23.0 11 14 A G T 3 S+ 0 0 46 1,-0.1 2,-0.4 71,-0.0 -1,-0.2 -0.275 126.1 67.9 118.5 -51.2 27.1 -7.8 26.1 12 15 A I E < S-A 9 0A 14 -3,-0.8 -3,-2.1 55,-0.1 2,-0.3 -0.845 87.3-102.9-109.6 145.2 24.5 -5.2 26.9 13 16 A Y E -A 8 0A 110 -2,-0.4 54,-2.0 -5,-0.3 2,-0.4 -0.473 42.0-166.5 -65.0 124.9 20.9 -5.8 28.1 14 17 A I E -A 7 0A 0 -7,-2.9 -7,-0.5 -2,-0.3 2,-0.3 -0.940 14.2-134.9-118.3 137.2 18.5 -5.3 25.2 15 18 A Y E +A 6 0A 14 -2,-0.4 44,-2.1 44,-0.3 2,-0.3 -0.695 28.6 175.3 -88.0 139.7 14.7 -4.9 25.3 16 19 A Y E -AB 5 58A 20 -11,-1.4 -11,-1.3 -2,-0.3 2,-0.5 -0.996 23.9-148.6-145.2 150.1 12.6 -6.8 22.8 17 20 A K E -AB 4 57A 28 40,-3.4 40,-3.5 -2,-0.3 2,-0.7 -0.920 13.1-169.7-123.4 105.3 8.9 -7.4 22.2 18 21 A L E -AB 3 56A 17 -15,-2.1 -15,-3.2 -2,-0.5 2,-0.9 -0.840 1.4-169.3 -97.5 111.2 7.9 -10.7 20.7 19 22 A a E - B 0 55A 3 36,-2.4 36,-1.7 -2,-0.7 -17,-0.1 -0.855 14.6-154.0-102.1 100.7 4.3 -10.9 19.5 20 23 A K - 0 0 131 -2,-0.9 33,-0.1 -19,-0.3 29,-0.1 -0.436 10.5-127.5 -75.1 146.2 3.5 -14.5 18.8 21 24 A A > - 0 0 10 -2,-0.1 3,-1.7 1,-0.1 33,-0.1 -0.787 14.8-125.1 -97.3 136.6 0.9 -15.4 16.3 22 25 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 0.833 113.4 22.2 -44.0 -44.3 -2.0 -17.9 17.3 23 26 A E T 3 S- 0 0 162 26,-0.4 31,-0.0 -3,-0.0 -3,-0.0 -0.491 93.0-159.3-124.5 61.1 -1.1 -20.0 14.3 24 27 A E < + 0 0 72 -3,-1.7 29,-0.2 1,-0.2 3,-0.1 -0.051 26.1 161.7 -43.9 133.9 2.6 -19.0 13.6 25 28 A K + 0 0 119 27,-2.3 2,-0.3 1,-0.4 28,-0.2 0.445 69.7 9.0-129.7 -17.9 3.7 -19.7 10.0 26 29 A A E -c 53 0A 5 26,-1.0 28,-1.4 264,-0.1 2,-0.6 -0.914 65.0-134.3-166.6 138.8 6.7 -17.4 9.9 27 30 A K E -c 54 0A 24 68,-0.3 70,-2.3 -2,-0.3 2,-0.5 -0.886 20.5-162.3-104.7 119.3 8.7 -15.3 12.3 28 31 A L E -cd 55 97A 0 26,-3.4 28,-3.0 -2,-0.6 2,-0.4 -0.863 3.2-154.7-104.1 129.8 9.6 -11.7 11.1 29 32 A M E -cd 56 98A 0 68,-4.2 70,-2.0 -2,-0.5 2,-0.3 -0.823 13.2-150.1-102.6 140.5 12.3 -9.7 12.8 30 33 A T E - d 0 99A 2 26,-1.9 2,-0.4 -2,-0.4 70,-0.2 -0.832 13.0-163.7-116.1 153.7 12.2 -5.9 12.7 31 34 A M E - d 0 100A 0 68,-1.0 70,-2.2 -2,-0.3 77,-0.1 -0.906 18.7-145.9-135.8 102.0 14.8 -3.1 12.7 32 35 A H - 0 0 1 26,-0.5 4,-0.1 -2,-0.4 7,-0.1 -0.228 18.5-119.8 -65.5 157.3 13.6 0.4 13.5 33 36 A G >> + 0 0 0 5,-0.2 4,-1.1 70,-0.2 3,-0.5 0.176 66.4 77.2 -79.8-158.0 15.2 3.4 11.9 34 37 A G T 34 S- 0 0 0 1,-0.3 -1,-0.1 2,-0.2 2,-0.1 -0.873 85.4-109.8 140.7-109.3 17.0 6.4 13.4 35 38 A P T 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 171,-0.2 0.491 114.8 18.7 -74.2 139.1 19.7 5.7 14.2 36 39 A G T <4 S+ 0 0 0 -3,-0.5 28,-0.4 -4,-0.1 166,-0.3 0.506 96.4 106.5 114.4 6.9 18.6 6.0 17.9 37 40 A M < - 0 0 12 -4,-1.1 27,-0.8 26,-0.1 2,-0.3 0.434 61.8-115.4 -86.9-129.8 14.8 5.8 17.7 38 41 A S - 0 0 0 25,-0.1 3,-0.4 21,-0.1 -5,-0.2 -0.950 23.0 -97.1-160.9 177.4 12.9 2.7 18.8 39 42 A H S > S+ 0 0 0 -2,-0.3 3,-2.5 1,-0.2 4,-0.4 0.715 98.6 93.1 -74.9 -22.6 10.6 -0.2 17.8 40 43 A D G > S+ 0 0 7 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.809 77.7 54.1 -39.1 -52.8 7.6 1.9 18.9 41 44 A Y G 3 S+ 0 0 3 -3,-0.4 -1,-0.3 1,-0.3 148,-0.1 0.293 106.8 55.4 -72.4 14.8 6.8 3.5 15.5 42 45 A L G X S+ 0 0 0 -3,-2.5 3,-2.6 146,-0.1 -1,-0.3 0.417 71.3 103.5-122.7 -2.5 6.7 0.0 14.0 43 46 A L G X + 0 0 28 -3,-1.7 3,-2.9 -4,-0.4 4,-0.2 0.745 65.8 75.3 -51.6 -29.4 4.1 -1.5 16.3 44 47 A S G > S+ 0 0 0 1,-0.3 3,-1.2 -4,-0.2 -1,-0.3 0.749 82.2 70.7 -58.0 -21.0 1.5 -1.1 13.5 45 48 A L G X S+ 0 0 0 -3,-2.6 3,-1.6 1,-0.3 -1,-0.3 0.570 73.4 86.9 -72.7 -7.5 3.2 -4.1 12.0 46 49 A R G X + 0 0 94 -3,-2.9 3,-3.2 1,-0.3 4,-0.3 0.837 66.7 80.0 -60.3 -32.1 1.7 -6.2 14.8 47 50 A D G X S+ 0 0 38 -3,-1.2 3,-1.8 1,-0.3 -1,-0.3 0.753 77.1 73.9 -46.3 -28.9 -1.4 -6.6 12.6 48 51 A M G X >S+ 0 0 0 -3,-1.6 3,-1.3 1,-0.3 5,-1.1 0.572 75.6 77.5 -66.0 -8.3 0.5 -9.3 10.8 49 52 A T G X 5S+ 0 0 21 -3,-3.2 3,-1.3 1,-0.3 -26,-0.4 0.798 85.6 61.9 -70.0 -27.6 0.1 -11.6 13.8 50 53 A K G < 5S+ 0 0 162 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.188 101.2 55.9 -81.8 18.2 -3.5 -12.1 12.5 51 54 A E G < 5S- 0 0 102 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.121 126.8 -92.9-132.9 15.4 -1.8 -13.6 9.4 52 55 A G T < 5S+ 0 0 9 -3,-1.3 -27,-2.3 1,-0.2 -26,-1.0 0.858 87.7 127.3 73.9 36.4 0.3 -16.3 11.0 53 56 A I E < - c 0 26A 0 -5,-1.1 2,-0.3 -29,-0.2 -26,-0.2 -0.894 48.8-151.7-131.9 102.7 3.4 -14.0 11.3 54 57 A T E - c 0 27A 1 -28,-1.4 -26,-3.4 -2,-0.4 2,-0.5 -0.555 16.3-152.3 -72.6 130.2 5.1 -13.6 14.6 55 58 A V E -Bc 19 28A 0 -36,-1.7 -36,-2.4 -2,-0.3 2,-0.6 -0.930 4.5-156.0-113.4 119.4 6.7 -10.2 14.8 56 59 A L E -Bc 18 29A 1 -28,-3.0 -26,-1.9 -2,-0.5 2,-0.3 -0.814 13.6-172.4 -94.3 117.9 9.8 -9.6 17.0 57 60 A F E +B 17 0A 0 -40,-3.5 -40,-3.4 -2,-0.6 2,-0.3 -0.788 11.1 161.3-105.7 152.1 10.3 -6.0 18.0 58 61 A Y E -B 16 0A 1 -2,-0.3 2,-0.6 -42,-0.3 -26,-0.5 -0.963 38.8-115.5-168.2 152.7 13.4 -4.6 19.8 59 62 A D - 0 0 0 -44,-2.1 -44,-0.3 -2,-0.3 3,-0.1 -0.832 36.3-130.7 -96.4 118.4 15.4 -1.5 20.7 60 63 A Q > - 0 0 3 -2,-0.6 3,-2.4 1,-0.2 6,-0.2 -0.118 51.5 -55.8 -58.2 163.0 18.9 -1.4 19.1 61 64 A F T 3 S+ 0 0 2 1,-0.3 7,-0.2 12,-0.1 -1,-0.2 -0.036 127.8 8.0 -43.8 138.9 21.9 -0.6 21.4 62 65 A G T 3 S+ 0 0 0 5,-2.0 139,-0.5 1,-0.2 138,-0.5 0.497 108.6 119.1 64.6 5.0 21.6 2.8 23.2 63 66 A C S X S- 0 0 1 -3,-2.4 3,-1.3 4,-0.3 -1,-0.2 -0.693 76.6 -39.4-104.4 156.5 18.0 3.0 22.0 64 67 A G T 3 S- 0 0 7 -27,-0.8 -26,-0.1 -28,-0.4 -3,-0.0 -0.045 126.6 -9.5 37.7-108.0 14.6 3.3 23.7 65 68 A R T 3 S+ 0 0 60 -50,-0.1 -1,-0.3 2,-0.1 -49,-0.1 0.713 111.8 96.5 -92.9 -25.3 14.8 0.9 26.7 66 69 A S S < S- 0 0 1 -3,-1.3 -52,-0.2 -6,-0.2 2,-0.1 -0.203 81.0-101.8 -64.7 158.7 18.0 -0.9 26.0 67 70 A E - 0 0 72 -54,-2.0 -5,-2.0 -5,-0.1 -4,-0.3 -0.460 32.6-109.7 -83.5 155.3 21.3 0.2 27.6 68 71 A E - 0 0 63 -6,-0.2 3,-0.1 -7,-0.2 -1,-0.1 -0.700 32.2-152.7 -87.1 128.3 23.8 2.3 25.9 69 72 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.200 43.3 -56.3 -85.8-174.7 27.1 0.5 25.0 70 73 A D > - 0 0 103 1,-0.1 3,-3.8 2,-0.1 4,-0.1 -0.418 50.7-120.1 -64.3 135.1 30.6 2.0 24.6 71 74 A Q G > S+ 0 0 126 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.746 112.8 70.3 -48.0 -28.0 30.6 4.7 21.9 72 75 A S G 3 S+ 0 0 89 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.702 96.0 54.9 -64.0 -17.9 33.2 2.6 20.1 73 76 A K G < S+ 0 0 85 -3,-3.8 2,-2.0 1,-0.1 -1,-0.3 0.259 73.1 109.9 -98.0 9.8 30.3 0.3 19.5 74 77 A F < + 0 0 3 -3,-2.1 2,-0.3 -4,-0.1 -1,-0.1 -0.406 58.2 105.5 -82.8 61.7 28.1 3.0 17.9 75 78 A T S > S- 0 0 64 -2,-2.0 4,-2.0 1,-0.1 3,-0.3 -0.955 80.8-117.1-139.1 159.2 28.4 1.4 14.4 76 79 A I H > S+ 0 0 9 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.885 113.5 61.2 -60.0 -40.1 26.3 -0.6 12.0 77 80 A D H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.910 107.7 44.6 -54.4 -42.7 28.8 -3.5 12.2 78 81 A Y H > S+ 0 0 23 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.906 110.0 55.9 -67.8 -41.1 27.9 -3.7 15.9 79 82 A G H X S+ 0 0 1 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.910 105.3 52.6 -57.4 -43.0 24.2 -3.4 15.1 80 83 A V H X S+ 0 0 5 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.967 108.7 47.7 -57.7 -55.1 24.4 -6.4 12.9 81 84 A E H X S+ 0 0 62 -4,-1.8 4,-3.4 1,-0.3 5,-0.3 0.902 111.3 52.3 -53.6 -43.2 26.1 -8.6 15.5 82 85 A E H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.3 0.908 109.5 49.4 -59.5 -42.5 23.4 -7.5 18.0 83 86 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.945 115.4 43.8 -60.9 -48.0 20.7 -8.4 15.5 84 87 A E H X S+ 0 0 26 -4,-2.8 4,-2.2 2,-0.2 3,-0.3 0.968 112.3 50.1 -61.6 -58.0 22.3 -11.8 14.9 85 88 A A H X S+ 0 0 31 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.833 113.1 49.3 -50.3 -34.8 23.0 -12.5 18.6 86 89 A L H X S+ 0 0 1 -4,-1.8 4,-0.6 -5,-0.3 5,-0.3 0.883 107.4 53.3 -75.1 -36.7 19.4 -11.6 19.3 87 90 A R H X S+ 0 0 2 -4,-2.0 4,-2.5 -3,-0.3 5,-0.5 0.857 117.7 36.9 -66.2 -36.8 18.0 -13.9 16.5 88 91 A S H X S+ 0 0 53 -4,-2.2 4,-1.6 3,-0.2 -2,-0.2 0.926 109.9 58.5 -80.9 -50.2 19.8 -16.9 17.9 89 92 A K H < S+ 0 0 96 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.669 124.4 26.4 -55.1 -13.3 19.4 -16.1 21.6 90 93 A L H < S+ 0 0 46 -4,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.771 139.9 16.6-115.9 -49.9 15.7 -16.2 20.8 91 94 A F H >< S- 0 0 28 -4,-2.5 3,-1.2 -5,-0.3 2,-0.6 0.550 85.1-156.3-105.2 -11.6 15.0 -18.4 17.8 92 95 A G T 3< - 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