==== 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 OXIDOREDUCTASE 17-MAR-06 2GDZ . COMPND 2 MOLECULE: NAD+-DEPENDENT 15-HYDROXYPROSTAGLANDIN DEHYDROGEN . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.PILKA,K.GUO,K.KAVANAGH,F.VON DELFT,C.ARROWSMITH,J.WEIGEL . 266 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.4 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 . 19 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 0 0 0 1 0 0 2 1 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 2 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 . 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 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 0 A A 0 0 122 0, 0.0 2,-0.3 0, 0.0 235,-0.2 0.000 360.0 360.0 360.0 148.6 3.3 21.4 71.8 2 1 A H - 0 0 67 233,-2.1 2,-0.4 232,-0.2 232,-0.0 -0.641 360.0-129.5 -76.3 140.8 5.9 24.2 71.4 3 2 A M - 0 0 158 -2,-0.3 4,-0.1 1,-0.1 26,-0.0 -0.809 7.7-154.3 -93.8 133.0 8.0 24.1 68.2 4 3 A V > + 0 0 4 -2,-0.4 3,-2.5 2,-0.1 -1,-0.1 0.847 60.0 112.1 -73.1 -34.4 11.8 24.4 68.8 5 4 A N T 3 S+ 0 0 120 1,-0.3 26,-0.2 24,-0.2 25,-0.2 -0.107 87.0 7.4 -49.1 127.2 12.5 25.9 65.4 6 5 A G T 3 S+ 0 0 30 24,-2.7 -1,-0.3 1,-0.3 25,-0.2 0.248 94.9 130.0 85.7 -11.4 13.7 29.5 65.5 7 6 A K < - 0 0 44 -3,-2.5 25,-2.7 -4,-0.1 2,-0.5 -0.423 57.1-126.0 -70.4 154.7 14.0 29.6 69.3 8 7 A V E -a 32 0A 1 23,-0.2 79,-2.8 -3,-0.1 80,-2.1 -0.899 26.5-168.7-107.1 123.8 17.2 30.9 70.9 9 8 A A E -ab 33 88A 0 23,-3.0 25,-3.4 -2,-0.5 2,-0.5 -0.903 14.2-159.3-112.4 138.5 19.0 28.7 73.4 10 9 A L E -ab 34 89A 0 78,-2.6 80,-3.0 -2,-0.4 2,-0.6 -0.986 17.2-171.4-112.5 115.3 21.9 29.5 75.7 11 10 A V E > -ab 35 90A 0 23,-2.8 25,-2.6 -2,-0.5 3,-0.7 -0.947 9.8-150.7-111.4 115.7 23.6 26.3 76.8 12 11 A T E 3 S+a 36 0A 6 78,-2.8 80,-0.3 -2,-0.6 25,-0.2 -0.597 83.7 21.7 -83.0 152.6 26.3 26.4 79.5 13 12 A G T > S+ 0 0 10 23,-1.8 3,-0.7 -2,-0.2 6,-0.5 0.835 82.4 146.9 61.0 34.1 29.1 23.9 79.4 14 13 A A T < + 0 0 0 22,-1.7 23,-0.1 -3,-0.7 9,-0.1 0.510 41.9 84.6 -80.2 -8.6 28.3 23.4 75.8 15 14 A A T 3 S- 0 0 4 21,-0.3 2,-0.3 4,-0.1 -1,-0.2 0.768 102.5 -6.6 -67.4 -29.1 31.9 22.7 74.5 16 15 A Q S X> S+ 0 0 94 -3,-0.7 4,-1.5 30,-0.0 3,-0.7 -0.923 103.9 17.5-150.9 176.8 31.7 19.0 75.3 17 16 A G H 3> S- 0 0 29 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.109 120.7 -9.7 57.4-138.6 29.8 16.0 76.8 18 17 A I H 3> S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 135.4 57.6 -65.1 -39.0 26.1 16.5 77.5 19 18 A G H <> S+ 0 0 0 -3,-0.7 4,-2.6 -6,-0.5 -5,-0.3 0.924 107.7 47.3 -56.0 -44.3 26.2 20.3 76.8 20 19 A R H X S+ 0 0 68 -4,-1.5 4,-2.8 -7,-0.4 -1,-0.2 0.911 110.0 52.7 -68.5 -41.7 27.5 19.6 73.3 21 20 A A H X S+ 0 0 8 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.889 109.4 50.4 -53.7 -43.7 24.9 16.9 72.7 22 21 A F H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.952 110.0 48.8 -58.0 -50.3 22.2 19.5 73.8 23 22 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.930 113.6 47.7 -57.1 -47.0 23.7 22.1 71.3 24 23 A E H X S+ 0 0 62 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.927 113.5 46.5 -63.1 -46.1 23.7 19.5 68.5 25 24 A A H X S+ 0 0 22 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.911 113.6 48.9 -61.9 -45.0 20.1 18.3 69.2 26 25 A L H <>S+ 0 0 0 -4,-3.0 5,-2.4 2,-0.2 -2,-0.2 0.931 111.4 49.6 -61.3 -45.2 18.8 22.0 69.4 27 26 A L H ><5S+ 0 0 2 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.909 108.4 52.3 -62.4 -44.2 20.6 22.9 66.1 28 27 A L H 3<5S+ 0 0 143 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.859 107.4 54.0 -60.7 -33.6 19.1 19.9 64.4 29 28 A K T 3<5S- 0 0 89 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.399 126.0-101.1 -82.4 1.9 15.6 21.0 65.6 30 29 A G T < 5S+ 0 0 7 -3,-1.7 -24,-2.7 1,-0.3 -3,-0.2 0.551 75.2 138.8 94.0 6.4 16.1 24.5 64.1 31 30 A A < - 0 0 0 -5,-2.4 2,-0.4 -26,-0.2 -1,-0.3 -0.416 52.5-126.2 -75.9 158.7 17.1 26.5 67.2 32 31 A K E -a 8 0A 56 -25,-2.7 -23,-3.0 -2,-0.1 2,-0.5 -0.888 32.6-154.3 -97.1 143.2 19.9 29.1 67.3 33 32 A V E -ac 9 59A 0 25,-3.0 27,-1.9 -2,-0.4 2,-0.8 -0.968 21.2-156.0-132.1 125.3 22.4 28.2 70.1 34 33 A A E -ac 10 60A 0 -25,-3.4 -23,-2.8 -2,-0.5 2,-0.6 -0.875 22.6-151.6 -91.3 113.5 24.8 30.3 72.2 35 34 A L E -ac 11 61A 1 25,-3.2 27,-2.4 -2,-0.8 2,-0.4 -0.799 15.7-171.4 -85.4 121.0 27.4 27.8 73.3 36 35 A V E +ac 12 62A 0 -25,-2.6 -23,-1.8 -2,-0.6 -22,-1.7 -0.965 18.5 139.9-121.8 129.1 28.8 29.0 76.6 37 36 A D E - c 0 63A 15 25,-1.6 27,-2.0 -2,-0.4 28,-0.1 -0.992 52.1-131.9-162.7 153.1 31.9 27.4 78.3 38 37 A W S S+ 0 0 115 -2,-0.3 2,-1.1 25,-0.2 27,-0.1 0.656 87.7 90.7 -86.5 -11.9 35.0 28.3 80.2 39 38 A N > - 0 0 66 1,-0.2 4,-2.4 25,-0.1 5,-0.2 -0.717 58.2-173.6 -85.9 97.7 37.2 26.1 78.0 40 39 A L H > S+ 0 0 86 -2,-1.1 4,-2.6 2,-0.2 5,-0.2 0.944 79.6 44.5 -59.3 -53.4 38.2 28.5 75.2 41 40 A E H > S+ 0 0 136 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.938 116.7 43.9 -59.4 -50.4 39.9 26.0 72.9 42 41 A A H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 114.5 52.5 -64.9 -38.7 37.3 23.2 73.1 43 42 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.935 111.4 43.8 -60.6 -45.5 34.5 25.9 72.7 44 43 A V H X S+ 0 0 79 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.915 115.6 49.0 -68.8 -42.3 36.1 27.4 69.5 45 44 A Q H X S+ 0 0 117 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.897 109.1 53.9 -63.4 -41.9 36.7 24.0 68.1 46 45 A C H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.949 110.8 44.2 -56.3 -52.6 33.2 22.9 68.9 47 46 A K H X S+ 0 0 39 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.933 114.1 51.7 -58.0 -46.2 31.6 25.9 67.0 48 47 A A H < S+ 0 0 56 -4,-2.7 3,-0.5 1,-0.2 4,-0.4 0.916 111.0 47.1 -57.5 -45.2 34.1 25.3 64.1 49 48 A A H >< S+ 0 0 34 -4,-2.9 3,-1.5 1,-0.2 4,-0.4 0.910 107.4 56.9 -66.5 -37.6 33.1 21.6 63.9 50 49 A L H >X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.3 3,-1.0 0.753 90.4 73.9 -67.4 -24.4 29.4 22.5 64.0 51 50 A H T 3< S+ 0 0 77 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.749 87.9 62.8 -55.7 -24.6 29.8 24.8 60.9 52 51 A E T <4 S+ 0 0 176 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.827 116.5 26.6 -73.4 -30.8 30.1 21.6 58.8 53 52 A Q T <4 S+ 0 0 119 -3,-1.0 2,-0.3 -4,-0.4 -2,-0.2 0.713 126.0 38.8-100.0 -28.1 26.5 20.5 59.7 54 53 A F S < S- 0 0 25 -4,-2.7 -1,-0.2 2,-0.0 5,-0.1 -0.937 91.1 -93.6-130.9 147.6 24.8 23.9 60.5 55 54 A E > - 0 0 65 -2,-0.3 3,-2.5 1,-0.1 4,-0.3 -0.338 39.0-122.9 -56.7 132.5 24.9 27.4 59.0 56 55 A P G > S+ 0 0 70 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.802 109.0 66.5 -47.6 -34.4 27.5 29.4 61.0 57 56 A Q G 3 S+ 0 0 112 1,-0.3 -2,-0.1 -6,-0.1 -6,-0.0 0.589 87.0 70.1 -69.5 -9.0 24.7 32.0 61.8 58 57 A K G < S+ 0 0 46 -3,-2.5 -25,-3.0 -26,-0.1 2,-0.3 0.643 100.2 51.6 -77.3 -15.9 23.0 29.4 63.9 59 58 A T E < -c 33 0A 6 -3,-1.8 2,-0.3 -4,-0.3 -25,-0.2 -0.914 51.8-177.9-130.0 154.5 25.7 29.4 66.6 60 59 A L E -c 34 0A 32 -27,-1.9 -25,-3.2 -2,-0.3 2,-0.4 -0.990 16.1-149.7-140.7 138.8 27.7 31.8 68.8 61 60 A F E -c 35 0A 30 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.943 14.0-178.1-110.1 135.6 30.4 30.9 71.2 62 61 A I E -c 36 0A 24 -27,-2.4 -25,-1.6 -2,-0.4 2,-0.4 -0.988 22.6-137.1-132.2 121.4 31.1 32.9 74.4 63 62 A Q E +c 37 0A 110 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.609 41.3 154.9 -73.0 132.0 33.9 32.1 76.8 64 63 A C - 0 0 2 -27,-2.0 2,-0.8 -2,-0.4 -25,-0.1 -0.927 46.3-141.2-163.6 132.9 32.6 32.3 80.4 65 64 A D > - 0 0 42 -2,-0.3 3,-2.2 1,-0.1 7,-0.3 -0.880 23.7-152.1 -91.8 113.1 33.3 31.0 83.9 66 65 A V T 3 S+ 0 0 12 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.736 91.3 61.3 -64.3 -19.2 29.7 30.5 85.1 67 66 A A T 3 S+ 0 0 28 1,-0.1 2,-0.9 -3,-0.1 -1,-0.3 0.557 84.1 84.7 -83.5 -9.4 30.8 31.0 88.7 68 67 A D S <> S- 0 0 63 -3,-2.2 4,-2.7 1,-0.2 5,-0.2 -0.846 70.3-159.5 -92.3 105.7 32.1 34.5 87.9 69 68 A Q H > S+ 0 0 92 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.875 87.3 47.2 -60.8 -39.4 28.8 36.5 88.3 70 69 A Q H > S+ 0 0 98 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 113.0 51.4 -67.2 -38.0 29.8 39.6 86.3 71 70 A Q H > S+ 0 0 72 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 111.1 48.0 -61.4 -44.1 31.2 37.3 83.5 72 71 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 -7,-0.3 -2,-0.2 0.941 111.4 49.3 -68.4 -41.4 27.9 35.4 83.5 73 72 A R H X S+ 0 0 98 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.934 111.5 49.2 -58.4 -46.2 25.8 38.7 83.4 74 73 A D H X S+ 0 0 54 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.892 108.6 55.5 -59.3 -41.6 27.9 40.0 80.5 75 74 A T H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.916 106.8 47.8 -60.3 -46.4 27.4 36.7 78.7 76 75 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.931 112.1 51.0 -59.7 -45.5 23.6 36.9 78.9 77 76 A R H X S+ 0 0 110 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.915 110.1 48.6 -58.9 -43.7 23.7 40.4 77.6 78 77 A K H X S+ 0 0 81 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.871 111.1 51.6 -66.5 -35.4 26.0 39.5 74.6 79 78 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.954 113.0 42.6 -65.4 -49.8 23.6 36.6 73.8 80 79 A V H X S+ 0 0 29 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.887 113.7 53.1 -64.9 -37.9 20.5 38.7 73.7 81 80 A D H < S+ 0 0 109 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.885 115.2 42.0 -62.6 -39.9 22.3 41.5 71.8 82 81 A H H < S+ 0 0 100 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.942 127.4 25.8 -74.5 -51.1 23.4 39.0 69.2 83 82 A F H < S- 0 0 30 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.566 96.9-128.5 -92.8 -13.8 20.3 36.9 68.6 84 83 A G S < S+ 0 0 62 -4,-1.9 2,-0.3 -5,-0.4 -4,-0.2 0.345 79.5 33.0 84.7 -6.9 17.8 39.5 69.7 85 84 A R - 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