==== 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 1XRQ . 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) . 11707.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 78.0 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 . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 32.6 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 2 0 1 1 3 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 0 138 0, 0.0 19,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 177.1 -0.5 -9.3 24.3 2 5 A a - 0 0 14 17,-0.1 2,-0.4 1,-0.1 17,-0.3 -0.575 360.0-113.2 -83.3 144.7 3.1 -9.4 23.2 3 6 A I E -A 18 0A 91 15,-2.2 15,-2.7 -2,-0.2 2,-0.3 -0.613 35.6-162.1 -79.2 130.7 5.8 -10.8 25.5 4 7 A E E +A 17 0A 115 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.798 15.7 159.9-112.7 155.6 8.2 -8.2 26.7 5 8 A N E -A 16 0A 73 11,-1.3 11,-2.0 -2,-0.3 2,-0.5 -0.978 37.8-139.0-169.4 158.1 11.7 -8.5 28.2 6 9 A Y E +A 15 0A 111 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.790 43.9 166.8-125.1 82.2 14.9 -6.8 28.9 7 10 A A E -A 14 0A 12 7,-1.5 7,-3.2 -2,-0.5 2,-0.5 -0.625 41.2-103.6-102.4 160.8 17.6 -9.4 28.2 8 11 A K E -A 13 0A 121 5,-0.3 2,-0.5 -2,-0.2 5,-0.3 -0.678 39.5-177.0 -82.9 121.9 21.3 -9.4 27.7 9 12 A V E > -A 12 0A 2 3,-3.2 3,-0.7 -2,-0.5 77,-0.1 -0.925 64.8 -28.4-130.0 111.3 22.3 -9.6 24.0 10 13 A N T 3 S- 0 0 84 -2,-0.5 2,-0.2 1,-0.3 -1,-0.1 0.784 130.7 -39.1 59.3 28.8 25.9 -9.8 22.8 11 14 A G T 3 S+ 0 0 43 1,-0.3 -1,-0.3 71,-0.1 2,-0.1 -0.481 124.5 61.0 125.8 -67.5 27.0 -7.8 25.9 12 15 A I E < S-A 9 0A 18 -3,-0.7 -3,-3.2 -2,-0.2 2,-0.6 -0.419 88.0 -91.4 -92.9 171.8 24.5 -5.1 26.8 13 16 A Y E -A 8 0A 101 -5,-0.3 54,-3.8 -2,-0.1 2,-0.4 -0.739 41.0-171.7 -89.5 123.5 20.9 -5.2 27.7 14 17 A I E -A 7 0A 1 -7,-3.2 -7,-1.5 -2,-0.6 2,-0.4 -0.931 15.3-139.6-116.5 133.9 18.4 -5.0 24.9 15 18 A Y E +A 6 0A 13 -2,-0.4 44,-2.0 44,-0.3 2,-0.3 -0.719 26.5 178.5 -90.0 140.0 14.6 -4.6 25.2 16 19 A Y E -AB 5 58A 19 -11,-2.0 -11,-1.3 -2,-0.4 2,-0.5 -0.984 24.1-148.8-142.5 154.2 12.4 -6.6 22.8 17 20 A K E -AB 4 57A 26 40,-3.5 40,-3.6 -2,-0.3 2,-0.7 -0.955 13.5-170.6-125.0 109.9 8.7 -7.1 22.1 18 21 A L E -AB 3 56A 19 -15,-2.7 -15,-2.2 -2,-0.5 2,-1.2 -0.843 2.8-170.6-105.8 100.8 7.7 -10.5 20.7 19 22 A a E - B 0 55A 4 36,-2.1 36,-1.4 -2,-0.7 -17,-0.1 -0.721 19.0-148.1 -89.4 93.4 4.1 -10.7 19.6 20 23 A K - 0 0 124 -2,-1.2 33,-0.1 -19,-0.2 34,-0.1 -0.328 13.6-123.8 -62.4 139.4 3.6 -14.4 18.8 21 24 A A > - 0 0 5 31,-0.1 3,-1.7 5,-0.1 33,-0.2 -0.735 15.8-125.2 -88.5 133.0 1.2 -15.1 16.0 22 25 A P T 3 S+ 0 0 122 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.899 106.7 7.4 -36.4 -72.3 -1.8 -17.4 16.9 23 26 A E T 3 S- 0 0 162 26,-0.3 -3,-0.0 -3,-0.1 27,-0.0 -0.577 96.8-165.1-113.8 66.6 -1.2 -19.9 14.1 24 27 A E < + 0 0 50 -3,-1.7 29,-0.2 -2,-0.4 28,-0.1 -0.188 25.1 179.3 -60.1 141.4 2.1 -18.4 13.0 25 28 A K S S+ 0 0 109 27,-4.0 2,-0.3 1,-0.4 28,-0.2 0.534 73.6 8.7-111.3 -22.9 3.5 -19.5 9.6 26 29 A A E -c 53 0A 4 26,-1.4 28,-2.6 264,-0.1 2,-0.5 -0.994 64.8-126.9-157.8 158.1 6.6 -17.3 9.9 27 30 A K E -c 54 0A 25 -2,-0.3 70,-2.1 68,-0.3 2,-0.5 -0.944 22.3-158.7-112.5 127.8 8.6 -15.0 12.3 28 31 A L E -cd 55 97A 1 26,-4.1 28,-3.7 -2,-0.5 2,-0.4 -0.913 1.3-156.6-110.0 127.7 9.5 -11.5 11.2 29 32 A M E -cd 56 98A 2 68,-3.5 70,-3.1 -2,-0.5 2,-0.4 -0.803 14.2-154.1 -99.9 140.8 12.3 -9.5 12.8 30 33 A T E - d 0 99A 1 26,-1.9 2,-0.5 -2,-0.4 70,-0.2 -0.909 13.4-163.4-122.4 149.2 12.2 -5.7 12.6 31 34 A M E - d 0 100A 0 68,-2.3 70,-2.3 -2,-0.4 77,-0.1 -0.954 17.3-146.0-129.0 110.4 14.8 -2.9 12.7 32 35 A H - 0 0 0 26,-0.5 4,-0.1 -2,-0.5 7,-0.1 -0.253 20.4-121.1 -68.6 162.9 13.7 0.6 13.4 33 36 A G >> + 0 0 0 5,-0.2 4,-1.0 70,-0.2 3,-0.7 0.231 67.8 73.1 -85.9-150.9 15.4 3.6 11.8 34 37 A G T 34 S- 0 0 0 1,-0.3 2,-0.1 2,-0.2 -1,-0.1 -0.914 89.2-108.8 124.2-103.2 17.2 6.6 13.1 35 38 A P T 34 S+ 0 0 0 0, 0.0 171,-0.3 0, 0.0 -1,-0.3 0.489 112.4 30.7 -72.8 147.8 19.7 5.5 14.0 36 39 A G T <4 S+ 0 0 0 -3,-0.7 166,-0.4 165,-0.2 163,-0.3 0.719 92.2 99.4 111.8 27.3 18.7 6.1 17.6 37 40 A M < - 0 0 13 -4,-1.0 27,-1.1 26,-0.1 2,-0.3 0.207 63.8-106.3-110.5-128.8 14.9 5.8 17.7 38 41 A S > - 0 0 0 25,-0.2 3,-0.7 26,-0.1 -5,-0.2 -0.978 22.9-102.4-161.7 170.9 12.8 2.8 18.8 39 42 A H G > S+ 0 0 0 -2,-0.3 3,-3.6 1,-0.2 4,-0.4 0.742 96.3 95.3 -70.6 -24.1 10.5 -0.0 17.8 40 43 A D G > S+ 0 0 5 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.778 79.5 51.3 -36.4 -45.9 7.5 2.1 18.9 41 44 A Y G < S+ 0 0 3 -3,-0.7 -1,-0.3 1,-0.2 3,-0.2 0.419 104.4 58.7 -81.0 6.0 6.8 3.5 15.4 42 45 A L G X S+ 0 0 0 -3,-3.6 3,-2.0 1,-0.1 -1,-0.2 0.363 71.1 104.6-110.3 2.1 6.8 0.1 13.9 43 46 A L G X + 0 0 25 -3,-1.2 3,-1.6 -4,-0.4 4,-0.2 0.644 63.5 75.6 -57.7 -16.2 4.0 -1.3 16.1 44 47 A S G > S+ 0 0 0 1,-0.3 3,-1.6 -3,-0.2 -1,-0.3 0.838 83.3 67.2 -66.9 -28.4 1.5 -1.0 13.2 45 48 A L G X S+ 0 0 0 -3,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.616 76.7 86.9 -65.6 -9.2 3.1 -4.1 11.7 46 49 A R G X S+ 0 0 103 -3,-1.6 3,-2.7 1,-0.3 -1,-0.3 0.842 70.1 75.0 -60.4 -30.2 1.7 -6.0 14.7 47 50 A D G X S+ 0 0 40 -3,-1.6 3,-2.5 1,-0.3 -1,-0.3 0.785 78.9 75.2 -51.6 -29.9 -1.5 -6.4 12.6 48 51 A M G X >S+ 0 0 0 -3,-1.8 5,-1.4 1,-0.3 3,-0.8 0.528 74.8 76.1 -64.4 -5.6 0.4 -9.0 10.7 49 52 A T G X 5S+ 0 0 23 -3,-2.7 3,-1.2 1,-0.2 -1,-0.3 0.717 86.4 63.4 -76.3 -19.0 0.0 -11.4 13.6 50 53 A K G < 5S+ 0 0 170 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.597 99.5 53.9 -76.0 -13.0 -3.6 -11.8 12.3 51 54 A E G < 5S- 0 0 93 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.077 131.0 -95.9-105.4 20.8 -2.0 -13.2 9.2 52 55 A G T < 5S+ 0 0 6 -3,-1.2 -27,-4.0 1,-0.2 -26,-1.4 0.849 83.5 135.7 68.8 35.0 -0.1 -15.8 11.2 53 56 A I E < - c 0 26A 0 -5,-1.4 2,-0.4 -29,-0.2 -1,-0.2 -0.953 46.8-147.1-120.5 115.7 3.1 -13.7 11.3 54 57 A T E - c 0 27A 1 -28,-2.6 -26,-4.1 -2,-0.5 2,-0.5 -0.658 16.8-153.3 -79.8 129.7 5.0 -13.3 14.6 55 58 A V E -Bc 19 28A 0 -36,-1.4 -36,-2.1 -2,-0.4 2,-0.7 -0.918 4.7-155.4-111.8 123.6 6.6 -9.9 14.8 56 59 A L E -Bc 18 29A 1 -28,-3.7 -26,-1.9 -2,-0.5 2,-0.3 -0.858 14.4-174.1 -98.7 112.4 9.8 -9.3 16.8 57 60 A F E +B 17 0A 0 -40,-3.6 -40,-3.5 -2,-0.7 2,-0.3 -0.768 11.9 160.5-100.8 148.2 10.2 -5.7 17.9 58 61 A Y E -B 16 0A 1 -2,-0.3 2,-0.5 -42,-0.3 -26,-0.5 -0.936 39.3-120.1-169.0 147.5 13.3 -4.4 19.7 59 62 A D - 0 0 0 -44,-2.0 -44,-0.3 -2,-0.3 3,-0.1 -0.796 37.0-131.2 -92.5 122.9 15.2 -1.3 20.5 60 63 A Q > - 0 0 1 -2,-0.5 3,-2.6 1,-0.2 6,-0.3 -0.131 50.1 -51.5 -67.9 169.6 18.8 -1.4 19.1 61 64 A F T 3 S+ 0 0 2 1,-0.3 7,-0.2 7,-0.1 -1,-0.2 -0.090 129.4 3.4 -44.8 134.2 21.9 -0.6 21.2 62 65 A G T 3 S+ 0 0 0 5,-3.3 139,-0.6 1,-0.2 2,-0.3 0.556 110.6 118.5 63.9 9.1 21.5 2.7 23.0 63 66 A C S X S- 0 0 0 -3,-2.6 3,-3.2 4,-0.3 -1,-0.2 -0.750 75.4 -34.2-108.9 155.3 18.0 3.1 21.7 64 67 A G T 3 S- 0 0 5 -27,-1.1 -26,-0.1 -2,-0.3 -3,-0.0 -0.118 128.2 -13.0 43.4-109.6 14.6 3.3 23.3 65 68 A R T 3 S+ 0 0 65 -50,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.266 112.3 106.9-104.5 7.4 14.6 1.2 26.4 66 69 A S S < S- 0 0 2 -3,-3.2 -52,-0.2 -6,-0.3 -6,-0.1 -0.552 76.4 -96.4 -91.3 155.5 17.8 -0.6 25.7 67 70 A E - 0 0 74 -54,-3.8 -5,-3.3 -2,-0.2 -4,-0.3 -0.265 34.9-121.4 -66.5 151.6 21.2 -0.2 27.3 68 71 A E - 0 0 67 -7,-0.2 3,-0.1 -6,-0.2 -1,-0.1 -0.842 27.3-149.6 -98.4 128.1 23.8 2.0 25.6 69 72 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.217 42.9 -56.6 -85.5-179.1 27.1 0.4 24.7 70 73 A D > - 0 0 100 1,-0.2 3,-4.1 3,-0.1 4,-0.2 -0.390 51.7-122.7 -60.6 128.1 30.6 1.8 24.5 71 74 A Q G > S+ 0 0 113 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.603 112.5 66.5 -49.2 -13.8 30.5 4.8 22.1 72 75 A S G 3 S+ 0 0 80 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.736 96.3 55.8 -78.6 -23.9 33.2 3.0 20.1 73 76 A K G < S+ 0 0 100 -3,-4.1 2,-2.8 1,-0.1 -1,-0.2 0.325 71.1 113.2 -90.4 6.3 30.6 0.3 19.3 74 77 A F < + 0 0 8 -3,-0.7 2,-0.3 -4,-0.2 -1,-0.1 -0.345 53.6 119.7 -75.9 61.2 28.2 2.9 17.8 75 78 A T S > S- 0 0 58 -2,-2.8 4,-1.4 1,-0.1 3,-0.4 -0.889 74.1-123.6-126.6 158.6 28.7 1.3 14.4 76 79 A I H > S+ 0 0 11 -2,-0.3 4,-2.2 1,-0.2 3,-0.5 0.931 112.3 58.6 -65.1 -44.5 26.4 -0.4 11.9 77 80 A D H > S+ 0 0 114 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.805 104.4 54.2 -55.1 -28.3 28.4 -3.6 12.0 78 81 A Y H > S+ 0 0 26 -3,-0.4 4,-2.6 2,-0.2 -1,-0.3 0.872 103.7 53.0 -74.1 -38.7 27.7 -3.7 15.7 79 82 A G H X S+ 0 0 0 -4,-1.4 4,-3.4 -3,-0.5 -2,-0.2 0.919 106.7 54.6 -61.3 -41.0 24.0 -3.5 15.1 80 83 A V H X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.928 110.0 45.0 -57.0 -49.8 24.3 -6.5 12.8 81 84 A E H X S+ 0 0 54 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.895 113.1 50.6 -63.1 -41.3 26.0 -8.5 15.4 82 85 A E H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.962 111.1 49.8 -58.7 -51.3 23.5 -7.4 18.0 83 86 A A H X S+ 0 0 0 -4,-3.4 4,-2.9 1,-0.2 -2,-0.2 0.928 113.1 44.7 -52.9 -53.4 20.7 -8.4 15.6 84 87 A E H X S+ 0 0 21 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.928 112.0 53.5 -59.0 -45.7 22.2 -11.9 14.9 85 88 A A H X S+ 0 0 25 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.920 112.2 44.6 -54.2 -47.4 22.8 -12.4 18.6 86 89 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.3 0.927 111.5 52.6 -64.8 -45.2 19.2 -11.6 19.4 87 90 A R H X S+ 0 0 1 -4,-2.9 4,-3.6 1,-0.2 5,-0.3 0.926 115.6 40.8 -56.3 -47.8 17.9 -13.7 16.5 88 91 A S H X S+ 0 0 47 -4,-2.9 4,-2.3 3,-0.2 -1,-0.2 0.903 111.4 56.1 -68.6 -42.3 19.9 -16.7 17.8 89 92 A K H < S+ 0 0 111 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.821 122.8 27.6 -60.7 -29.4 19.1 -16.0 21.4 90 93 A L H < S+ 0 0 44 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.779 140.2 18.3-102.7 -32.9 15.4 -16.1 20.6 91 94 A F H >< S- 0 0 24 -4,-3.6 3,-2.2 -5,-0.3 2,-1.0 0.269 80.9-155.8-124.1 9.7 15.1 -18.4 17.6 92 95 A G T 3< S- 0 0 27 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.295 76.7 -12.9 54.6 -93.3 18.4 -20.3 17.7 93 96 A N T 3 S+ 0 0 146 -2,-1.0 2,-0.3 -5,-0.1 -1,-0.3 0.063 96.1 128.8-129.3 24.8 18.9 -21.4 14.1 94 97 A E < - 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