==== 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 13-OCT-04 1XQX . 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) . 12031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 75.3 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 . 14 4.8 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 . 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 . 38 13.1 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 3 1 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 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 0 243 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 118.7 -0.2 -10.1 24.5 2 5 A a - 0 0 27 17,-0.1 2,-0.5 1,-0.1 17,-0.2 -0.432 360.0 -95.7 -88.2 164.9 3.3 -10.8 23.2 3 6 A I E -A 18 0A 86 15,-2.2 15,-2.5 -2,-0.1 2,-0.4 -0.707 41.3-167.2 -84.5 124.4 6.2 -12.1 25.1 4 7 A E E +A 17 0A 112 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.913 20.7 137.5-114.6 139.4 8.5 -9.3 26.4 5 8 A N E -A 16 0A 85 11,-1.7 11,-2.1 -2,-0.4 2,-0.4 -0.978 47.7-101.8-167.0 170.7 12.0 -9.7 27.8 6 9 A Y E -A 15 0A 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.864 29.7-162.9-105.2 139.7 15.6 -8.5 27.9 7 10 A A E -A 14 0A 17 7,-2.4 7,-3.4 -2,-0.4 2,-0.9 -0.988 14.3-140.4-127.7 126.5 18.3 -10.3 25.9 8 11 A K E +A 13 0A 122 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.737 36.0 158.4 -86.2 106.4 22.0 -9.9 26.6 9 12 A V + 0 0 27 3,-1.7 2,-0.4 -2,-0.9 -1,-0.2 0.842 68.6 3.1 -91.5 -91.1 23.7 -9.8 23.1 10 13 A N S S- 0 0 67 1,-0.1 3,-0.1 2,-0.1 -1,-0.1 -0.221 130.5 -59.1 -95.1 44.2 27.1 -8.3 22.8 11 14 A G S S+ 0 0 49 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.370 118.2 87.8 98.3 -4.0 27.5 -7.5 26.5 12 15 A I S S- 0 0 17 -5,-0.1 -3,-1.7 55,-0.1 2,-0.7 -0.832 80.7-104.4-125.5 165.9 24.4 -5.3 26.7 13 16 A Y E -A 8 0A 100 -2,-0.3 54,-2.1 -5,-0.2 2,-0.5 -0.808 33.8-169.9 -95.5 113.1 20.7 -5.8 27.4 14 17 A I E -A 7 0A 0 -7,-3.4 -7,-2.4 -2,-0.7 2,-0.3 -0.890 15.6-136.3-105.5 124.7 18.5 -5.5 24.3 15 18 A Y E +A 6 0A 13 -2,-0.5 44,-2.2 44,-0.3 2,-0.3 -0.584 27.6 175.5 -79.4 136.8 14.7 -5.3 24.7 16 19 A Y E -AB 5 58A 18 -11,-2.1 -11,-1.7 -2,-0.3 2,-0.5 -0.988 21.5-154.4-141.9 151.0 12.6 -7.4 22.3 17 20 A K E -AB 4 57A 25 40,-2.6 40,-3.3 -2,-0.3 2,-0.6 -0.983 12.8-163.9-128.6 117.5 8.9 -8.2 21.9 18 21 A L E -AB 3 56A 15 -15,-2.5 -15,-2.2 -2,-0.5 2,-0.6 -0.901 7.7-177.2-109.2 116.8 7.9 -11.4 20.2 19 22 A a E + B 0 55A 7 36,-3.1 36,-2.5 -2,-0.6 2,-0.2 -0.942 21.6 162.0-111.8 112.9 4.4 -11.9 18.9 20 23 A K + 0 0 119 -2,-0.6 34,-0.1 34,-0.3 33,-0.1 -0.738 15.2 1.7-127.5 175.6 3.8 -15.4 17.4 21 24 A A + 0 0 41 -2,-0.2 30,-0.1 31,-0.2 31,-0.1 0.249 17.3 160.2 54.8 174.7 1.2 -17.9 16.4 22 25 A P S S- 0 0 95 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.524 115.5 -18.3 -79.0 151.8 -1.5 -19.2 15.9 23 26 A E S S- 0 0 165 1,-0.2 0, 0.0 -2,-0.1 0, 0.0 0.917 87.6-141.7 51.3 52.4 -0.2 -21.9 13.5 24 27 A E + 0 0 68 1,-0.2 29,-0.2 29,-0.1 -1,-0.2 -0.165 29.5 175.7 -47.5 121.7 3.0 -20.0 12.7 25 28 A K - 0 0 127 27,-3.7 2,-0.3 1,-0.3 28,-0.2 0.600 67.6 -6.0-101.8 -20.1 4.0 -20.3 9.1 26 29 A A E -c 53 0A 5 26,-1.3 28,-3.6 2,-0.0 2,-0.4 -0.986 62.2-118.7-168.9 162.2 7.0 -18.1 9.3 27 30 A K E -c 54 0A 19 -2,-0.3 70,-2.1 68,-0.3 2,-0.5 -0.872 20.4-160.5-110.6 143.1 9.0 -15.7 11.5 28 31 A L E -cd 55 97A 1 26,-3.0 28,-3.4 -2,-0.4 2,-0.3 -0.940 2.8-159.5-129.4 110.7 9.6 -12.0 10.8 29 32 A M E -cd 56 98A 0 68,-3.1 70,-3.0 -2,-0.5 2,-0.4 -0.666 18.2-156.6 -82.5 142.6 12.5 -10.0 12.3 30 33 A T E - d 0 99A 1 26,-1.6 2,-0.5 -2,-0.3 28,-0.2 -0.961 12.5-160.1-126.4 143.4 11.8 -6.3 12.2 31 34 A M E - d 0 100A 0 68,-2.4 70,-2.6 -2,-0.4 73,-0.1 -0.929 15.0-148.4-124.6 105.6 14.2 -3.4 12.2 32 35 A H - 0 0 1 -2,-0.5 7,-0.1 26,-0.5 4,-0.1 -0.120 20.8-118.5 -63.9 168.6 12.8 -0.0 13.2 33 36 A G > + 0 0 0 5,-0.3 4,-1.4 70,-0.2 3,-0.5 0.085 65.9 77.6 -94.1-155.5 14.2 3.2 11.7 34 37 A G T 4 S- 0 0 0 258,-0.6 2,-0.2 1,-0.3 -1,-0.1 -0.880 86.0-109.3 135.0-106.2 15.9 6.3 13.1 35 38 A P T 4 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 171,-0.3 0.564 117.6 22.8 -65.9 146.7 18.7 5.5 13.7 36 39 A G T 4 S+ 0 0 0 -3,-0.5 166,-0.3 -2,-0.2 28,-0.3 0.547 94.6 106.4 108.0 3.7 17.6 5.9 17.3 37 40 A M < - 0 0 3 -4,-1.4 27,-0.7 26,-0.1 2,-0.3 0.457 62.9-114.3 -84.9-129.8 13.8 5.5 17.2 38 41 A S > - 0 0 0 25,-0.1 3,-0.6 21,-0.1 -5,-0.3 -0.974 21.1 -99.8-164.8 169.4 12.1 2.3 18.5 39 42 A H G > S+ 0 0 0 -2,-0.3 3,-2.2 1,-0.2 4,-0.3 0.682 98.4 91.5 -69.5 -20.7 10.0 -0.8 17.5 40 43 A D G > S+ 0 0 6 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.847 81.2 50.4 -45.2 -50.4 6.9 1.0 18.7 41 44 A Y G < S+ 0 0 0 -3,-0.6 3,-0.3 147,-0.3 -1,-0.3 0.591 105.4 59.7 -70.0 -9.0 5.9 2.6 15.4 42 45 A L G X S+ 0 0 0 -3,-2.2 3,-1.8 1,-0.2 -1,-0.3 0.396 74.7 102.6 -94.7 1.5 6.2 -0.8 13.7 43 46 A L G X + 0 0 18 -3,-1.8 3,-2.2 -4,-0.3 -1,-0.2 0.725 61.7 73.6 -58.9 -24.4 3.5 -2.3 16.0 44 47 A S G > S+ 0 0 0 -3,-0.3 3,-1.8 1,-0.3 -1,-0.3 0.751 81.6 73.3 -62.6 -21.3 0.8 -2.2 13.3 45 48 A L G X S+ 0 0 0 -3,-1.8 3,-2.1 1,-0.3 -1,-0.3 0.592 71.3 88.9 -67.3 -8.5 2.6 -5.1 11.6 46 49 A R G X + 0 0 83 -3,-2.2 3,-1.8 1,-0.3 4,-0.3 0.722 67.0 79.8 -61.6 -18.4 1.2 -7.1 14.5 47 50 A D G X S+ 0 0 33 -3,-1.8 3,-0.6 1,-0.3 -1,-0.3 0.654 79.0 69.6 -64.2 -14.0 -1.8 -7.7 12.2 48 51 A M G X >S+ 0 0 0 -3,-2.1 5,-2.3 1,-0.2 3,-0.7 0.430 76.9 78.0 -85.7 0.5 0.2 -10.3 10.4 49 52 A T G X 5S+ 0 0 28 -3,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.806 90.6 55.5 -75.4 -29.6 0.1 -12.8 13.3 50 53 A K G < 5S+ 0 0 146 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.353 102.2 58.4 -83.1 6.3 -3.4 -13.6 12.4 51 54 A E G < 5S- 0 0 92 -3,-0.7 -1,-0.3 2,-0.2 -2,-0.2 0.171 129.9 -95.7-114.3 9.6 -2.0 -14.5 8.9 52 55 A G T < 5S+ 0 0 8 -3,-1.3 -27,-3.7 1,-0.2 -26,-1.3 0.569 84.4 134.1 86.4 10.3 0.3 -17.1 10.4 53 56 A I E < - c 0 26A 0 -5,-2.3 2,-0.6 -29,-0.2 -1,-0.2 -0.842 47.4-148.4-101.0 120.0 3.2 -14.7 10.6 54 57 A T E - c 0 27A 0 -28,-3.6 -26,-3.0 -2,-0.6 2,-0.5 -0.760 19.5-155.1 -85.2 119.0 5.3 -14.6 13.8 55 58 A V E -Bc 19 28A 0 -36,-2.5 -36,-3.1 -2,-0.6 2,-0.5 -0.843 8.6-161.8-104.5 130.0 6.6 -11.1 14.3 56 59 A L E -Bc 18 29A 0 -28,-3.4 -26,-1.6 -2,-0.5 2,-0.3 -0.932 10.4-177.3-111.9 119.6 9.7 -10.2 16.3 57 60 A F E +B 17 0A 0 -40,-3.3 -40,-2.6 -2,-0.5 2,-0.3 -0.783 7.1 167.1-110.4 154.8 10.2 -6.6 17.4 58 61 A Y E -B 16 0A 0 -2,-0.3 2,-0.6 -42,-0.3 -26,-0.5 -0.924 37.0-118.8-168.2 142.6 13.2 -5.2 19.3 59 62 A D - 0 0 0 -44,-2.2 -44,-0.3 -2,-0.3 3,-0.1 -0.759 38.2-132.7 -84.2 120.7 14.8 -1.9 20.3 60 63 A Q > - 0 0 2 -2,-0.6 3,-2.4 1,-0.2 6,-0.3 -0.158 50.3 -51.9 -66.3 170.1 18.3 -1.7 18.7 61 64 A F T 3 S+ 0 0 3 1,-0.3 7,-0.3 12,-0.1 -1,-0.2 -0.115 129.3 5.6 -46.3 133.0 21.3 -0.7 20.8 62 65 A G T 3 S+ 0 0 0 5,-2.1 139,-0.6 1,-0.2 138,-0.4 0.550 108.0 118.7 67.6 9.7 20.7 2.6 22.7 63 66 A C S X S- 0 0 2 -3,-2.4 3,-2.9 4,-0.3 2,-0.3 -0.810 76.6 -36.9-112.8 151.8 17.1 2.7 21.5 64 67 A G T 3 S- 0 0 7 -27,-0.7 -26,-0.1 -28,-0.3 -3,-0.0 -0.202 129.0 -11.1 47.4-102.8 13.8 2.7 23.4 65 68 A R T 3 S+ 0 0 62 -2,-0.3 -1,-0.3 -50,-0.1 2,-0.2 0.434 113.0 100.2-106.8 -5.2 14.2 0.3 26.3 66 69 A S S < S- 0 0 1 -3,-2.9 -52,-0.2 -6,-0.3 2,-0.1 -0.547 74.4-117.1 -82.9 148.7 17.5 -1.2 25.3 67 70 A E - 0 0 81 -54,-2.1 -5,-2.1 -2,-0.2 -4,-0.3 -0.425 27.7-117.9 -82.1 160.0 20.8 0.0 26.8 68 71 A E - 0 0 63 -7,-0.3 3,-0.1 -6,-0.2 -55,-0.1 -0.782 19.3-142.5-101.7 144.2 23.5 1.7 24.8 69 72 A P - 0 0 17 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.049 52.8 -47.9 -84.5-165.7 27.0 0.4 24.3 70 73 A D > - 0 0 101 1,-0.1 3,-2.9 2,-0.1 4,-0.0 -0.406 57.7-115.9 -62.9 142.2 30.2 2.5 24.0 71 74 A Q G > S+ 0 0 111 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.746 113.3 72.4 -52.8 -24.7 29.7 5.4 21.6 72 75 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.660 92.9 56.5 -66.5 -14.2 32.4 3.8 19.5 73 76 A K G < + 0 0 90 -3,-2.9 2,-1.7 1,-0.1 -1,-0.3 0.113 69.1 114.7-103.1 19.2 29.8 1.1 18.6 74 77 A F < + 0 0 4 -3,-1.7 2,-0.3 4,-0.1 -1,-0.1 -0.379 55.1 111.7 -86.2 60.4 27.2 3.6 17.2 75 78 A T S > S- 0 0 60 -2,-1.7 4,-1.7 1,-0.1 5,-0.1 -0.855 78.7-119.2-130.8 163.6 27.5 2.1 13.8 76 79 A I H > S+ 0 0 7 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.873 112.1 60.3 -67.9 -37.4 25.5 0.1 11.3 77 80 A D H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 107.7 44.7 -58.8 -39.8 28.1 -2.7 11.3 78 81 A Y H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.889 109.3 56.1 -70.6 -39.2 27.6 -3.2 15.0 79 82 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.845 107.4 51.3 -60.2 -31.7 23.8 -3.0 14.5 80 83 A V H X S+ 0 0 4 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.948 111.4 44.4 -69.8 -49.4 24.3 -5.8 12.0 81 84 A E H X S+ 0 0 59 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.832 112.8 53.0 -64.7 -32.3 26.2 -8.0 14.4 82 85 A E H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.925 109.0 50.4 -66.9 -43.3 23.7 -7.2 17.1 83 86 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.923 112.1 45.1 -60.4 -48.9 20.9 -8.3 14.9 84 87 A E H X S+ 0 0 22 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.934 111.3 53.4 -63.0 -46.3 22.5 -11.6 13.9 85 88 A A H X S+ 0 0 25 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.881 110.5 47.9 -56.1 -40.9 23.4 -12.3 17.6 86 89 A L H < S+ 0 0 3 -4,-2.1 -1,-0.2 2,-0.2 5,-0.2 0.916 111.1 49.7 -66.9 -45.2 19.8 -11.7 18.6 87 90 A R H >X>S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 3,-1.1 0.930 112.1 50.0 -58.0 -47.1 18.4 -14.0 15.8 88 91 A S H 3X5S+ 0 0 50 -4,-2.8 4,-2.5 1,-0.3 2,-0.4 0.968 111.6 43.5 -57.3 -61.5 20.8 -16.7 16.8 89 92 A K H 3<5S+ 0 0 182 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.1 0.027 122.4 39.9 -79.9 32.6 20.2 -16.9 20.5 90 93 A L H <45S+ 0 0 49 -3,-1.1 -1,-0.2 -2,-0.4 -2,-0.2 0.436 133.7 14.8-143.6 -33.5 16.4 -16.6 20.1 91 94 A F H ><5S- 0 0 24 -4,-2.5 3,-1.3 1,-0.3 2,-0.3 0.443 88.3-152.1-125.0 -9.1 15.6 -18.8 17.0 92 95 A G T 3<< - 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