==== 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 1MU0 . COMPND 2 MOLECULE: PROLINE IMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR P.GOETTIG,M.GROLL,J.-S.KIM,R.HUBER,H.BRANDSTETTER . 294 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.8 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 31.0 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 1 1 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 2 2 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 0 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 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 1 A M 0 0 140 0, 0.0 49,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-173.3 -7.6 -10.9 16.9 2 2 A D - 0 0 65 1,-0.1 3,-0.1 51,-0.0 48,-0.1 -0.134 360.0-170.5 -54.8 151.3 -4.7 -9.4 18.8 3 3 A Q - 0 0 120 1,-0.3 20,-0.1 21,-0.2 -1,-0.1 -0.090 40.8-105.9-138.6 36.8 -3.5 -11.3 21.9 4 4 A E - 0 0 170 18,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.149 40.0 -98.2 59.4 175.4 -1.0 -9.0 23.6 5 5 A a - 0 0 20 17,-0.1 2,-0.8 -3,-0.1 17,-0.2 -0.888 20.4-110.6-130.4 161.0 2.8 -9.6 23.4 6 6 A I E -A 21 0A 101 15,-3.0 15,-2.0 -2,-0.3 2,-0.3 -0.812 36.6-162.6 -94.6 107.7 5.5 -11.1 25.6 7 7 A E E +A 20 0A 115 -2,-0.8 2,-0.3 13,-0.2 13,-0.2 -0.692 16.6 161.6 -92.3 141.9 7.8 -8.3 26.9 8 8 A N E -A 19 0A 79 11,-2.3 11,-1.9 -2,-0.3 2,-0.1 -0.936 37.8-141.4-150.4 171.6 11.3 -8.9 28.3 9 9 A Y E +A 18 0A 109 -2,-0.3 9,-0.2 9,-0.2 2,-0.1 -0.578 39.6 173.2-138.5 68.9 14.6 -7.3 29.1 10 10 A A E -A 17 0A 32 7,-0.5 7,-2.7 -2,-0.1 2,-0.7 -0.342 36.2-109.9 -83.6 161.5 17.2 -9.9 28.2 11 11 A K E -A 16 0A 116 5,-0.2 5,-0.2 -2,-0.1 -1,-0.1 -0.801 37.0-175.8 -92.6 110.1 21.0 -9.8 28.0 12 12 A V - 0 0 24 3,-2.7 2,-2.7 -2,-0.7 73,-0.1 0.252 61.2 -35.6 -81.9-148.1 22.3 -9.9 24.5 13 13 A N S S- 0 0 69 1,-0.2 -1,-0.1 71,-0.1 3,-0.1 -0.390 129.4 -31.3 -75.5 68.8 26.0 -10.1 23.5 14 14 A G S S+ 0 0 36 -2,-2.7 2,-0.3 1,-0.2 -1,-0.2 -0.063 124.1 65.2 115.9 -36.0 27.0 -7.8 26.4 15 15 A I S S- 0 0 8 -5,-0.0 -3,-2.7 55,-0.0 2,-0.7 -0.823 80.0-103.4-124.6 163.6 24.2 -5.4 27.0 16 16 A Y E -A 11 0A 101 -2,-0.3 54,-1.7 -5,-0.2 2,-0.3 -0.743 40.5-174.2 -87.1 117.0 20.6 -5.4 28.2 17 17 A I E -A 10 0A 1 -7,-2.7 -7,-0.5 -2,-0.7 2,-0.4 -0.860 18.4-132.9-113.6 146.6 18.1 -5.0 25.3 18 18 A Y E +AB 9 62A 17 44,-0.5 44,-1.4 -2,-0.3 2,-0.3 -0.794 29.4 173.4 -98.2 137.0 14.4 -4.6 25.5 19 19 A Y E -AB 8 61A 23 -11,-1.9 -11,-2.3 -2,-0.4 2,-0.4 -0.983 22.5-160.4-143.7 155.8 12.1 -6.7 23.2 20 20 A K E -AB 7 60A 28 40,-3.0 40,-2.3 -2,-0.3 2,-0.4 -0.912 14.5-169.8-138.6 106.4 8.5 -7.4 22.6 21 21 A L E -AB 6 59A 11 -15,-2.0 -15,-3.0 -2,-0.4 2,-0.5 -0.816 5.7-172.2-102.1 137.7 7.5 -10.5 20.7 22 22 A a E + B 0 58A 6 36,-1.7 36,-1.7 -2,-0.4 2,-0.3 -0.962 17.6 171.6-129.2 112.0 3.9 -11.2 19.5 23 23 A K + 0 0 116 -2,-0.5 34,-0.1 34,-0.2 3,-0.1 -0.835 16.6 0.5-125.4 161.7 3.3 -14.7 18.0 24 24 A A + 0 0 42 -2,-0.3 -21,-0.2 1,-0.2 2,-0.1 0.188 21.0 150.7 62.1 171.5 0.4 -16.9 16.8 25 25 A P S S- 0 0 50 0, 0.0 30,-0.2 0, 0.0 -1,-0.2 0.519 115.5 -12.1 -76.3 156.7 -2.4 -17.9 16.1 26 26 A E S S- 0 0 161 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 0.919 88.7-152.2 52.0 50.5 -1.4 -20.3 13.3 27 27 A E + 0 0 71 1,-0.2 29,-0.2 29,-0.1 -1,-0.2 -0.273 29.7 164.9 -55.6 132.8 2.1 -19.0 13.1 28 28 A K + 0 0 134 27,-2.3 2,-0.3 1,-0.4 -1,-0.2 0.663 63.7 9.3-117.1 -39.8 3.6 -19.4 9.6 29 29 A A E -c 56 0A 6 26,-1.6 28,-2.4 2,-0.0 -1,-0.4 -0.990 63.0-132.1-146.4 152.2 6.6 -17.2 9.7 30 30 A K E -c 57 0A 22 68,-0.4 70,-2.6 -2,-0.3 2,-0.4 -0.833 22.6-165.5-104.5 142.6 8.7 -15.2 12.2 31 31 A L E -cd 58 100A 1 26,-2.2 28,-2.6 -2,-0.4 2,-0.4 -0.987 8.8-157.5-136.4 129.1 9.7 -11.5 11.5 32 32 A M E -cd 59 101A 4 68,-2.7 70,-2.5 -2,-0.4 2,-0.4 -0.817 14.2-154.3-101.3 141.8 12.2 -9.2 13.2 33 33 A T E -cd 60 102A 2 26,-2.2 28,-0.5 -2,-0.4 2,-0.5 -0.923 7.3-161.0-120.7 143.9 11.9 -5.5 12.9 34 34 A M E - d 0 103A 3 68,-2.3 70,-2.6 -2,-0.4 73,-0.2 -0.968 15.8-143.4-124.5 115.1 14.5 -2.7 13.1 35 35 A H - 0 0 2 -2,-0.5 7,-0.1 26,-0.4 4,-0.1 -0.153 18.0-123.3 -68.9 169.8 13.5 0.8 13.8 36 36 A G > + 0 0 0 5,-0.2 4,-0.6 70,-0.2 3,-0.3 0.385 66.3 76.5 -89.6-135.9 15.2 3.8 12.2 37 37 A G T 4 S- 0 0 0 258,-2.3 2,-0.2 1,-0.2 -1,-0.1 -0.929 85.8-111.1 110.6-112.9 16.9 6.8 13.7 38 38 A P T 4 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 171,-0.2 0.545 113.6 28.9 -63.1 158.7 19.6 6.0 14.7 39 39 A G T 4 S+ 0 0 1 -3,-0.3 163,-0.2 165,-0.2 166,-0.2 0.928 96.3 101.7 85.1 48.9 18.4 6.5 18.2 40 40 A M < - 0 0 8 -4,-0.6 27,-0.8 159,-0.1 2,-0.3 -0.268 59.7-109.5-131.0-140.9 14.7 5.8 18.1 41 41 A S > - 0 0 0 25,-0.1 3,-0.8 -2,-0.1 -5,-0.2 -0.995 24.3-103.6-161.4 164.1 12.5 2.9 19.1 42 42 A H G > S+ 0 0 1 -2,-0.3 3,-2.7 1,-0.2 4,-0.3 0.763 98.2 91.6 -59.2 -27.4 10.2 -0.0 18.1 43 43 A D G > S+ 0 0 7 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.819 80.1 50.0 -36.0 -57.7 7.3 2.2 19.1 44 44 A Y G < S+ 0 0 1 -3,-0.8 -1,-0.3 147,-0.4 3,-0.2 0.526 107.6 56.5 -68.5 -3.8 6.6 3.8 15.8 45 45 A L G X S+ 0 0 0 -3,-2.7 3,-1.9 -4,-0.2 -1,-0.3 0.304 71.8 107.3-106.5 6.9 6.6 0.5 14.0 46 46 A L G X + 0 0 15 -3,-1.9 3,-0.7 -4,-0.3 -1,-0.1 0.471 62.1 76.0 -65.0 -1.3 3.9 -1.0 16.2 47 47 A S G > S+ 0 0 0 1,-0.2 3,-1.6 -3,-0.2 -1,-0.3 0.777 82.0 67.3 -79.0 -26.6 1.4 -0.8 13.4 48 48 A L G X S+ 0 0 0 -3,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.541 77.6 88.5 -67.6 -6.2 3.1 -3.8 11.9 49 49 A R G X + 0 0 69 -3,-0.7 3,-1.4 1,-0.3 -1,-0.3 0.740 69.7 73.2 -64.5 -23.6 1.6 -5.6 14.9 50 50 A D G X S+ 0 0 33 -3,-1.6 3,-1.1 1,-0.3 -1,-0.3 0.655 76.6 79.0 -66.8 -16.2 -1.5 -6.3 12.9 51 51 A M G X >S+ 0 0 0 -3,-1.5 5,-2.3 1,-0.2 3,-1.0 0.552 71.8 80.6 -71.4 -6.0 0.3 -8.9 10.8 52 52 A T G X 5S+ 0 0 8 -3,-1.4 3,-1.4 1,-0.3 -1,-0.2 0.820 87.3 55.5 -69.7 -29.3 -0.1 -11.4 13.6 53 53 A K G < 5S+ 0 0 107 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.506 103.5 57.8 -79.4 -3.0 -3.7 -12.2 12.5 54 54 A E G < 5S- 0 0 100 -3,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.107 131.0 -96.1-108.7 16.1 -2.1 -12.9 9.2 55 55 A G T < 5S+ 0 0 8 -3,-1.4 -27,-2.3 1,-0.2 -26,-1.6 0.682 84.5 132.5 78.4 19.6 0.1 -15.6 10.7 56 56 A I E < - c 0 29A 1 -5,-2.3 2,-0.4 -29,-0.2 -1,-0.2 -0.913 44.1-153.6-111.5 123.3 3.1 -13.3 11.1 57 57 A T E - c 0 30A 0 -28,-2.4 -26,-2.2 -2,-0.5 2,-0.4 -0.750 15.9-155.5 -90.2 135.7 5.0 -13.1 14.4 58 58 A V E -Bc 22 31A 0 -36,-1.7 -36,-1.7 -2,-0.4 2,-0.7 -0.944 10.8-155.4-120.7 136.9 6.8 -9.8 14.9 59 59 A L E -Bc 21 32A 0 -28,-2.6 -26,-2.2 -2,-0.4 2,-0.5 -0.874 13.1-173.9-110.5 100.5 9.8 -9.0 17.0 60 60 A F E +Bc 20 33A 0 -40,-2.3 -40,-3.0 -2,-0.7 2,-0.3 -0.820 15.1 163.6 -93.7 126.1 10.0 -5.4 18.2 61 61 A Y E -B 19 0A 2 -28,-0.5 2,-0.5 -2,-0.5 -26,-0.4 -0.987 37.9-124.8-148.8 138.0 13.2 -4.4 20.0 62 62 A D E -B 18 0A 0 -44,-1.4 -44,-0.5 -2,-0.3 3,-0.1 -0.664 34.2-135.0 -80.0 124.7 15.0 -1.2 20.9 63 63 A Q > - 0 0 2 -2,-0.5 3,-2.2 1,-0.2 6,-0.3 -0.004 47.3 -48.4 -69.3-180.0 18.6 -1.3 19.6 64 64 A F T 3 S+ 0 0 2 1,-0.3 7,-0.2 12,-0.1 -1,-0.2 -0.223 128.5 2.8 -55.7 135.6 21.6 -0.2 21.6 65 65 A G T 3 S+ 0 0 0 5,-1.7 139,-0.5 1,-0.2 138,-0.4 0.548 111.5 119.1 65.4 7.2 21.3 3.1 23.4 66 66 A C S X S- 0 0 2 -3,-2.2 3,-3.1 4,-0.3 -1,-0.2 -0.742 75.3 -37.4-109.2 154.7 17.7 3.2 22.1 67 67 A G T 3 S- 0 0 6 -27,-0.8 -26,-0.1 -2,-0.3 -3,-0.0 -0.104 127.4 -10.0 42.4-108.4 14.3 3.4 23.8 68 68 A R T 3 S+ 0 0 66 -50,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.228 112.6 100.5-104.8 11.0 14.4 1.1 26.9 69 69 A S S < S- 0 0 3 -3,-3.1 -52,-0.2 -6,-0.3 2,-0.1 -0.723 79.2-100.8 -99.3 149.7 17.8 -0.5 26.2 70 70 A E - 0 0 73 -54,-1.7 -5,-1.7 -2,-0.3 -4,-0.3 -0.375 33.5-116.2 -70.7 144.4 21.0 0.5 27.9 71 71 A E - 0 0 57 -6,-0.2 3,-0.1 -7,-0.2 -1,-0.1 -0.666 31.9-150.0 -81.3 125.8 23.5 2.7 26.0 72 72 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.091 42.5 -49.6 -83.3-171.2 26.8 0.9 25.3 73 73 A D > - 0 0 99 1,-0.1 3,-2.5 2,-0.1 4,-0.0 -0.333 56.5-114.5 -61.1 139.8 30.3 2.4 25.0 74 74 A Q G > S+ 0 0 95 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.756 115.2 61.7 -46.4 -32.1 30.4 5.3 22.6 75 75 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.754 90.7 67.7 -70.1 -23.5 32.6 3.3 20.2 76 76 A K G < + 0 0 75 -3,-2.5 2,-1.3 1,-0.2 -1,-0.3 0.174 67.6 109.6 -82.0 18.2 29.9 0.8 19.7 77 77 A F < + 0 0 7 -3,-1.1 2,-0.3 4,-0.1 -1,-0.2 -0.474 54.9 107.8 -92.6 62.8 27.8 3.4 17.9 78 78 A T S > S- 0 0 62 -2,-1.3 4,-0.8 1,-0.1 3,-0.2 -0.872 77.2-121.2-133.5 166.1 28.2 1.7 14.5 79 79 A I H > S+ 0 0 8 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.752 110.8 62.8 -79.1 -25.4 26.0 -0.3 12.1 80 80 A D H > S+ 0 0 111 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.770 102.8 51.1 -68.9 -26.2 28.4 -3.3 12.3 81 81 A Y H > S+ 0 0 28 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.811 104.4 55.9 -79.7 -33.5 27.6 -3.5 16.0 82 82 A G H X S+ 0 0 0 -4,-0.8 4,-2.8 1,-0.2 -2,-0.2 0.878 105.2 53.5 -65.6 -35.5 23.8 -3.5 15.4 83 83 A V H X S+ 0 0 5 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.871 107.9 48.9 -66.1 -38.7 24.2 -6.5 13.1 84 84 A E H X S+ 0 0 64 -4,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.829 112.5 50.3 -69.3 -31.6 26.1 -8.4 15.8 85 85 A E H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.918 109.9 49.0 -71.4 -45.5 23.2 -7.5 18.1 86 86 A A H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.942 112.6 46.4 -60.1 -51.5 20.5 -8.6 15.7 87 87 A E H X S+ 0 0 26 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.891 111.2 52.5 -59.8 -41.7 22.1 -12.0 15.1 88 88 A A H X S+ 0 0 26 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.889 112.8 45.7 -62.1 -39.2 22.7 -12.6 18.8 89 89 A L H < S+ 0 0 11 -4,-2.0 5,-0.4 2,-0.2 -2,-0.2 0.948 110.9 50.3 -69.1 -50.9 19.0 -11.8 19.5 90 90 A R H X S+ 0 0 0 -4,-2.8 4,-2.6 3,-0.2 3,-0.5 0.866 118.0 41.6 -55.3 -39.0 17.6 -14.0 16.7 91 91 A S H X S+ 0 0 41 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.969 111.5 49.1 -75.2 -58.2 19.8 -16.9 17.8 92 92 A K H < S+ 0 0 192 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.184 127.7 31.0 -71.1 23.0 19.5 -16.7 21.6 93 93 A L H 4 S+ 0 0 56 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.465 132.8 23.7-142.0 -51.3 15.7 -16.5 21.0 94 94 A F H >< S- 0 0 15 -4,-2.6 3,-0.9 -5,-0.4 2,-0.6 0.462 90.3-147.4-102.5 -6.0 14.7 -18.4 17.9 95 95 A G T 3< - 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