==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-JUL-05 2CZT . COMPND 2 MOLECULE: PROSTAGLANDIN-H2 D-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR T.KUMASAKA,D.IRIKURA,H.AGO,K.ARITAKE,M.YAMAMOTO,T.INOUE,M.MI . 155 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 38.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 17 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 2 0 2 3 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 0 0 1 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 34 A F 0 0 91 0, 0.0 2,-0.8 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 113.5 14.4 24.6 -3.1 2 35 A Q >> - 0 0 126 1,-0.2 3,-1.0 67,-0.1 4,-0.5 -0.857 360.0-161.9 -99.8 101.4 17.8 25.7 -4.3 3 36 A Q G >4 S+ 0 0 55 -2,-0.8 3,-1.8 1,-0.3 4,-0.3 0.865 86.0 60.7 -53.4 -41.2 20.1 22.8 -3.6 4 37 A D G >4 S+ 0 0 128 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.872 99.3 56.0 -54.2 -40.4 23.3 24.9 -3.9 5 38 A K G <4 S+ 0 0 98 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.646 101.2 60.0 -66.1 -17.0 22.2 27.1 -1.0 6 39 A F G << S+ 0 0 21 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.405 82.4 107.3 -96.1 2.6 21.9 24.0 1.2 7 40 A L < + 0 0 43 -3,-1.3 2,-0.2 -4,-0.3 30,-0.2 -0.253 58.0 40.9 -69.7 162.5 25.6 23.0 0.9 8 41 A G E S-A 36 0A 28 28,-3.4 28,-2.6 2,-0.0 2,-0.4 -0.583 95.7 -1.4 99.7-157.8 28.0 23.5 3.7 9 42 A R E +A 35 0A 131 26,-0.2 2,-0.3 -2,-0.2 26,-0.2 -0.584 56.4 168.4 -87.4 127.3 27.9 23.0 7.4 10 43 A W E -A 34 0A 8 24,-2.9 24,-2.7 -2,-0.4 2,-0.4 -0.884 23.1-144.6-126.0 159.3 24.9 21.8 9.4 11 44 A Y E -AB 33 117A 2 106,-2.9 106,-2.7 -2,-0.3 2,-0.7 -0.994 20.5-129.9-122.6 130.4 24.2 20.6 13.0 12 45 A S E + B 0 116A 10 20,-2.7 20,-0.4 -2,-0.4 104,-0.3 -0.714 39.6 161.6 -78.3 119.1 21.6 17.9 13.6 13 46 A A E + 0 0 5 102,-3.5 134,-0.9 -2,-0.7 2,-0.3 0.631 53.2 35.9-115.8 -21.3 19.5 19.4 16.4 14 47 A G E -CB 146 115A 0 101,-1.9 101,-3.0 132,-0.2 2,-0.3 -0.998 52.4-179.9-140.8 144.8 16.3 17.5 16.4 15 48 A L E +CB 145 114A 19 130,-2.5 130,-1.7 -2,-0.3 2,-0.4 -0.957 1.3 177.5-144.9 124.2 15.1 13.9 15.8 16 49 A A E +CB 144 113A 0 97,-3.2 97,-3.8 -2,-0.3 2,-0.3 -0.976 21.9 142.9-132.0 122.9 11.6 12.4 15.9 17 50 A S E - B 0 112A 0 126,-1.0 95,-0.2 -2,-0.4 -2,-0.0 -0.913 47.5-154.1-150.5 174.2 10.9 8.8 15.2 18 51 A N + 0 0 57 93,-1.1 94,-0.1 -2,-0.3 -1,-0.1 0.160 57.3 128.0-134.7 10.4 9.1 5.5 15.7 19 52 A S > - 0 0 19 92,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.308 67.0-123.4 -68.5 153.9 11.8 3.2 14.4 20 53 A S T 4 S+ 0 0 96 2,-0.2 3,-0.3 1,-0.2 4,-0.3 0.971 111.9 53.3 -59.8 -53.3 13.0 0.3 16.5 21 54 A W T >> S+ 0 0 68 1,-0.3 4,-2.2 2,-0.2 3,-1.0 0.867 112.3 43.7 -48.5 -46.8 16.6 1.5 16.3 22 55 A F H 3> S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.832 100.9 69.5 -70.9 -33.1 15.6 4.9 17.6 23 56 A R H 3< S+ 0 0 94 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.447 117.7 21.3 -65.7 0.6 13.3 3.5 20.3 24 57 A E H X4 S+ 0 0 160 -3,-1.0 3,-0.7 -4,-0.3 4,-0.2 0.590 120.8 49.5-130.8 -57.5 16.5 2.3 22.0 25 58 A K H 3< S+ 0 0 68 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.330 85.4 105.2 -74.2 9.9 19.7 4.1 21.0 26 59 A K T >< S+ 0 0 63 -4,-0.7 3,-1.9 1,-0.2 -1,-0.2 0.956 73.5 47.6 -54.4 -60.9 17.7 7.3 21.6 27 60 A A T < S+ 0 0 102 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.766 108.7 59.0 -58.3 -22.2 19.3 8.4 25.0 28 61 A V T 3 S+ 0 0 68 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.548 83.3 102.2 -84.6 -9.7 22.7 7.8 23.5 29 62 A L < - 0 0 44 -3,-1.9 2,-0.2 -4,-0.4 23,-0.1 -0.617 46.0-175.3 -89.8 132.6 22.5 10.2 20.6 30 63 A Y - 0 0 99 21,-0.4 119,-0.2 -2,-0.4 117,-0.1 -0.723 40.9 -75.8-111.6 170.0 24.1 13.7 20.5 31 64 A M - 0 0 4 117,-2.9 20,-0.3 -2,-0.2 2,-0.3 -0.349 52.1-157.2 -58.6 135.8 24.1 16.5 18.0 32 65 A A - 0 0 13 -20,-0.4 -20,-2.7 18,-0.1 2,-0.5 -0.873 14.6-124.0-121.0 155.8 26.3 15.8 15.0 33 66 A K E -AD 11 49A 46 16,-2.0 16,-2.4 -2,-0.3 2,-0.5 -0.867 27.7-169.4 -99.3 130.8 28.0 18.0 12.5 34 67 A T E -AD 10 48A 1 -24,-2.7 -24,-2.9 -2,-0.5 2,-0.6 -0.983 9.5-158.6-127.0 121.0 27.1 17.3 8.9 35 68 A V E -AD 9 47A 67 12,-3.0 12,-2.7 -2,-0.5 2,-0.4 -0.905 13.7-154.7-100.6 126.4 28.9 18.8 6.0 36 69 A V E +AD 8 46A 12 -28,-2.6 -28,-3.4 -2,-0.6 10,-0.2 -0.869 25.2 151.0-104.9 133.3 26.9 18.8 2.8 37 70 A A E - D 0 45A 43 8,-1.6 8,-3.4 -2,-0.4 -33,-0.0 -0.930 50.6 -67.3-153.1 163.4 28.4 18.8 -0.7 38 71 A P E - D 0 44A 81 0, 0.0 6,-0.3 0, 0.0 2,-0.2 -0.155 43.2-143.5 -61.1 150.2 27.4 17.5 -4.1 39 72 A S > - 0 0 12 4,-2.1 3,-1.1 24,-0.1 6,-0.1 -0.542 29.9 -98.3-104.6 177.3 27.1 13.7 -4.9 40 73 A T T 3 S+ 0 0 136 1,-0.3 -1,-0.1 -2,-0.2 24,-0.0 0.913 119.4 46.0 -64.7 -46.4 28.0 11.9 -8.1 41 74 A E T 3 S- 0 0 134 1,-0.1 -1,-0.3 3,-0.1 3,-0.0 0.420 130.1 -87.0 -78.2 4.0 24.4 11.7 -9.5 42 75 A G S < S+ 0 0 43 -3,-1.1 -2,-0.1 1,-0.1 -1,-0.1 0.516 99.5 110.5 97.5 5.2 23.6 15.3 -8.7 43 76 A G S S- 0 0 0 22,-0.1 -4,-2.1 1,-0.1 2,-0.4 0.178 71.6 -77.4 -89.0-148.6 22.5 14.4 -5.2 44 77 A L E -DE 38 63A 11 19,-2.0 19,-3.0 -6,-0.3 2,-0.5 -0.965 21.7-150.8-125.5 134.7 24.0 15.2 -1.8 45 78 A N E -DE 37 62A 45 -8,-3.4 -8,-1.6 -2,-0.4 2,-0.7 -0.907 16.3-160.2 -95.8 124.5 26.9 13.7 0.1 46 79 A L E -DE 36 61A 13 15,-3.3 15,-2.5 -2,-0.5 2,-0.8 -0.903 7.1-173.0-110.7 107.2 26.4 14.0 3.9 47 80 A T E -DE 35 60A 56 -12,-2.7 -12,-3.0 -2,-0.7 2,-0.4 -0.873 11.3-173.4 -99.1 111.1 29.6 13.7 5.9 48 81 A S E -DE 34 59A 12 11,-2.6 11,-1.8 -2,-0.8 2,-0.5 -0.869 18.6-158.9-110.7 139.8 28.9 13.6 9.6 49 82 A T E +DE 33 58A 29 -16,-2.4 -16,-2.0 -2,-0.4 2,-0.3 -0.961 29.1 168.7-110.6 124.9 31.2 13.7 12.5 50 83 A F E - E 0 57A 46 7,-2.5 7,-3.2 -2,-0.5 2,-0.6 -0.952 38.9-109.1-140.8 158.7 29.6 12.3 15.7 51 84 A L + 0 0 22 -20,-0.3 2,-0.4 -2,-0.3 -21,-0.4 -0.769 38.6 168.4 -87.4 118.9 30.3 11.1 19.2 52 85 A R S S- 0 0 91 -2,-0.6 -23,-0.1 2,-0.5 -2,-0.0 -0.892 70.7 -18.7-136.8 107.7 29.9 7.4 19.6 53 86 A K 0 0 139 -2,-0.4 -1,-0.1 -25,-0.2 -25,-0.0 0.952 360.0 360.0 64.8 52.8 31.1 5.7 22.8 54 87 A N 0 0 147 -3,-0.0 -2,-0.5 99,-0.0 98,-0.0 -0.069 360.0 360.0 37.8 360.0 33.3 8.6 23.8 55 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 56 89 A a 0 0 63 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 0.000 360.0 360.0 360.0 103.6 34.3 10.1 17.9 57 90 A E E -E 50 0A 103 -7,-3.2 -7,-2.5 96,-0.2 2,-0.4 -0.900 360.0-146.1-142.9 166.2 33.4 8.8 14.4 58 91 A T E +E 49 0A 78 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.980 17.9 169.8-140.5 126.8 32.7 9.8 10.8 59 92 A K E -E 48 0A 123 -11,-1.8 -11,-2.6 -2,-0.4 2,-0.5 -0.984 21.5-142.5-134.6 152.3 30.3 8.4 8.2 60 93 A I E -E 47 0A 68 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.937 12.8-167.3-114.5 126.8 29.2 9.5 4.8 61 94 A M E -E 46 0A 57 -15,-2.5 -15,-3.3 -2,-0.5 2,-0.6 -0.932 13.1-143.0-111.8 134.9 25.6 9.0 3.6 62 95 A V E -E 45 0A 55 -2,-0.4 2,-0.9 -17,-0.2 13,-0.4 -0.879 7.1-159.5-101.4 115.7 24.7 9.5 -0.0 63 96 A L E -E 44 0A 15 -19,-3.0 -19,-2.0 -2,-0.6 11,-0.2 -0.816 15.6-151.0 -92.4 106.2 21.2 11.1 -0.7 64 97 A Q E -F 73 0A 81 9,-2.5 9,-2.4 -2,-0.9 -22,-0.0 -0.615 25.3-100.5 -81.5 139.7 20.3 10.1 -4.3 65 98 A P E -F 72 0A 58 0, 0.0 7,-0.2 0, 0.0 -22,-0.1 -0.244 29.8-157.6 -56.9 137.5 18.0 12.5 -6.3 66 99 A A - 0 0 49 5,-2.5 6,-0.2 2,-0.5 -2,-0.0 0.045 51.6 -82.1-113.3 22.4 14.4 11.3 -6.3 67 100 A G S S+ 0 0 82 4,-0.2 5,-0.1 1,-0.1 0, 0.0 0.315 107.5 58.1 102.4 -11.7 12.8 13.0 -9.3 68 101 A A S > S- 0 0 47 3,-0.4 3,-1.9 0, 0.0 -2,-0.5 -0.990 93.7 -88.6-148.5 150.4 12.1 16.4 -7.9 69 102 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -67,-0.1 -0.373 114.8 20.0 -61.3 130.5 14.1 19.2 -6.3 70 103 A G T 3 S+ 0 0 4 1,-0.2 17,-1.2 16,-0.1 2,-0.5 0.458 103.2 109.5 88.5 5.5 14.3 18.7 -2.5 71 104 A H E < + G 0 86A 87 -3,-1.9 -5,-2.5 15,-0.2 -3,-0.4 -0.952 40.4 158.7-118.8 130.4 13.4 15.0 -2.8 72 105 A Y E -FG 65 85A 12 13,-3.2 13,-2.5 -2,-0.5 2,-0.3 -0.868 29.0-137.0-141.2 171.3 15.9 12.2 -2.2 73 106 A T E -FG 64 84A 38 -9,-2.4 -9,-2.5 -2,-0.3 2,-0.3 -0.954 14.4-165.3-128.2 153.4 16.3 8.5 -1.4 74 107 A Y E - G 0 83A 35 9,-1.9 9,-2.9 -2,-0.3 -11,-0.1 -0.998 11.1-140.3-140.1 141.6 18.8 6.9 1.0 75 108 A S - 0 0 77 -13,-0.4 6,-0.3 -2,-0.3 -1,-0.2 0.626 60.9 -25.2 -74.3-133.8 19.8 3.2 1.3 76 109 A S + 0 0 63 1,-0.2 -1,-0.2 4,-0.1 4,-0.1 -0.738 60.4 168.3 -94.7 107.4 20.4 1.2 4.6 77 110 A P S S- 0 0 41 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.929 77.5 -26.7 -75.0 -96.2 21.5 3.4 7.5 78 111 A H S S+ 0 0 115 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.378 141.4 37.0-101.2 -4.4 21.4 1.7 10.9 79 112 A S S S- 0 0 40 2,-0.1 2,-0.2 -58,-0.0 0, 0.0 -0.365 97.7 -96.7-124.2-157.1 18.8 -0.7 9.5 80 113 A G S S+ 0 0 53 -2,-0.2 2,-0.3 -4,-0.1 -4,-0.1 -0.617 76.9 87.6-134.8 74.9 18.2 -2.3 6.2 81 114 A S - 0 0 18 -6,-0.3 2,-0.4 -2,-0.2 -2,-0.1 -0.931 69.7 -97.6-154.0 176.3 15.7 -0.3 4.1 82 115 A I - 0 0 101 -2,-0.3 21,-0.4 21,-0.2 2,-0.4 -0.858 32.1-149.7-108.9 145.7 15.3 2.6 1.7 83 116 A H E -G 74 0A 13 -9,-2.9 -9,-1.9 -2,-0.4 2,-0.7 -0.924 9.6-149.2-119.6 137.3 14.2 6.1 2.8 84 117 A S E -GH 73 101A 39 17,-2.8 17,-1.7 -2,-0.4 2,-0.4 -0.924 25.9-165.3-105.4 106.9 12.3 8.7 1.0 85 118 A V E +GH 72 100A 10 -13,-2.5 -13,-3.2 -2,-0.7 2,-0.3 -0.839 9.7 177.9-103.8 137.1 13.6 12.0 2.2 86 119 A S E -GH 71 99A 25 13,-2.4 13,-2.5 -2,-0.4 2,-0.8 -0.951 32.1-123.3-136.7 149.1 11.9 15.3 1.7 87 120 A V E - H 0 98A 39 -17,-1.2 11,-0.2 -2,-0.3 3,-0.2 -0.840 24.0-175.7 -92.7 110.1 12.5 18.9 2.7 88 121 A V E - 0 0 58 9,-2.9 2,-0.3 -2,-0.8 -1,-0.2 0.934 69.8 -23.8 -71.2 -44.2 9.4 20.0 4.6 89 122 A E E - H 0 97A 74 8,-1.0 8,-2.8 -3,-0.1 -1,-0.3 -0.937 68.6-178.8-166.0 141.2 10.5 23.6 5.0 90 123 A A E - H 0 96A 35 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.997 26.2-163.5-150.2 151.0 13.9 25.3 5.0 91 124 A N E >> - H 0 95A 65 4,-2.5 3,-3.3 -2,-0.3 4,-1.5 -0.941 26.0-147.8-124.4 104.7 15.7 28.6 5.4 92 125 A Y T 34 S+ 0 0 95 -2,-0.4 4,-0.1 1,-0.3 -1,-0.0 0.655 95.4 50.4 -51.5 -20.9 19.1 27.9 4.0 93 126 A D T 34 S+ 0 0 109 2,-0.1 -1,-0.3 -3,-0.0 -87,-0.0 0.472 127.8 15.5 -95.5 -3.8 20.7 30.4 6.4 94 127 A E T <4 S- 0 0 62 -3,-3.3 24,-2.5 1,-0.3 25,-0.5 0.633 116.1 -20.6-133.9 -56.0 19.0 29.0 9.6 95 128 A Y E < -HI 91 117A 16 -4,-1.5 -4,-2.5 22,-0.2 2,-0.3 -0.946 35.4-144.6-155.5 171.3 17.4 25.5 9.4 96 129 A A E -HI 90 116A 7 20,-2.0 20,-2.6 -2,-0.3 2,-0.6 -0.969 10.6-152.8-148.6 132.2 16.0 22.7 7.5 97 130 A L E -HI 89 115A 3 -8,-2.8 -9,-2.9 -2,-0.3 -8,-1.0 -0.929 21.5-170.1-104.1 110.1 13.1 20.4 8.5 98 131 A L E -HI 87 114A 23 16,-3.0 16,-2.0 -2,-0.6 2,-0.4 -0.768 12.0-158.4-104.1 151.8 13.4 17.0 6.8 99 132 A F E -HI 86 113A 24 -13,-2.5 -13,-2.4 -2,-0.3 2,-0.4 -0.997 8.6-172.3-128.4 122.5 10.9 14.1 6.7 100 133 A S E +HI 85 112A 13 12,-2.9 12,-2.6 -2,-0.4 2,-0.4 -0.964 6.1 178.0-115.4 133.5 12.1 10.6 6.0 101 134 A R E +HI 84 111A 140 -17,-1.7 -17,-2.8 -2,-0.4 2,-0.2 -0.984 9.4 148.4-135.4 145.1 9.6 7.7 5.4 102 135 A G - 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