==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-JAN-13 4IMO . COMPND 2 MOLECULE: LIPOCALIN-TYPE PROSTAGLANDIN-D SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.M.LIM,D.CHEN,H.TEO,A.ROOS,T.NYMAN,L.TRESAUGUES,K.PERVUSHIN . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 75.5 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 . 64 41.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 16 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.0 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 . 2 1.3 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 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 . 0 1 1 0 1 3 1 1 1 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 28 A V 0 0 150 0, 0.0 104,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 8.1 12.6 26.2 -1.8 2 29 A S - 0 0 84 90,-0.1 2,-0.4 1,-0.0 93,-0.0 -0.296 360.0-157.2 -65.5 141.3 13.8 22.5 -1.9 3 30 A V - 0 0 37 89,-0.1 91,-0.3 74,-0.0 3,-0.1 -0.961 36.5 -90.3-115.5 138.7 13.5 20.3 1.2 4 31 A Q > - 0 0 38 89,-3.2 3,-0.9 -2,-0.4 91,-0.1 -0.180 52.7-112.0 -41.8 123.9 15.7 17.3 1.7 5 32 A P T 3 S+ 0 0 95 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.398 93.6 5.0 -65.9 144.4 13.8 14.3 0.2 6 33 A N T 3 S- 0 0 137 1,-0.2 70,-0.1 -3,-0.1 -2,-0.1 0.876 91.6-157.6 54.9 38.8 12.5 11.6 2.5 7 34 A F < - 0 0 7 -3,-0.9 2,-0.7 68,-0.3 -1,-0.2 -0.269 10.3-155.4 -56.2 132.5 13.6 13.8 5.5 8 35 A Q >> - 0 0 62 1,-0.2 3,-0.9 -3,-0.1 4,-0.7 -0.870 6.9-170.6-113.6 94.8 14.1 11.8 8.6 9 36 A Q H >> S+ 0 0 46 -2,-0.7 3,-1.2 1,-0.3 4,-0.5 0.864 83.3 59.2 -59.1 -37.3 13.7 14.2 11.5 10 37 A D H >4 S+ 0 0 112 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.839 104.3 50.3 -59.9 -35.4 14.9 11.6 14.1 11 38 A K H <4 S+ 0 0 104 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.611 103.6 61.1 -77.1 -13.4 18.3 11.3 12.3 12 39 A F H << S+ 0 0 6 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.522 86.4 106.1 -87.9 -9.1 18.6 15.1 12.3 13 40 A L << + 0 0 49 -3,-0.7 2,-0.2 -4,-0.5 30,-0.2 -0.188 56.1 37.1 -71.1 160.6 18.6 15.3 16.1 14 41 A G E S-A 42 0A 28 28,-2.8 28,-2.6 2,-0.0 2,-0.4 -0.637 93.8 -2.1 109.3-153.6 21.5 15.9 18.4 15 42 A R E +A 41 0A 149 -2,-0.2 2,-0.3 26,-0.2 26,-0.2 -0.590 57.6 165.3 -89.9 124.9 24.6 18.1 18.4 16 43 A W E -A 40 0A 0 24,-2.6 24,-3.2 -2,-0.4 2,-0.4 -0.922 27.0-135.1-127.6 162.5 25.5 20.3 15.5 17 44 A F E -AB 39 123A 14 106,-2.5 106,-2.1 -2,-0.3 2,-1.1 -0.977 17.8-129.8-119.6 127.5 27.9 23.2 15.0 18 45 A S E +AB 38 122A 19 20,-3.0 20,-0.6 -2,-0.4 104,-0.2 -0.664 40.8 165.1 -72.8 103.8 26.9 26.4 13.2 19 46 A A E + 0 0 1 102,-2.4 134,-2.2 -2,-1.1 2,-0.3 0.600 52.9 3.0-104.5 -16.8 29.9 26.5 10.8 20 47 A G E -CB 152 121A 0 101,-1.2 101,-2.6 132,-0.3 2,-0.3 -0.985 54.5-177.3-162.7 158.6 28.9 29.0 8.1 21 48 A L E -CB 151 120A 26 130,-2.5 130,-3.4 -2,-0.3 2,-0.3 -0.990 9.3-165.5-152.5 162.2 26.3 31.4 7.1 22 49 A A E +CB 150 119A 0 97,-2.0 97,-2.4 -2,-0.3 2,-0.3 -0.981 20.2 166.9-144.2 137.6 25.4 33.9 4.3 23 50 A S E - B 0 118A 4 126,-0.8 95,-0.2 -2,-0.3 6,-0.1 -0.972 44.3-131.4-146.1 163.8 22.7 36.5 4.5 24 51 A N + 0 0 49 93,-1.4 2,-0.5 -2,-0.3 94,-0.1 0.198 69.5 123.1 -93.8 9.3 21.4 39.6 2.8 25 52 A S >> - 0 0 39 92,-0.3 4,-1.6 1,-0.2 3,-1.4 -0.639 60.4-146.8 -73.9 119.5 21.4 41.5 6.1 26 53 A S H 3> S+ 0 0 76 -2,-0.5 4,-1.3 1,-0.3 5,-0.2 0.931 99.9 66.6 -48.7 -44.8 23.5 44.6 5.8 27 54 A W H 3> S+ 0 0 136 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.774 101.0 46.1 -45.5 -38.8 24.4 43.9 9.5 28 55 A L H <4 S+ 0 0 5 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.949 103.7 59.9 -71.9 -51.1 26.2 40.7 8.5 29 56 A R H < S+ 0 0 143 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.717 122.6 27.8 -49.5 -22.9 28.1 42.3 5.6 30 57 A E H >< S+ 0 0 134 -4,-1.3 2,-1.6 -5,-0.2 3,-0.6 0.833 123.0 45.8 -98.4 -64.4 29.5 44.6 8.4 31 58 A K T 3< S+ 0 0 109 -4,-3.0 -1,-0.1 1,-0.2 -2,-0.1 -0.497 77.4 102.7 -89.7 67.8 29.4 42.5 11.7 32 59 A K T > + 0 0 67 -2,-1.6 3,-1.6 -3,-0.2 -1,-0.2 0.660 66.7 69.4-112.3 -33.2 30.9 39.2 10.5 33 60 A A T < S+ 0 0 104 -3,-0.6 -2,-0.1 1,-0.2 -5,-0.0 0.740 100.9 51.9 -49.4 -29.5 34.4 39.6 12.0 34 61 A A T 3 S+ 0 0 57 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 0.565 87.7 103.8 -88.8 -9.9 32.8 39.3 15.4 35 62 A L < - 0 0 39 -3,-1.6 2,-0.3 3,-0.0 -3,-0.0 -0.537 48.2-171.9 -85.6 139.9 30.8 36.0 14.8 36 63 A S - 0 0 75 -2,-0.2 119,-0.2 117,-0.2 2,-0.2 -0.830 35.1 -86.3-124.3 159.3 32.0 32.6 16.1 37 64 A M - 0 0 25 117,-2.8 2,-0.3 -2,-0.3 -18,-0.1 -0.499 47.3-160.8 -63.0 135.9 31.0 29.0 15.7 38 65 A C E -A 18 0A 39 -20,-0.6 -20,-3.0 -2,-0.2 2,-0.3 -0.888 16.2-122.3-116.2 150.3 28.1 28.1 18.0 39 66 A K E -AD 17 55A 84 16,-0.8 16,-2.1 -2,-0.3 2,-0.4 -0.726 27.1-167.5 -87.5 140.2 26.9 24.7 19.2 40 67 A S E -AD 16 54A 3 -24,-3.2 -24,-2.6 -2,-0.3 2,-0.5 -0.991 7.2-157.4-132.0 125.2 23.3 23.9 18.5 41 68 A V E -AD 15 53A 57 12,-3.2 12,-3.0 -2,-0.4 2,-0.5 -0.901 8.6-155.6-106.3 126.4 21.4 21.0 20.0 42 69 A V E +AD 14 52A 3 -28,-2.6 -28,-2.8 -2,-0.5 10,-0.2 -0.900 21.5 162.7-105.7 123.6 18.3 19.8 18.1 43 70 A A E - D 0 51A 42 8,-2.3 8,-3.3 -2,-0.5 2,-0.1 -0.942 43.3 -92.5-136.7 153.4 15.6 17.9 20.0 44 71 A P E - D 0 50A 79 0, 0.0 6,-0.3 0, 0.0 2,-0.2 -0.432 39.4-140.8 -69.1 144.5 12.0 17.2 19.2 45 72 A A > - 0 0 13 4,-2.4 3,-1.9 24,-0.2 6,-0.0 -0.619 25.5-105.4-100.1 162.8 9.3 19.7 20.4 46 73 A T T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.816 118.7 56.8 -53.9 -36.6 5.9 18.9 21.9 47 74 A D T 3 S- 0 0 61 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.376 124.0 -98.4 -79.2 1.9 4.2 20.0 18.6 48 75 A G S < S+ 0 0 44 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.322 97.8 93.0 94.4 -9.1 6.2 17.5 16.4 49 76 A G S S- 0 0 0 22,-0.1 -4,-2.4 1,-0.1 2,-0.4 0.191 78.1 -79.1 -88.3-144.9 8.7 20.1 15.3 50 77 A L E -DE 44 69A 2 19,-2.4 19,-3.2 -6,-0.3 2,-0.5 -0.957 15.0-145.7-131.9 140.4 12.1 20.9 16.8 51 78 A N E -DE 43 68A 50 -8,-3.3 -8,-2.3 -2,-0.4 2,-0.6 -0.947 18.5-160.0 -97.0 125.5 13.7 22.8 19.7 52 79 A L E -DE 42 67A 17 15,-2.7 15,-2.2 -2,-0.5 2,-0.6 -0.918 5.5-168.4-105.5 112.8 17.1 24.3 18.7 53 80 A T E -DE 41 66A 41 -12,-3.0 -12,-3.2 -2,-0.6 2,-0.4 -0.916 9.0-173.7-107.8 112.2 19.2 25.1 21.8 54 81 A S E -DE 40 65A 24 11,-2.8 11,-2.9 -2,-0.6 2,-0.3 -0.858 5.8-163.3-109.0 144.2 22.2 27.2 20.9 55 82 A T E +DE 39 64A 25 -16,-2.1 -16,-0.8 -2,-0.4 2,-0.3 -0.926 9.9 173.5-124.8 146.9 25.1 28.2 23.2 56 83 A F E - E 0 63A 65 7,-1.6 7,-2.6 -2,-0.3 2,-0.4 -0.979 31.2-109.5-145.2 157.2 27.7 30.9 22.9 57 84 A L E + E 0 62A 133 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.707 29.4 175.7 -90.7 134.3 30.5 32.3 25.2 58 85 A R E > - E 0 61A 127 3,-3.1 3,-2.4 -2,-0.4 2,-0.2 -0.967 65.5 -49.6-132.3 125.0 30.3 35.8 26.7 59 86 A K T 3 S- 0 0 174 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.350 125.5 -16.5 49.2-111.9 33.0 36.7 29.1 60 87 A N T 3 S+ 0 0 151 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.201 124.4 76.4-104.4 13.3 33.3 33.8 31.6 61 88 A Q E < -E 58 0A 106 -3,-2.4 -3,-3.1 2,-0.0 2,-0.7 -0.946 67.0-135.7-139.1 150.1 29.9 32.2 30.8 62 89 A C E -E 57 0A 79 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.893 28.6-152.6-105.8 108.1 28.2 30.1 28.2 63 90 A E E -E 56 0A 38 -7,-2.6 -7,-1.6 -2,-0.7 2,-0.4 -0.573 3.8-147.2 -84.3 150.5 24.7 31.5 27.4 64 91 A T E -E 55 0A 74 -9,-0.2 2,-0.4 -2,-0.2 -9,-0.2 -0.945 15.4-179.5-121.0 134.0 21.9 29.2 26.2 65 92 A R E -E 54 0A 120 -11,-2.9 -11,-2.8 -2,-0.4 2,-0.4 -0.988 10.6-155.1-130.0 145.1 19.1 30.2 23.8 66 93 A T E -E 53 0A 82 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.948 6.0-170.4-122.8 138.0 16.2 28.1 22.5 67 94 A M E -E 52 0A 57 -15,-2.2 -15,-2.7 -2,-0.4 2,-0.6 -0.998 16.7-140.7-125.3 129.8 14.2 28.5 19.3 68 95 A L E -E 51 0A 66 -2,-0.4 2,-0.8 -17,-0.2 13,-0.4 -0.820 11.1-162.7 -92.4 121.3 11.0 26.6 18.5 69 96 A L E -E 50 0A 10 -19,-3.2 -19,-2.4 -2,-0.6 11,-0.2 -0.919 13.1-154.1-103.5 106.3 10.8 25.5 14.9 70 97 A Q E -F 79 0A 91 9,-2.8 9,-2.6 -2,-0.8 -22,-0.1 -0.587 26.5 -98.5 -81.1 145.3 7.2 24.6 14.3 71 98 A P E -F 78 0A 60 0, 0.0 7,-0.3 0, 0.0 -22,-0.1 -0.325 28.5-159.5 -60.2 138.6 6.3 22.1 11.6 72 99 A A - 0 0 49 5,-2.7 6,-0.2 2,-0.5 3,-0.1 0.107 50.8 -87.4-112.1 25.5 5.3 23.8 8.4 73 100 A G S S+ 0 0 82 4,-0.3 2,-0.3 1,-0.1 5,-0.1 0.536 106.6 68.3 90.0 1.4 3.4 20.9 6.7 74 101 A S S > S- 0 0 64 3,-0.4 3,-2.3 0, 0.0 -2,-0.5 -0.948 94.6 -98.5-141.9 146.9 6.1 19.1 4.8 75 102 A L T 3 S+ 0 0 132 -2,-0.3 -68,-0.3 1,-0.3 3,-0.1 -0.373 111.5 24.4 -66.2 126.7 8.8 17.1 6.6 76 103 A G T 3 S+ 0 0 1 1,-0.3 17,-2.9 -2,-0.1 2,-0.4 0.287 101.1 103.8 100.6 -6.2 12.0 19.2 6.8 77 104 A S E < + G 0 92A 18 -3,-2.3 -5,-2.7 15,-0.2 -3,-0.4 -0.929 46.1 169.4-113.9 133.6 10.1 22.5 6.6 78 105 A Y E -FG 71 91A 5 13,-2.9 13,-2.5 -2,-0.4 2,-0.4 -0.836 26.3-137.2-138.6 162.2 9.5 24.7 9.7 79 106 A S E -FG 70 90A 35 -9,-2.6 -9,-2.8 -2,-0.3 2,-0.4 -0.996 12.9-163.6-127.5 142.1 8.4 28.0 10.8 80 107 A Y E - G 0 89A 54 9,-2.6 9,-2.3 -2,-0.4 2,-0.5 -0.987 6.2-154.3-123.7 128.2 10.0 30.2 13.5 81 108 A R E - G 0 88A 121 -13,-0.4 7,-0.2 -2,-0.4 -13,-0.2 -0.891 4.2-162.9-105.1 122.5 8.3 33.2 15.1 82 109 A S E >> - G 0 87A 9 5,-3.0 5,-1.5 -2,-0.5 4,-0.7 -0.903 6.4-173.8-103.0 102.8 10.5 36.0 16.6 83 110 A P T >45S+ 0 0 96 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.932 85.1 56.1 -61.6 -38.0 8.5 38.2 19.0 84 111 A H T 345S+ 0 0 182 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.836 116.4 35.2 -62.8 -32.7 11.5 40.6 19.3 85 112 A W T 345S- 0 0 188 -3,-0.2 28,-0.3 2,-0.2 -1,-0.3 0.341 102.8-129.6-102.5 3.2 11.6 41.2 15.6 86 113 A G T <<5S+ 0 0 33 -3,-1.0 2,-0.3 -4,-0.7 -2,-0.1 0.778 70.0 112.4 55.1 34.0 7.8 41.0 15.0 87 114 A S E < -G 82 0A 2 -5,-1.5 -5,-3.0 24,-0.2 2,-0.3 -0.886 58.7-142.0-139.7 157.2 8.4 38.5 12.2 88 115 A T E -GH 81 110A 25 22,-2.1 21,-3.6 -2,-0.3 22,-1.8 -0.943 20.3-162.2-121.8 144.7 7.9 34.9 11.1 89 116 A Y E -GH 80 108A 28 -9,-2.3 -9,-2.6 -2,-0.3 2,-0.4 -0.969 17.2-132.0-131.5 141.6 10.5 33.0 9.1 90 117 A S E -GH 79 107A 29 17,-3.3 17,-2.5 -2,-0.4 2,-0.4 -0.800 24.3-167.8 -89.3 132.5 10.4 29.8 7.0 91 118 A V E -GH 78 106A 11 -13,-2.5 -13,-2.9 -2,-0.4 2,-0.4 -0.996 5.9-175.5-124.4 126.6 13.3 27.4 7.8 92 119 A S E -GH 77 105A 10 13,-2.5 13,-2.0 -2,-0.4 2,-1.1 -0.960 29.8-139.1-125.0 136.0 14.0 24.5 5.5 93 120 A V E + H 0 104A 2 -17,-2.9 -89,-3.2 -2,-0.4 11,-0.2 -0.809 30.0 178.8 -84.4 98.9 16.5 21.7 5.7 94 121 A V E - 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