==== 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 22-JUL-10 3O22 . 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 . 157 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 77.1 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 . 64 40.8 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 . 3 1.9 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 . 17 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 12.1 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 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 0 1 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 29 A S 0 0 128 0, 0.0 2,-0.4 0, 0.0 101,-0.1 0.000 360.0 360.0 360.0-170.2 3.0 10.8 19.4 2 30 A V - 0 0 40 99,-0.0 89,-0.3 87,-0.0 90,-0.1 -0.969 360.0 -88.4-130.4 145.0 0.5 13.5 20.0 3 31 A Q > - 0 0 40 87,-3.0 3,-0.9 -2,-0.4 89,-0.1 -0.288 49.7-121.1 -50.8 120.0 1.0 17.2 20.9 4 32 A P T 3 S+ 0 0 86 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.338 92.0 10.4 -63.0 146.0 1.2 17.4 24.7 5 33 A N T 3 S- 0 0 142 1,-0.2 70,-0.1 69,-0.1 -2,-0.1 0.862 90.5-161.4 55.7 39.5 -1.5 19.6 26.4 6 34 A F < - 0 0 7 -3,-0.9 2,-0.6 68,-0.2 -1,-0.2 -0.305 8.4-157.8 -60.3 131.1 -3.3 19.9 23.0 7 35 A Q >> - 0 0 90 1,-0.2 3,-0.7 -3,-0.1 4,-0.7 -0.888 6.9-169.3-115.0 98.0 -5.7 22.9 23.0 8 36 A Q H >> S+ 0 0 53 -2,-0.6 3,-1.3 1,-0.2 4,-0.6 0.867 83.1 61.2 -58.4 -39.0 -8.4 22.4 20.3 9 37 A D H >4 S+ 0 0 111 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.881 104.5 48.5 -57.8 -36.0 -9.7 25.9 20.5 10 38 A K H <4 S+ 0 0 117 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.615 105.5 60.5 -78.3 -11.4 -6.3 27.3 19.4 11 39 A F H << S+ 0 0 7 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.529 85.4 103.8 -90.7 -9.9 -6.2 24.8 16.5 12 40 A L << + 0 0 53 -3,-0.8 2,-0.3 -4,-0.6 30,-0.2 -0.200 57.6 38.7 -70.2 163.0 -9.4 26.2 14.9 13 41 A G E S-A 41 0A 28 28,-2.8 28,-2.6 2,-0.0 2,-0.4 -0.667 93.4 -3.1 108.5-155.0 -9.6 28.4 11.9 14 42 A R E +A 40 0A 114 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.669 56.6 169.3 -90.2 128.5 -7.9 28.7 8.5 15 43 A W E -A 39 0A 1 24,-2.8 24,-2.8 -2,-0.4 2,-0.4 -0.934 24.9-135.6-129.7 154.9 -5.0 26.5 7.6 16 44 A F E -E 120 0B 18 104,-2.8 104,-2.2 -2,-0.3 2,-1.1 -0.933 18.5-127.4-112.3 136.6 -3.1 25.9 4.4 17 45 A S E +E 119 0B 7 -2,-0.4 102,-0.2 102,-0.2 19,-0.2 -0.703 43.4 159.4 -80.3 97.7 -2.1 22.4 3.1 18 46 A A E + 0 0 21 100,-2.1 132,-0.6 -2,-1.1 2,-0.3 0.839 54.4 18.6 -94.4 -38.1 1.6 23.0 2.5 19 47 A G E -EF 118 149B 0 99,-1.6 99,-2.4 130,-0.2 2,-0.3 -0.966 55.3-175.4-141.4 151.5 3.2 19.6 2.5 20 48 A L E -EF 117 148B 8 128,-2.9 128,-3.0 -2,-0.3 2,-0.4 -0.997 6.0-177.6-145.3 141.4 2.2 15.9 2.2 21 49 A A E +EF 116 147B 0 95,-2.4 95,-2.6 -2,-0.3 2,-0.3 -0.982 17.7 162.8-135.4 131.4 3.9 12.5 2.4 22 50 A S E -E 115 0B 0 124,-0.8 93,-0.2 -2,-0.4 91,-0.1 -0.994 41.1-142.9-144.2 152.0 2.1 9.3 1.8 23 51 A N S S+ 0 0 64 91,-1.6 2,-0.7 -2,-0.3 3,-0.1 0.282 81.5 93.1 -93.3 8.8 3.0 5.7 1.0 24 52 A S > - 0 0 29 90,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.903 54.8-169.5-104.5 111.1 0.0 5.5 -1.4 25 53 A S H > S+ 0 0 58 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.909 90.7 57.3 -63.0 -40.4 0.9 6.3 -5.0 26 54 A W H > S+ 0 0 179 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.937 110.7 42.6 -53.6 -48.1 -2.8 6.3 -5.8 27 55 A L H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.916 112.4 51.7 -69.0 -43.4 -3.4 9.0 -3.1 28 56 A R H X S+ 0 0 65 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.905 110.8 49.5 -59.0 -41.5 -0.3 11.1 -4.0 29 57 A E H X S+ 0 0 116 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.889 109.3 51.5 -66.9 -39.8 -1.3 11.1 -7.7 30 58 A K H >< S+ 0 0 86 -4,-1.9 3,-0.6 -5,-0.2 -1,-0.2 0.921 112.2 46.3 -61.6 -43.0 -4.9 12.2 -6.8 31 59 A K H >< S+ 0 0 78 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.864 106.3 59.1 -68.7 -33.9 -3.6 15.1 -4.7 32 60 A A H 3< S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.745 96.5 63.0 -67.3 -22.0 -1.1 16.1 -7.4 33 61 A A T << S+ 0 0 70 -4,-0.9 25,-0.5 -3,-0.6 2,-0.3 0.426 103.9 54.7 -85.2 2.8 -4.0 16.7 -9.9 34 62 A L S < S- 0 0 19 -3,-1.6 2,-0.5 23,-0.1 23,-0.2 -0.866 72.7-131.6-130.9 166.9 -5.5 19.4 -7.7 35 63 A S E - B 0 56A 34 21,-2.2 21,-3.1 -2,-0.3 2,-0.2 -0.981 24.6-133.6-119.8 125.6 -4.5 22.8 -6.2 36 64 A M E +cB 152 55A 12 115,-1.7 117,-2.4 -2,-0.5 19,-0.3 -0.547 23.7 176.2 -80.2 140.2 -5.3 23.4 -2.5 37 65 A A E - 0 0 0 17,-2.7 2,-0.3 1,-0.4 18,-0.2 0.797 58.4 -39.4-101.9 -76.1 -6.8 26.8 -1.5 38 66 A K E - B 0 54A 23 16,-0.7 16,-3.0 118,-0.1 -1,-0.4 -0.965 42.5-141.8-143.2 169.4 -7.5 26.6 2.2 39 67 A S E -AB 15 53A 0 -24,-2.8 -24,-2.8 -2,-0.3 2,-0.5 -0.971 13.7-152.1-125.6 148.6 -8.8 24.3 4.9 40 68 A V E -AB 14 52A 48 12,-2.4 12,-2.8 -2,-0.4 2,-0.5 -0.987 2.8-157.6-123.5 128.4 -11.0 25.3 7.8 41 69 A V E +AB 13 51A 8 -28,-2.6 -28,-2.8 -2,-0.5 10,-0.2 -0.917 24.4 159.2-105.2 123.4 -11.0 23.5 11.1 42 70 A A E - B 0 50A 39 8,-2.1 8,-3.5 -2,-0.5 2,-0.0 -0.984 45.6 -91.1-142.2 151.2 -14.1 23.9 13.3 43 71 A P E - B 0 49A 74 0, 0.0 6,-0.3 0, 0.0 2,-0.2 -0.366 41.9-139.3 -63.0 140.2 -15.7 21.9 16.2 44 72 A A > - 0 0 12 4,-2.3 3,-1.8 24,-0.2 23,-0.0 -0.588 23.8-108.2 -95.9 163.3 -18.1 19.3 15.0 45 73 A T T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 4,-0.0 0.651 117.4 59.6 -65.0 -13.0 -21.4 18.5 16.7 46 74 A D T 3 S- 0 0 63 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.332 122.9 -98.1 -99.4 7.1 -19.9 15.2 18.0 47 75 A G S < S+ 0 0 50 -3,-1.8 -2,-0.1 1,-0.3 2,-0.0 0.381 98.6 88.0 92.7 -4.1 -17.0 16.8 20.0 48 76 A G S S- 0 0 0 22,-0.1 -4,-2.3 1,-0.1 2,-0.4 0.054 81.6 -80.3-100.0-145.4 -14.5 16.3 17.3 49 77 A L E -BD 43 68A 2 19,-2.4 19,-3.5 -6,-0.3 2,-0.5 -0.960 17.8-142.7-127.2 142.4 -13.5 18.5 14.3 50 78 A N E -BD 42 67A 53 -8,-3.5 -8,-2.1 -2,-0.4 2,-0.6 -0.915 17.3-160.7 -93.1 128.9 -14.9 19.2 10.9 51 79 A L E -BD 41 66A 16 15,-2.7 15,-2.3 -2,-0.5 2,-0.6 -0.948 7.0-168.2-109.8 109.0 -12.1 19.7 8.4 52 80 A T E -BD 40 65A 42 -12,-2.8 -12,-2.4 -2,-0.6 2,-0.5 -0.895 4.3-164.1-104.7 117.0 -13.4 21.5 5.4 53 81 A S E -BD 39 64A 20 11,-3.1 11,-2.3 -2,-0.6 2,-0.4 -0.866 5.2-164.7-106.3 131.0 -11.0 21.5 2.4 54 82 A T E +BD 38 63A 13 -16,-3.0 -17,-2.7 -2,-0.5 -16,-0.7 -0.938 22.3 155.7-114.1 133.7 -11.3 23.9 -0.5 55 83 A F E -BD 36 62A 13 7,-2.6 7,-2.6 -2,-0.4 2,-0.5 -0.960 40.4-112.6-153.0 165.9 -9.4 23.1 -3.7 56 84 A L E +BD 35 61A 17 -21,-3.1 -21,-2.2 -2,-0.3 2,-0.4 -0.916 28.5 177.5-108.3 124.7 -9.3 23.7 -7.4 57 85 A R E > S- D 0 60A 87 3,-2.6 3,-1.2 -2,-0.5 -23,-0.1 -0.988 76.6 -15.1-128.2 121.7 -9.8 20.7 -9.8 58 86 A K T 3 S- 0 0 186 -25,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.929 128.4 -55.1 48.2 54.0 -9.9 21.4 -13.5 59 87 A N T 3 S+ 0 0 122 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.686 116.2 113.0 51.4 26.8 -10.3 25.1 -12.8 60 88 A Q E < -D 57 0A 136 -3,-1.2 -3,-2.6 96,-0.0 2,-0.2 -0.990 68.0-123.3-123.3 134.7 -13.4 24.6 -10.7 61 89 A a E +D 56 0A 76 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.511 34.3 179.8 -71.7 140.1 -13.6 25.3 -7.0 62 90 A E E -D 55 0A 36 -7,-2.6 -7,-2.6 -2,-0.2 2,-0.4 -0.979 13.7-157.3-139.2 149.9 -14.6 22.3 -4.9 63 91 A T E -D 54 0A 83 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.989 8.8-178.5-130.0 141.9 -15.1 21.7 -1.2 64 92 A R E -D 53 0A 122 -11,-2.3 -11,-3.1 -2,-0.4 2,-0.4 -0.995 12.2-150.5-136.2 141.4 -15.1 18.5 0.8 65 93 A T E -D 52 0A 82 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.938 6.4-166.4-117.4 137.8 -15.7 18.0 4.5 66 94 A M E -D 51 0A 57 -15,-2.3 -15,-2.7 -2,-0.4 2,-0.7 -0.985 15.8-139.4-121.6 129.0 -14.2 15.3 6.7 67 95 A L E -D 50 0A 68 -2,-0.4 2,-0.8 -17,-0.2 13,-0.4 -0.786 11.7-162.2 -87.0 116.5 -15.5 14.5 10.2 68 96 A L E -D 49 0A 11 -19,-3.5 -19,-2.4 -2,-0.7 11,-0.2 -0.871 14.7-154.1 -98.8 102.6 -12.7 13.8 12.6 69 97 A Q E -G 78 0B 71 9,-2.7 9,-2.4 -2,-0.8 -22,-0.1 -0.479 27.4 -96.7 -77.4 144.8 -14.3 12.0 15.6 70 98 A P E -G 77 0B 60 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.382 30.1-160.8 -61.0 140.0 -12.7 12.3 19.0 71 99 A A - 0 0 53 5,-2.1 6,-0.2 2,-0.5 3,-0.1 0.206 49.3 -94.7-109.9 13.5 -10.5 9.2 19.6 72 100 A G S S+ 0 0 78 4,-0.3 2,-0.3 1,-0.2 5,-0.1 0.564 103.2 77.8 88.7 4.8 -10.3 9.5 23.4 73 101 A S S > S- 0 0 75 3,-0.5 3,-2.1 0, 0.0 -2,-0.5 -0.974 90.6-104.6-136.8 138.5 -7.1 11.4 23.7 74 102 A L T 3 S+ 0 0 134 -2,-0.3 -68,-0.2 1,-0.3 3,-0.1 -0.403 109.9 24.0 -62.9 134.9 -6.8 15.1 23.1 75 103 A G T 3 S+ 0 0 1 1,-0.2 15,-2.7 -2,-0.1 2,-0.4 0.311 104.8 102.0 90.9 -7.5 -5.2 15.8 19.7 76 104 A S E < + H 0 89B 18 -3,-2.1 -5,-2.1 13,-0.2 -3,-0.5 -0.932 45.2 168.1-115.1 133.8 -6.2 12.3 18.5 77 105 A Y E -GH 70 88B 11 11,-3.0 11,-2.7 -2,-0.4 2,-0.4 -0.851 24.8-134.5-137.0 167.1 -9.1 11.7 16.1 78 106 A S E -GH 69 87B 28 -9,-2.4 -9,-2.7 -2,-0.3 2,-0.4 -0.992 12.2-161.8-128.6 140.1 -10.6 9.0 14.0 79 107 A Y E - H 0 86B 45 7,-2.7 7,-2.7 -2,-0.4 2,-0.5 -0.979 2.7-160.6-121.5 129.7 -11.9 9.2 10.4 80 108 A R E - H 0 85B 154 -2,-0.4 5,-0.2 -13,-0.4 -13,-0.2 -0.944 20.7-133.3-109.3 120.7 -14.2 6.7 8.8 81 109 A S 0 0 65 3,-1.7 -15,-0.0 -2,-0.5 -2,-0.0 -0.622 360.0 360.0 -79.5 115.8 -14.2 6.9 4.9 82 110 A P 0 0 155 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.848 360.0 360.0 -71.7 360.0 -17.8 6.9 3.5 83 ! 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 84 114 A S 0 0 53 0, 0.0 -3,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.9 -11.6 1.5 6.6 85 115 A T E -HI 80 107B 20 22,-1.8 21,-3.1 -5,-0.2 22,-1.4 -0.905 360.0-157.1-118.7 147.2 -11.0 3.7 9.6 86 116 A Y E -HI 79 105B 49 -7,-2.7 -7,-2.7 -2,-0.3 2,-0.4 -0.979 13.4-135.4-128.8 137.6 -8.0 6.0 10.1 87 117 A S E -HI 78 104B 37 17,-2.8 17,-1.8 -2,-0.4 2,-0.4 -0.743 22.3-167.5 -84.0 138.1 -6.3 7.4 13.2 88 118 A V E -HI 77 103B 12 -11,-2.7 -11,-3.0 -2,-0.4 2,-0.4 -0.993 7.4-176.7-130.3 121.2 -5.5 11.1 12.7 89 119 A S E -HI 76 102B 21 13,-2.6 13,-2.3 -2,-0.4 2,-1.1 -0.962 30.8-137.8-123.7 136.6 -3.1 12.8 15.2 90 120 A V E - 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