==== 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 1XRL . 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) . 12163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 77.0 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 . 16 5.5 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 . 23 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 32.0 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 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 . 2 0 0 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 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 0 238 0, 0.0 19,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 163.5 -0.7 -9.5 23.9 2 5 A a - 0 0 18 17,-0.1 2,-0.6 15,-0.0 17,-0.2 -0.725 360.0-114.0-111.2 160.8 3.1 -9.8 23.5 3 6 A I E -A 18 0A 76 15,-2.8 15,-2.7 -2,-0.3 2,-0.4 -0.837 34.1-162.5 -95.9 118.4 5.8 -11.2 25.7 4 7 A E E +A 17 0A 114 -2,-0.6 2,-0.3 13,-0.2 13,-0.2 -0.809 15.5 162.7-104.5 142.8 8.2 -8.5 26.9 5 8 A N E -A 16 0A 73 11,-2.3 11,-1.7 -2,-0.4 2,-0.1 -0.919 36.7-143.6-148.3 173.0 11.7 -9.0 28.4 6 9 A Y E +A 15 0A 111 -2,-0.3 9,-0.2 9,-0.2 2,-0.1 -0.580 40.7 168.7-141.2 68.3 14.9 -7.2 29.2 7 10 A A E -A 14 0A 33 7,-0.9 7,-3.1 6,-0.1 2,-0.7 -0.423 38.1-111.0 -87.0 160.2 17.5 -9.8 28.4 8 11 A K E -A 13 0A 128 5,-0.3 5,-0.3 -2,-0.1 -1,-0.1 -0.806 35.6-176.7 -93.4 115.0 21.3 -9.6 28.1 9 12 A V - 0 0 25 3,-2.8 2,-2.7 -2,-0.7 -1,-0.1 0.370 64.4 -27.4 -82.6-138.5 22.6 -10.0 24.5 10 13 A N S S- 0 0 69 1,-0.2 -1,-0.1 72,-0.1 3,-0.1 -0.339 131.3 -36.0 -76.7 62.2 26.2 -10.0 23.6 11 14 A G S S+ 0 0 44 -2,-2.7 2,-0.3 1,-0.2 -1,-0.2 -0.044 123.3 70.9 117.6 -34.9 27.2 -7.8 26.6 12 15 A I S S- 0 0 10 55,-0.1 -3,-2.8 -5,-0.0 2,-0.6 -0.853 80.0-105.8-122.3 155.5 24.4 -5.4 27.1 13 16 A Y E -A 8 0A 102 -2,-0.3 54,-2.4 -5,-0.3 2,-0.4 -0.648 38.8-172.6 -80.3 118.0 20.8 -5.5 28.3 14 17 A I E -A 7 0A 1 -7,-3.1 -7,-0.9 -2,-0.6 2,-0.4 -0.921 17.8-136.6-114.4 135.3 18.3 -5.1 25.4 15 18 A Y E +A 6 0A 15 -2,-0.4 44,-2.4 44,-0.4 2,-0.3 -0.733 30.2 174.1 -87.8 132.6 14.6 -4.7 25.7 16 19 A Y E -AB 5 58A 20 -11,-1.7 -11,-2.3 -2,-0.4 2,-0.4 -0.969 22.8-154.7-139.4 156.8 12.5 -6.8 23.3 17 20 A K E -AB 4 57A 27 40,-2.9 40,-3.3 -2,-0.3 2,-0.6 -0.982 10.0-164.2-133.4 118.5 8.8 -7.6 22.6 18 21 A L E -AB 3 56A 14 -15,-2.7 -15,-2.8 -2,-0.4 2,-0.7 -0.918 5.5-175.6-111.1 116.0 7.8 -10.8 20.9 19 22 A a E + B 0 55A 4 36,-2.9 36,-2.8 -2,-0.6 2,-0.2 -0.919 22.4 165.7-110.0 105.0 4.2 -11.1 19.6 20 23 A K - 0 0 123 -2,-0.7 34,-0.1 -19,-0.3 33,-0.1 -0.736 13.7 -1.4-122.5 170.6 3.6 -14.6 18.2 21 24 A A + 0 0 43 -2,-0.2 2,-0.1 31,-0.1 30,-0.1 0.251 20.1 152.3 56.3 173.5 0.8 -17.0 17.1 22 25 A P S S- 0 0 96 0, 0.0 30,-0.2 0, 0.0 3,-0.2 0.571 112.0 -9.8 -80.3 164.5 -1.8 -18.1 16.4 23 26 A E S S- 0 0 167 1,-0.2 2,-0.3 -2,-0.1 0, 0.0 0.954 87.0-147.9 48.2 63.0 -1.0 -20.5 13.6 24 27 A E + 0 0 73 1,-0.2 29,-0.2 29,-0.1 -1,-0.2 -0.459 31.3 167.4 -65.8 124.9 2.6 -19.3 13.3 25 28 A K - 0 0 133 27,-3.8 2,-0.3 1,-0.4 28,-0.2 0.589 67.0 -7.6-108.2 -22.6 3.8 -19.7 9.7 26 29 A A E -c 53 0A 7 26,-1.4 28,-2.7 2,-0.0 2,-0.4 -0.984 61.6-118.5-168.7 161.6 6.9 -17.6 10.0 27 30 A K E -c 54 0A 21 68,-0.4 70,-2.9 -2,-0.3 2,-0.5 -0.925 22.0-162.3-112.7 135.8 8.9 -15.3 12.3 28 31 A L E -cd 55 97A 1 26,-3.1 28,-2.9 -2,-0.4 2,-0.4 -0.968 2.9-159.1-123.3 116.9 9.7 -11.7 11.4 29 32 A M E -cd 56 98A 0 68,-3.2 70,-2.6 -2,-0.5 2,-0.4 -0.752 14.7-155.8 -89.7 140.6 12.5 -9.7 13.1 30 33 A T E - d 0 99A 1 26,-1.5 2,-0.5 -2,-0.4 70,-0.2 -0.929 9.7-158.6-122.6 144.6 12.1 -5.9 12.8 31 34 A M E - d 0 100A 1 68,-1.8 70,-2.1 -2,-0.4 73,-0.1 -0.978 15.7-145.4-123.8 112.5 14.8 -3.1 13.1 32 35 A H - 0 0 0 -2,-0.5 7,-0.1 26,-0.5 4,-0.1 -0.201 19.3-127.6 -68.2 166.4 13.6 0.4 13.9 33 36 A G > + 0 0 0 5,-0.3 4,-1.3 70,-0.2 3,-0.4 0.036 62.5 82.6 -99.0-150.1 15.3 3.4 12.4 34 37 A G T 4 S- 0 0 0 258,-6.0 2,-0.2 1,-0.3 69,-0.1 -0.900 85.7-111.0 129.6-101.9 16.9 6.6 13.6 35 38 A P T 4 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 171,-0.2 0.581 114.7 28.0 -67.2 151.0 19.6 5.7 14.4 36 39 A G T 4 S+ 0 0 0 -3,-0.4 166,-0.3 -2,-0.2 163,-0.3 0.576 94.7 105.2 106.2 13.8 18.5 6.3 18.0 37 40 A M < - 0 0 6 -4,-1.3 27,-0.8 26,-0.1 2,-0.3 0.294 62.9-113.4 -95.4-134.3 14.7 5.9 17.9 38 41 A S > - 0 0 0 25,-0.2 3,-0.7 26,-0.1 -5,-0.3 -0.969 22.7-102.2-160.2 168.6 12.8 2.9 19.3 39 42 A H G > S+ 0 0 1 -2,-0.3 3,-2.5 1,-0.2 4,-0.3 0.696 97.6 93.4 -68.8 -22.7 10.6 -0.1 18.2 40 43 A D G > S+ 0 0 5 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.829 78.0 54.1 -40.1 -47.9 7.5 1.8 19.3 41 44 A Y G < S+ 0 0 0 -3,-0.7 3,-0.3 1,-0.3 -1,-0.3 0.573 102.8 58.3 -72.5 -4.5 6.8 3.3 15.9 42 45 A L G X S+ 0 0 0 -3,-2.5 3,-2.4 1,-0.2 -1,-0.3 0.360 72.2 105.1-100.5 2.8 6.8 -0.1 14.2 43 46 A L G X + 0 0 16 -3,-1.6 3,-2.0 -4,-0.3 4,-0.2 0.734 63.9 73.6 -57.2 -23.4 4.0 -1.5 16.4 44 47 A S G > S+ 0 0 0 -3,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.770 83.6 68.5 -63.1 -23.0 1.5 -1.1 13.6 45 48 A L G X S+ 0 0 0 -3,-2.4 3,-1.7 1,-0.3 -1,-0.3 0.620 75.2 87.5 -70.4 -11.0 3.2 -4.2 12.1 46 49 A R G X + 0 0 86 -3,-2.0 3,-2.1 1,-0.3 -1,-0.3 0.767 69.5 76.6 -58.3 -25.9 1.7 -6.2 15.0 47 50 A D G X S+ 0 0 38 -3,-1.4 3,-2.1 1,-0.3 -1,-0.3 0.825 78.2 72.3 -55.9 -32.9 -1.4 -6.6 12.8 48 51 A M G X >S+ 0 0 0 -3,-1.7 3,-2.3 1,-0.3 5,-1.8 0.676 75.4 81.2 -59.2 -16.4 0.5 -9.3 10.8 49 52 A T G X 5S+ 0 0 23 -3,-2.1 3,-1.0 1,-0.3 -1,-0.3 0.778 85.8 58.9 -60.2 -24.8 0.2 -11.6 13.8 50 53 A K G < 5S+ 0 0 151 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.435 99.8 58.5 -83.9 -0.0 -3.4 -12.4 12.6 51 54 A E G < 5S- 0 0 102 -3,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.134 128.8 -93.2-111.7 14.9 -1.8 -13.6 9.3 52 55 A G T < 5S+ 0 0 6 -3,-1.0 -27,-3.8 1,-0.2 -26,-1.4 0.596 86.6 132.1 83.4 11.8 0.3 -16.3 11.0 53 56 A I E < - c 0 26A 0 -5,-1.8 2,-0.4 -29,-0.2 -1,-0.2 -0.865 47.6-150.1-106.0 113.4 3.3 -14.0 11.3 54 57 A T E - c 0 27A 1 -28,-2.7 -26,-3.1 -2,-0.6 2,-0.5 -0.669 17.7-153.4 -77.9 129.2 5.1 -13.8 14.6 55 58 A V E -Bc 19 28A 0 -36,-2.8 -36,-2.9 -2,-0.4 2,-0.5 -0.932 7.6-160.2-113.8 125.0 6.7 -10.3 15.0 56 59 A L E -Bc 18 29A 1 -28,-2.9 -26,-1.5 -2,-0.5 2,-0.3 -0.895 11.3-174.2-103.4 126.4 9.8 -9.6 17.1 57 60 A F E +B 17 0A 0 -40,-3.3 -40,-2.9 -2,-0.5 2,-0.3 -0.866 8.3 167.4-116.2 149.4 10.3 -6.0 18.2 58 61 A Y E -B 16 0A 1 -2,-0.3 2,-0.7 -42,-0.3 -26,-0.5 -0.969 36.9-120.2-163.0 150.6 13.3 -4.6 20.1 59 62 A D - 0 0 0 -44,-2.4 -44,-0.4 -2,-0.3 3,-0.1 -0.835 38.6-132.4 -92.9 114.9 15.1 -1.4 21.1 60 63 A Q > - 0 0 3 -2,-0.7 3,-2.4 1,-0.2 6,-0.3 -0.029 48.3 -55.0 -59.5 169.2 18.6 -1.4 19.6 61 64 A F T 3 S+ 0 0 3 1,-0.3 7,-0.2 12,-0.1 -1,-0.2 -0.163 127.8 5.1 -49.9 137.6 21.6 -0.5 21.7 62 65 A G T 3 S+ 0 0 0 5,-2.4 139,-0.5 1,-0.2 138,-0.4 0.510 110.5 117.3 64.4 8.3 21.4 2.8 23.5 63 66 A C S X S- 0 0 1 -3,-2.4 3,-2.6 4,-0.3 -1,-0.2 -0.775 76.8 -35.9-109.7 150.0 17.8 3.1 22.2 64 67 A G T 3 S- 0 0 6 -27,-0.8 -26,-0.1 -2,-0.3 -3,-0.0 -0.177 127.8 -10.6 48.0-118.2 14.4 3.3 23.9 65 68 A R T 3 S+ 0 0 60 -50,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.428 111.8 102.8 -93.1 -4.1 14.5 1.0 27.0 66 69 A S S < S- 0 0 1 -3,-2.6 -52,-0.2 -6,-0.3 -6,-0.1 -0.472 76.8-103.7 -83.7 152.1 17.8 -0.7 26.2 67 70 A E - 0 0 69 -54,-2.4 -5,-2.4 -2,-0.2 -4,-0.3 -0.339 31.8-114.3 -75.7 156.1 21.1 0.2 27.9 68 71 A E - 0 0 60 -7,-0.2 3,-0.1 -6,-0.2 -1,-0.1 -0.798 28.1-152.1 -93.7 126.0 23.7 2.2 26.2 69 72 A P - 0 0 13 0, 0.0 -58,-0.0 0, 0.0 5,-0.0 -0.178 44.4 -55.9 -81.8-177.9 27.1 0.5 25.4 70 73 A D > - 0 0 103 1,-0.1 3,-1.9 2,-0.1 4,-0.0 -0.207 53.3-112.2 -58.4 150.5 30.5 2.1 25.2 71 74 A Q G > S+ 0 0 105 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.807 115.4 65.8 -54.9 -33.8 30.7 5.0 22.7 72 75 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.712 93.7 60.7 -64.4 -20.5 33.0 2.9 20.5 73 76 A K G < + 0 0 81 -3,-1.9 2,-1.8 1,-0.1 -1,-0.3 0.276 69.8 109.7 -91.3 11.0 30.2 0.5 19.9 74 77 A F < + 0 0 7 -3,-1.8 2,-0.3 4,-0.1 -1,-0.1 -0.452 56.3 109.9 -85.0 66.5 28.0 3.1 18.2 75 78 A T S > S- 0 0 57 -2,-1.8 4,-1.7 1,-0.1 5,-0.1 -0.931 78.2-119.0-138.2 160.7 28.3 1.6 14.7 76 79 A I H > S+ 0 0 11 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.900 114.4 58.2 -64.2 -42.3 26.2 -0.3 12.2 77 80 A D H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 106.7 47.2 -56.5 -41.6 28.6 -3.2 12.4 78 81 A Y H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 109.2 55.2 -67.5 -37.5 27.9 -3.5 16.1 79 82 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.889 106.0 51.7 -61.9 -38.9 24.2 -3.2 15.5 80 83 A V H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.942 110.4 47.1 -63.0 -48.9 24.4 -6.2 13.1 81 84 A E H X S+ 0 0 61 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.889 110.8 52.7 -59.9 -40.3 26.2 -8.4 15.6 82 85 A E H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.931 108.6 51.1 -59.6 -46.0 23.6 -7.4 18.2 83 86 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.894 110.9 46.8 -58.7 -45.5 20.8 -8.4 15.8 84 87 A E H X S+ 0 0 23 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.881 110.3 53.0 -66.0 -39.3 22.3 -11.9 15.2 85 88 A A H X S+ 0 0 25 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.900 111.5 46.6 -62.8 -41.1 22.9 -12.5 18.9 86 89 A L H < S+ 0 0 8 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.889 112.4 49.4 -68.0 -40.3 19.2 -11.7 19.6 87 90 A R H >X S+ 0 0 1 -4,-2.2 4,-2.9 -5,-0.2 3,-0.9 0.941 117.4 40.5 -64.2 -48.3 18.0 -13.9 16.8 88 91 A S H 3X S+ 0 0 42 -4,-2.7 4,-2.5 1,-0.2 2,-0.8 0.967 111.9 52.6 -65.3 -56.1 20.1 -16.8 17.8 89 92 A K H 3< S+ 0 0 182 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.1 0.071 124.7 30.3 -73.3 30.7 19.6 -16.5 21.6 90 93 A L H <4 S+ 0 0 51 -3,-0.9 -1,-0.2 -2,-0.8 -2,-0.2 0.371 133.4 23.6-153.0 -36.7 15.9 -16.5 21.0 91 94 A F H >< S- 0 0 10 -4,-2.9 3,-1.7 1,-0.3 2,-0.3 0.336 86.9-149.8-120.9 3.3 15.1 -18.5 17.8 92 95 A G T 3< - 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