==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 21-JUL-10 3O19 . COMPND 2 MOLECULE: PROSTAGLANDIN-H2 D-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHOU,N.SHAW,Y.LI,Y.ZHAO,R.ZHANG,Z.-J.LIU . 154 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 40.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.9 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 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 12.3 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+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 1 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 1 0 1 1 2 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 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 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 S 0 0 127 0, 0.0 2,-0.4 0, 0.0 86,-0.0 0.000 360.0 360.0 360.0-163.5 3.4 11.0 19.6 2 2 A V - 0 0 40 85,-0.0 87,-0.3 74,-0.0 74,-0.1 -0.946 360.0 -86.7-120.3 144.6 0.7 13.6 20.1 3 3 A Q > - 0 0 40 85,-3.0 3,-0.9 -2,-0.4 87,-0.1 -0.248 49.9-121.2 -49.6 118.1 1.2 17.3 20.9 4 4 A P T 3 S+ 0 0 82 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.356 92.2 10.2 -60.7 142.7 1.4 17.6 24.7 5 5 A N T 3 S- 0 0 140 1,-0.2 2,-0.1 -3,-0.1 70,-0.1 0.874 90.4-161.7 57.4 41.3 -1.2 19.8 26.3 6 6 A F < - 0 0 7 -3,-0.9 2,-0.7 68,-0.2 -1,-0.2 -0.341 8.9-157.0 -63.4 129.9 -3.1 20.0 23.0 7 7 A Q >> - 0 0 89 1,-0.2 3,-0.9 -3,-0.1 4,-0.7 -0.881 6.6-169.7-111.8 99.9 -5.5 23.0 22.8 8 8 A Q H >> S+ 0 0 56 -2,-0.7 3,-1.2 1,-0.2 4,-0.6 0.868 83.7 60.0 -58.9 -38.7 -8.2 22.3 20.3 9 9 A D H >4 S+ 0 0 113 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.829 104.8 48.9 -62.3 -30.8 -9.6 25.8 20.4 10 10 A K H <4 S+ 0 0 116 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.614 105.6 60.0 -80.9 -12.2 -6.2 27.3 19.3 11 11 A F H << S+ 0 0 7 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.531 86.0 103.3 -91.7 -8.1 -6.1 24.7 16.4 12 12 A L << + 0 0 51 -4,-0.6 2,-0.2 -3,-0.6 30,-0.2 -0.184 58.4 39.7 -70.2 164.2 -9.3 26.0 14.9 13 13 A G E S-A 41 0A 28 28,-2.6 28,-2.7 2,-0.0 2,-0.4 -0.625 93.6 -4.2 106.2-155.9 -9.5 28.2 11.8 14 14 A R E +A 40 0A 119 -2,-0.2 2,-0.3 26,-0.2 26,-0.2 -0.666 55.8 168.9 -90.5 128.1 -7.8 28.5 8.4 15 15 A W E -A 39 0A 1 24,-2.9 24,-3.3 -2,-0.4 2,-0.4 -0.938 25.1-136.5-128.7 154.2 -4.9 26.3 7.5 16 16 A F E -E 118 0B 18 102,-2.8 102,-2.2 -2,-0.3 2,-1.3 -0.937 18.4-128.4-111.6 136.7 -3.1 25.7 4.2 17 17 A S E +E 117 0B 12 -2,-0.4 100,-0.2 100,-0.2 19,-0.2 -0.690 44.7 157.9 -82.7 94.7 -2.1 22.2 3.1 18 18 A A E + 0 0 4 98,-1.9 130,-0.8 -2,-1.3 2,-0.3 0.840 54.3 24.2 -92.4 -38.9 1.6 22.9 2.4 19 19 A G E -EF 116 147B 0 97,-1.6 97,-2.3 128,-0.2 2,-0.3 -0.942 57.0-175.0-135.2 153.2 3.3 19.5 2.6 20 20 A L E -EF 115 146B 7 126,-3.0 126,-2.9 -2,-0.3 2,-0.3 -0.998 7.4-177.8-145.8 143.4 2.4 15.9 2.2 21 21 A A E +EF 114 145B 0 93,-2.3 93,-3.0 -2,-0.3 2,-0.3 -0.954 18.1 161.7-140.2 126.6 4.2 12.5 2.6 22 22 A S E -E 113 0B 0 122,-0.8 91,-0.2 -2,-0.3 89,-0.1 -0.996 41.1-145.0-144.3 148.1 2.4 9.2 1.9 23 23 A N S S+ 0 0 52 89,-1.5 2,-0.6 -2,-0.3 90,-0.1 0.314 81.8 91.9 -91.0 7.3 3.4 5.6 1.2 24 24 A S > - 0 0 31 88,-0.4 4,-2.4 1,-0.2 5,-0.2 -0.908 56.9-167.1-105.7 112.8 0.5 5.3 -1.2 25 25 A S H > S+ 0 0 58 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.901 90.9 56.4 -60.9 -41.4 1.2 6.2 -4.8 26 26 A W H > S+ 0 0 170 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 111.1 41.7 -57.5 -47.5 -2.5 6.3 -5.6 27 27 A L H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 113.5 52.6 -69.5 -42.1 -3.1 9.0 -2.9 28 28 A R H X S+ 0 0 67 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.920 111.8 46.7 -55.7 -47.2 0.0 10.9 -3.8 29 29 A E H X S+ 0 0 127 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.897 111.0 52.1 -64.2 -41.8 -1.0 11.0 -7.4 30 30 A K H < S+ 0 0 114 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.914 112.9 44.2 -60.0 -44.9 -4.6 12.0 -6.5 31 31 A K H >< S+ 0 0 84 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.872 110.6 54.1 -69.8 -37.8 -3.4 14.9 -4.4 32 32 A A H 3< S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.711 97.7 65.2 -70.8 -20.5 -0.8 16.1 -6.9 33 33 A A T 3< S+ 0 0 77 -4,-1.2 25,-0.4 -3,-0.3 2,-0.3 0.398 102.5 59.7 -83.3 3.9 -3.4 16.3 -9.6 34 34 A L S < S- 0 0 15 -3,-1.4 2,-0.5 23,-0.1 23,-0.2 -0.808 77.9-128.1-124.6 166.5 -5.2 19.1 -7.7 35 35 A S E - B 0 56A 35 21,-2.0 21,-2.9 -2,-0.3 2,-0.3 -0.982 27.1-132.4-116.3 123.7 -4.2 22.5 -6.4 36 36 A M E +cB 150 55A 17 113,-2.4 115,-2.6 -2,-0.5 19,-0.2 -0.554 26.9 173.3 -78.2 136.1 -4.9 23.2 -2.7 37 37 A A E - 0 0 0 17,-2.5 2,-0.3 1,-0.3 18,-0.2 0.811 56.4 -44.4 -98.5 -76.4 -6.6 26.4 -1.7 38 38 A K E - B 0 54A 41 16,-0.9 16,-3.1 116,-0.1 2,-0.4 -0.973 40.5-140.1-151.9 163.3 -7.3 26.3 2.1 39 39 A S E -AB 15 53A 1 -24,-3.3 -24,-2.9 -2,-0.3 2,-0.4 -0.958 13.9-152.5-123.0 148.2 -8.6 24.0 4.8 40 40 A V E -AB 14 52A 47 12,-2.3 12,-2.6 -2,-0.4 2,-0.6 -0.989 2.7-156.1-123.8 128.5 -10.9 25.0 7.7 41 41 A V E +AB 13 51A 7 -28,-2.7 -28,-2.6 -2,-0.4 10,-0.2 -0.904 24.0 162.0-104.3 121.4 -10.9 23.3 11.0 42 42 A A E - B 0 50A 39 8,-2.2 8,-3.7 -2,-0.6 2,-0.1 -0.972 44.2 -96.2-137.6 150.7 -14.1 23.6 13.1 43 43 A P E - B 0 49A 73 0, 0.0 6,-0.3 0, 0.0 2,-0.1 -0.464 41.7-135.2 -65.0 136.1 -15.6 21.8 16.0 44 44 A A - 0 0 11 4,-2.0 6,-0.0 2,-0.2 23,-0.0 -0.431 34.7 -90.3 -86.5 167.4 -18.1 19.1 14.9 45 45 A T S S+ 0 0 163 -2,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.592 118.2 45.8 -56.4 -8.1 -21.5 18.6 16.5 46 46 A D S S- 0 0 111 2,-0.0 -2,-0.2 0, 0.0 23,-0.0 -0.492 118.7 -73.8-116.6-167.2 -19.6 16.2 18.8 47 47 A G S S+ 0 0 44 -2,-0.2 -2,-0.1 -4,-0.1 2,-0.1 0.344 107.8 77.0 -75.4 9.6 -16.2 16.4 20.6 48 48 A G S S- 0 0 1 22,-0.1 -4,-2.0 1,-0.0 2,-0.3 -0.057 79.6 -97.4-102.6-156.4 -14.4 16.1 17.3 49 49 A L E -BD 43 68A 2 19,-2.5 19,-3.6 -6,-0.3 2,-0.6 -0.948 9.4-140.5-131.6 146.3 -13.5 18.3 14.3 50 50 A N E -BD 42 67A 50 -8,-3.7 -8,-2.2 -2,-0.3 2,-0.7 -0.949 19.0-161.5-100.9 123.6 -14.8 19.0 10.8 51 51 A L E -BD 41 66A 13 15,-2.8 15,-2.6 -2,-0.6 2,-0.6 -0.923 6.7-169.1-106.7 109.3 -12.0 19.4 8.4 52 52 A T E -BD 40 65A 42 -12,-2.6 -12,-2.3 -2,-0.7 2,-0.5 -0.890 2.9-165.2-105.9 116.5 -13.2 21.2 5.2 53 53 A S E -BD 39 64A 29 11,-3.1 11,-2.2 -2,-0.6 2,-0.4 -0.857 3.8-163.5-106.1 130.6 -10.7 21.2 2.3 54 54 A T E +BD 38 63A 18 -16,-3.1 -17,-2.5 -2,-0.5 -16,-0.9 -0.938 21.9 157.1-113.2 133.1 -11.1 23.5 -0.7 55 55 A F E -BD 36 62A 15 7,-2.6 7,-2.8 -2,-0.4 2,-0.5 -0.946 39.5-111.4-150.3 166.3 -9.2 22.8 -3.8 56 56 A L E +BD 35 61A 20 -21,-2.9 -21,-2.0 -2,-0.3 2,-0.4 -0.915 27.9 179.2-107.4 126.0 -9.1 23.3 -7.6 57 57 A R E > S- D 0 60A 91 3,-2.9 3,-1.7 -2,-0.5 -23,-0.1 -0.985 76.5 -19.1-127.2 120.2 -9.6 20.4 -9.9 58 58 A K T 3 S- 0 0 188 -2,-0.4 -1,-0.1 -25,-0.4 3,-0.1 0.914 127.8 -53.9 46.4 50.0 -9.5 21.1 -13.7 59 59 A N T 3 S+ 0 0 118 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.659 116.0 120.0 60.9 18.2 -10.1 24.8 -13.0 60 60 A Q E < -D 57 0A 131 -3,-1.7 -3,-2.9 94,-0.0 2,-0.3 -0.957 64.3-128.9-113.4 127.9 -13.2 23.9 -10.9 61 61 A a E +D 56 0A 75 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.569 35.9 174.9 -71.6 134.6 -13.4 24.8 -7.2 62 62 A E E -D 55 0A 42 -7,-2.8 -7,-2.6 -2,-0.3 2,-0.3 -0.958 16.9-155.8-138.6 157.6 -14.4 21.9 -5.1 63 63 A T E -D 54 0A 79 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.989 5.3-172.4-135.3 146.2 -14.8 21.1 -1.4 64 64 A R E -D 53 0A 132 -11,-2.2 -11,-3.1 -2,-0.3 2,-0.5 -0.999 11.0-152.3-134.5 137.7 -14.6 18.0 0.7 65 65 A T E -D 52 0A 84 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.939 6.9-165.7-115.0 131.6 -15.5 17.7 4.4 66 66 A M E -D 51 0A 54 -15,-2.6 -15,-2.8 -2,-0.5 2,-0.7 -0.962 13.9-141.9-116.9 124.7 -14.0 15.1 6.7 67 67 A L E -D 50 0A 76 -2,-0.5 2,-0.8 -17,-0.2 13,-0.4 -0.757 12.7-162.7 -84.6 117.5 -15.4 14.3 10.2 68 68 A L E -D 49 0A 8 -19,-3.6 -19,-2.5 -2,-0.7 11,-0.2 -0.879 12.1-154.8-101.4 104.6 -12.6 13.6 12.6 69 69 A Q E -G 78 0B 93 9,-2.7 9,-2.5 -2,-0.8 -19,-0.0 -0.481 27.7 -94.4 -78.7 148.7 -14.1 11.9 15.6 70 70 A P E -G 77 0B 55 0, 0.0 7,-0.2 0, 0.0 -22,-0.1 -0.331 29.5-160.3 -59.5 144.1 -12.5 12.1 19.1 71 71 A A - 0 0 54 5,-2.0 6,-0.2 2,-0.5 3,-0.1 0.153 51.9 -89.4-116.5 15.5 -10.2 9.1 19.8 72 72 A G S S+ 0 0 83 4,-0.2 2,-0.3 1,-0.1 5,-0.1 0.375 104.4 65.3 98.5 -5.4 -10.1 9.3 23.6 73 73 A S S > S- 0 0 67 3,-0.4 3,-2.2 0, 0.0 -2,-0.5 -0.991 92.9 -92.1-145.7 149.4 -7.1 11.7 24.1 74 74 A L T 3 S+ 0 0 134 -2,-0.3 -68,-0.2 1,-0.3 3,-0.1 -0.358 112.8 19.1 -64.6 131.7 -6.6 15.3 23.1 75 75 A G T 3 S+ 0 0 1 1,-0.2 13,-2.4 -2,-0.1 2,-0.5 0.296 103.2 106.1 91.8 -8.7 -5.1 15.7 19.7 76 76 A S E < + H 0 87B 16 -3,-2.2 -5,-2.0 11,-0.2 -3,-0.4 -0.911 43.7 167.3-108.9 129.1 -6.1 12.2 18.7 77 77 A Y E -GH 70 86B 10 9,-3.0 9,-2.5 -2,-0.5 2,-0.4 -0.823 24.8-136.3-133.3 171.3 -8.9 11.6 16.2 78 78 A S E -GH 69 85B 34 -9,-2.5 -9,-2.7 -2,-0.3 2,-0.4 -0.994 10.2-164.7-132.5 139.0 -10.5 8.9 14.1 79 79 A Y E H 0 84B 81 5,-2.9 5,-3.0 -2,-0.4 -11,-0.1 -0.988 360.0 360.0-125.3 127.1 -11.7 9.0 10.5 80 80 A R 0 0 198 -2,-0.4 3,-0.2 -13,-0.4 -13,-0.2 -0.878 360.0 360.0-106.1 360.0 -14.0 6.3 9.0 81 ! 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 82 86 A S 0 0 56 0, 0.0 2,-0.4 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 156.6 -11.3 1.2 6.7 83 87 A T E - I 0 105B 16 22,-1.7 21,-3.4 -3,-0.2 22,-1.6 -0.943 360.0-157.4-121.4 147.1 -10.7 3.4 9.7 84 88 A Y E -HI 79 103B 57 -5,-3.0 -5,-2.9 -2,-0.4 2,-0.4 -0.964 13.1-135.8-128.9 139.5 -7.8 5.8 10.2 85 89 A S E -HI 78 102B 38 17,-3.2 17,-1.8 -2,-0.4 2,-0.5 -0.779 21.2-166.3 -88.5 135.2 -6.1 7.4 13.2 86 90 A V E -HI 77 101B 11 -9,-2.5 -9,-3.0 -2,-0.4 2,-0.4 -0.989 7.8-176.5-126.3 122.6 -5.3 11.1 12.8 87 91 A S E -HI 76 100B 22 13,-2.8 13,-2.4 -2,-0.5 2,-1.1 -0.959 30.2-139.9-124.4 135.4 -2.9 12.8 15.2 88 92 A V E + I 0 99B 2 -13,-2.4 -85,-3.0 -2,-0.4 11,-0.2 -0.810 30.2 177.6 -84.1 99.8 -1.7 16.3 15.7 89 93 A V E + 0 0 20 9,-1.9 2,-0.3 -2,-1.1 -1,-0.2 0.872 61.6 0.4 -77.7 -38.2 1.9 15.4 16.5 90 94 A E E + I 0 98B 79 8,-1.4 8,-3.2 -3,-0.2 2,-0.3 -0.978 67.2 155.4-153.6 137.6 3.3 18.9 16.8 91 95 A T E - I 0 97B 7 -2,-0.3 6,-0.2 6,-0.2 -80,-0.0 -0.977 33.0-164.0-157.7 148.4 1.9 22.4 16.5 92 96 A D - 0 0 49 4,-1.5 2,-2.0 -2,-0.3 5,-0.1 0.221 44.5-135.9-110.5 8.1 2.6 25.9 17.7 93 97 A Y S S+ 0 0 25 3,-0.8 4,-0.1 1,-0.2 0, 0.0 -0.121 91.7 57.3 73.6 -41.2 -1.0 26.9 16.7 94 98 A D S S+ 0 0 114 -2,-2.0 -1,-0.2 2,-0.1 3,-0.1 0.426 120.1 17.8-105.6 2.1 -0.1 30.2 15.0 95 99 A Q S S- 0 0 72 1,-0.4 24,-2.4 24,-0.1 25,-0.5 0.585 118.8 -2.5-132.1 -52.4 2.4 29.0 12.4 96 100 A Y E - 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