==== 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 1XRM . COMPND 2 MOLECULE: PROLINE IMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR P.GOETTIG,H.BRANDSTETTER,M.GROLL,W.GOEHRING,P.V.KONAREV, . 293 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.1 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 . 30 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 . 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 0 191 0, 0.0 19,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-179.6 -0.6 -9.2 24.5 2 5 A a - 0 0 12 17,-0.1 2,-0.8 1,-0.1 17,-0.2 -0.429 360.0-112.3 -80.5 157.1 3.0 -9.5 23.4 3 6 A I E -A 18 0A 102 15,-2.9 15,-2.4 -2,-0.1 2,-0.2 -0.823 37.8-168.7 -95.8 111.0 5.6 -11.1 25.5 4 7 A E E +A 17 0A 109 -2,-0.8 2,-0.3 13,-0.2 13,-0.2 -0.602 9.6 170.1 -96.7 158.3 8.2 -8.5 26.6 5 8 A N E -A 16 0A 78 11,-1.8 11,-1.9 -2,-0.2 2,-0.4 -0.982 34.1-142.1-165.3 155.0 11.5 -9.0 28.3 6 9 A Y + 0 0 109 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.660 43.4 161.0-121.7 71.5 14.8 -7.2 29.3 7 10 A A - 0 0 14 7,-0.5 7,-2.2 -2,-0.4 2,-0.3 -0.613 45.7-101.3 -96.3 154.7 17.4 -9.9 28.6 8 11 A K E -H 13 0B 118 5,-0.3 2,-0.4 -2,-0.2 5,-0.3 -0.569 43.2-177.3 -73.2 127.8 21.2 -9.6 28.1 9 12 A V E > -H 12 0B 4 3,-2.9 3,-1.2 -2,-0.3 77,-0.1 -0.967 62.1 -18.6-136.9 120.9 22.1 -9.7 24.4 10 13 A N T 3 S- 0 0 74 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.816 130.6 -47.0 57.0 32.3 25.6 -9.6 22.9 11 14 A G T 3 S+ 0 0 51 1,-0.2 2,-0.3 71,-0.0 -1,-0.3 -0.238 126.3 71.9 108.1 -46.2 26.9 -8.2 26.1 12 15 A I E < S-H 9 0B 19 -3,-1.2 -3,-2.9 55,-0.1 2,-0.5 -0.759 87.7 -99.6-108.6 153.9 24.4 -5.4 26.9 13 16 A Y E -H 8 0B 101 -2,-0.3 54,-2.6 -5,-0.3 2,-0.3 -0.582 43.5-171.6 -73.2 118.7 20.8 -5.6 28.1 14 17 A I - 0 0 0 -7,-2.2 2,-0.5 -2,-0.5 -7,-0.5 -0.763 19.3-130.4-109.1 154.2 18.4 -5.1 25.2 15 18 A Y E + B 0 59A 17 44,-0.6 44,-2.5 -2,-0.3 2,-0.3 -0.918 32.1 171.9-106.1 126.6 14.6 -4.6 25.3 16 19 A Y E -AB 5 58A 17 -11,-1.9 -11,-1.8 -2,-0.5 2,-0.4 -0.970 21.4-157.0-135.1 152.4 12.6 -6.8 22.9 17 20 A K E -AB 4 57A 21 40,-3.0 40,-3.0 -2,-0.3 2,-0.6 -0.933 9.0-163.3-132.1 108.2 8.9 -7.5 22.4 18 21 A L E -AB 3 56A 15 -15,-2.4 -15,-2.9 -2,-0.4 2,-0.8 -0.811 2.6-169.6 -95.2 119.4 7.8 -10.8 20.8 19 22 A a E - B 0 55A 3 36,-2.9 36,-2.2 -2,-0.6 2,-0.2 -0.872 15.4-153.7-109.3 100.2 4.2 -10.9 19.5 20 23 A K - 0 0 135 -2,-0.8 34,-0.1 34,-0.2 33,-0.1 -0.481 13.2-123.1 -76.8 139.4 3.4 -14.5 18.5 21 24 A A > - 0 0 8 -2,-0.2 3,-1.9 5,-0.2 33,-0.1 -0.657 17.4-127.5 -82.3 133.4 0.8 -15.3 15.9 22 25 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 0.806 112.0 22.4 -46.7 -37.8 -2.1 -17.6 17.0 23 26 A E T 3 S- 0 0 166 26,-0.4 31,-0.0 -3,-0.0 -2,-0.0 -0.430 98.6-153.8-129.6 55.6 -1.4 -19.9 14.1 24 27 A E < + 0 0 72 -3,-1.9 29,-0.2 1,-0.1 3,-0.1 0.105 30.0 163.1 -37.0 133.9 2.3 -18.9 13.4 25 28 A K + 0 0 127 27,-3.2 2,-0.3 1,-0.4 28,-0.2 0.394 67.7 7.7-131.1 -14.0 3.5 -19.4 9.8 26 29 A A E -c 53 0A 6 26,-0.9 28,-2.4 264,-0.1 2,-0.5 -0.933 63.3-125.7-170.2 147.8 6.6 -17.2 9.9 27 30 A K E -c 54 0A 19 68,-0.3 70,-3.0 -2,-0.3 2,-0.5 -0.874 24.1-165.3-102.2 124.2 8.8 -15.2 12.2 28 31 A L E -cd 55 97A 1 26,-3.8 28,-3.2 -2,-0.5 2,-0.4 -0.941 2.7-160.3-113.9 123.2 9.4 -11.6 11.3 29 32 A M E -cd 56 98A 0 68,-3.8 70,-3.0 -2,-0.5 2,-0.3 -0.829 12.2-154.2 -99.3 134.4 12.2 -9.6 12.9 30 33 A T E - d 0 99A 1 26,-2.3 2,-0.4 -2,-0.4 70,-0.2 -0.837 11.5-162.4-114.0 150.9 12.0 -5.7 12.8 31 34 A M E - d 0 100A 0 68,-1.3 70,-2.1 -2,-0.3 73,-0.1 -0.970 19.7-140.9-129.9 113.7 14.7 -3.0 12.9 32 35 A H - 0 0 1 26,-0.5 7,-0.1 -2,-0.4 4,-0.1 -0.191 19.8-115.9 -69.1 163.7 13.5 0.5 13.7 33 36 A G > + 0 0 0 5,-0.3 4,-1.0 70,-0.2 3,-0.5 0.179 69.0 66.5 -82.2-155.0 14.9 3.6 12.0 34 37 A G T 4 S- 0 0 0 258,-3.0 69,-0.1 1,-0.3 2,-0.1 -0.947 87.0-106.9 128.0-116.6 16.9 6.5 13.4 35 38 A P T 4 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 171,-0.3 0.491 118.7 22.4 -66.9 143.2 19.6 5.8 14.4 36 39 A G T 4 S+ 0 0 0 -3,-0.5 28,-0.5 165,-0.2 163,-0.2 0.379 93.3 109.9 113.9 -4.8 18.2 6.3 17.9 37 40 A M < - 0 0 5 -4,-1.0 27,-1.0 255,-0.1 2,-0.3 0.569 59.3-124.4 -72.9-131.5 14.5 5.8 17.6 38 41 A S > - 0 0 0 25,-0.2 3,-0.7 21,-0.1 -5,-0.3 -0.970 24.6 -94.2-171.1 169.9 12.7 2.7 19.0 39 42 A H G >> S+ 0 0 2 -2,-0.3 3,-3.2 1,-0.2 4,-0.6 0.798 101.7 90.9 -65.5 -29.0 10.5 -0.2 18.1 40 43 A D G >4 S+ 0 0 9 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.782 82.0 50.2 -34.8 -51.0 7.5 1.9 19.1 41 44 A Y G <4 S+ 0 0 2 -3,-0.7 -1,-0.3 1,-0.2 148,-0.1 0.414 108.0 55.3 -77.6 5.3 6.8 3.4 15.7 42 45 A L G X4 S+ 0 0 0 -3,-3.2 3,-2.6 146,-0.1 -1,-0.2 0.456 74.6 100.2-111.4 -5.6 6.9 0.0 14.0 43 46 A L G X< + 0 0 26 -3,-1.2 3,-3.1 -4,-0.6 4,-0.2 0.773 64.1 77.5 -51.5 -30.1 4.2 -1.5 16.3 44 47 A S G > S+ 0 0 0 1,-0.3 3,-1.3 -4,-0.2 -1,-0.3 0.786 81.6 69.5 -53.1 -25.0 1.6 -1.0 13.5 45 48 A L G X S+ 0 0 0 -3,-2.6 3,-1.1 1,-0.3 -1,-0.3 0.474 74.4 89.8 -72.1 0.3 3.2 -4.1 11.9 46 49 A R G X + 0 0 70 -3,-3.1 3,-2.8 1,-0.2 4,-0.3 0.846 66.5 76.3 -65.5 -31.7 1.7 -6.0 14.8 47 50 A D G X S+ 0 0 45 -3,-1.3 3,-2.1 1,-0.3 -1,-0.2 0.789 78.3 75.6 -49.3 -30.9 -1.5 -6.5 12.7 48 51 A M G X >S+ 0 0 0 -3,-1.1 3,-1.6 1,-0.3 5,-1.5 0.628 75.5 74.1 -60.5 -15.0 0.5 -9.2 10.8 49 52 A T G X 5S+ 0 0 22 -3,-2.8 3,-1.5 1,-0.3 -26,-0.4 0.803 88.0 63.0 -67.5 -26.7 0.1 -11.6 13.7 50 53 A K G < 5S+ 0 0 160 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.571 99.9 55.3 -70.9 -9.7 -3.5 -11.9 12.5 51 54 A E G < 5S- 0 0 101 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.029 129.7 -94.6-109.8 23.1 -2.0 -13.3 9.3 52 55 A G T < 5S+ 0 0 8 -3,-1.5 -27,-3.2 1,-0.2 -26,-0.9 0.790 87.0 130.1 70.7 28.0 0.0 -16.1 11.0 53 56 A I E < - c 0 26A 0 -5,-1.5 2,-0.3 -29,-0.2 -2,-0.2 -0.946 49.4-147.6-121.8 112.2 3.1 -13.9 11.2 54 57 A T E - c 0 27A 1 -28,-2.4 -26,-3.8 -2,-0.5 2,-0.5 -0.599 16.9-153.4 -76.0 132.0 5.0 -13.6 14.5 55 58 A V E -Bc 19 28A 0 -36,-2.2 -36,-2.9 -2,-0.3 2,-0.6 -0.939 6.7-158.5-116.4 126.0 6.6 -10.2 14.9 56 59 A L E -Bc 18 29A 1 -28,-3.2 -26,-2.3 -2,-0.5 2,-0.3 -0.886 12.2-174.1-103.4 114.6 9.7 -9.4 17.0 57 60 A F E +B 17 0A 0 -40,-3.0 -40,-3.0 -2,-0.6 2,-0.3 -0.726 10.3 164.1-102.4 154.4 10.2 -5.8 18.1 58 61 A Y E -B 16 0A 1 -42,-0.3 2,-0.5 -2,-0.3 -26,-0.5 -0.923 37.5-118.0-169.6 146.1 13.3 -4.5 19.9 59 62 A D E -B 15 0A 0 -44,-2.5 -44,-0.6 -2,-0.3 3,-0.1 -0.758 36.0-134.5 -88.2 126.2 15.2 -1.4 20.8 60 63 A Q > - 0 0 2 -2,-0.5 3,-2.6 1,-0.2 6,-0.2 -0.152 49.8 -51.0 -71.4 173.9 18.6 -1.3 19.4 61 64 A F T 3 S+ 0 0 1 1,-0.3 7,-0.2 12,-0.1 -1,-0.2 -0.200 129.0 3.6 -51.3 126.6 21.7 -0.3 21.4 62 65 A G T 3 S+ 0 0 0 5,-1.5 138,-0.4 1,-0.3 139,-0.4 0.466 109.2 116.8 76.9 3.0 21.2 3.0 23.2 63 66 A C S X S- 0 0 1 -3,-2.6 3,-1.3 4,-0.3 -1,-0.3 -0.681 76.8 -34.6-104.9 156.7 17.6 3.2 22.0 64 67 A G T 3 S- 0 0 6 -27,-1.0 -26,-0.1 -28,-0.5 -3,-0.0 -0.054 124.8 -15.6 40.1-113.2 14.3 3.2 23.8 65 68 A R T 3 S+ 0 0 65 -50,-0.1 -1,-0.3 2,-0.1 -49,-0.1 0.640 110.3 100.3 -96.5 -19.4 14.5 1.0 26.8 66 69 A S S < S- 0 0 1 -3,-1.3 -52,-0.2 -6,-0.2 2,-0.1 -0.285 79.7-101.8 -66.2 155.1 17.7 -0.9 26.0 67 70 A E - 0 0 72 -54,-2.6 -5,-1.5 -5,-0.1 -4,-0.3 -0.414 31.4-112.5 -81.0 154.5 20.9 0.1 27.6 68 71 A E - 0 0 66 -7,-0.2 3,-0.1 -6,-0.2 -1,-0.1 -0.755 30.9-152.1 -90.0 125.8 23.6 2.2 25.9 69 72 A P - 0 0 11 0, 0.0 5,-0.1 0, 0.0 -58,-0.0 -0.268 44.0 -54.5 -86.9 177.8 26.9 0.4 25.1 70 73 A D > - 0 0 104 1,-0.2 3,-3.2 2,-0.1 4,-0.1 -0.257 52.8-121.0 -53.0 135.5 30.4 1.9 24.8 71 74 A Q G > S+ 0 0 112 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.694 111.4 69.8 -53.9 -21.6 30.3 4.7 22.2 72 75 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.665 95.6 56.9 -70.4 -14.1 33.0 2.8 20.2 73 76 A K G < S+ 0 0 95 -3,-3.2 2,-2.0 1,-0.1 -1,-0.3 0.254 70.9 111.6-100.0 12.1 30.1 0.3 19.6 74 77 A F < + 0 0 6 -3,-1.6 2,-0.3 4,-0.1 -1,-0.1 -0.495 55.1 117.5 -84.3 69.5 27.8 2.9 18.0 75 78 A T S > S- 0 0 57 -2,-2.0 4,-2.0 1,-0.1 5,-0.1 -0.923 74.5-124.9-135.8 159.9 28.1 1.3 14.6 76 79 A I H > S+ 0 0 8 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.904 114.8 55.8 -68.5 -41.3 25.9 -0.3 12.0 77 80 A D H > S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.826 107.5 50.5 -60.3 -30.8 28.2 -3.4 12.0 78 81 A Y H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 106.1 53.6 -73.1 -43.9 27.6 -3.6 15.8 79 82 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.868 105.3 57.0 -58.6 -35.0 23.9 -3.4 15.3 80 83 A V H X S+ 0 0 3 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.960 108.2 43.7 -60.2 -54.2 24.2 -6.3 12.9 81 84 A E H X S+ 0 0 55 -4,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.865 112.8 54.6 -60.2 -34.5 25.9 -8.6 15.5 82 85 A E H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.936 109.8 46.4 -62.9 -46.4 23.4 -7.4 18.0 83 86 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.938 114.1 46.9 -61.5 -49.6 20.5 -8.4 15.7 84 87 A E H X S+ 0 0 22 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.924 111.4 51.7 -58.7 -46.1 22.1 -11.8 15.0 85 88 A A H X S+ 0 0 26 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.862 113.7 44.9 -58.4 -37.2 22.8 -12.4 18.7 86 89 A L H X S+ 0 0 0 -4,-1.9 4,-1.2 2,-0.2 5,-0.3 0.887 110.8 53.0 -75.4 -40.2 19.1 -11.5 19.4 87 90 A R H X S+ 0 0 2 -4,-3.0 4,-1.7 1,-0.2 5,-0.3 0.822 117.2 38.1 -65.0 -32.5 17.8 -13.7 16.5 88 91 A S H X S+ 0 0 54 -4,-2.2 4,-0.8 3,-0.2 -1,-0.2 0.798 112.2 56.3 -87.5 -33.0 19.8 -16.7 17.8 89 92 A K H < S+ 0 0 93 -4,-1.8 -2,-0.2 -5,-0.3 -3,-0.2 0.709 122.3 28.4 -72.1 -18.6 19.2 -16.0 21.5 90 93 A L H < S+ 0 0 45 -4,-1.2 -2,-0.2 2,-0.1 -3,-0.2 0.781 139.9 16.0-109.5 -39.2 15.4 -16.1 20.8 91 94 A F H >< S- 0 0 25 -4,-1.7 3,-1.1 -5,-0.3 2,-0.7 0.473 82.8-158.9-115.0 -8.3 14.9 -18.4 17.8 92 95 A G T 3< S- 0 0 21 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.503 73.2 -5.7 71.1-109.9 18.2 -20.3 17.6 93 96 A N T 3 S+ 0 0 156 -2,-0.7 2,-0.4 2,-0.1 -1,-0.2 0.171 97.8 127.0-107.7 16.3 18.8 -21.7 14.2 94 97 A E < - 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