==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-OCT-09 2WWP . COMPND 2 MOLECULE: PROSTAGLANDIN-H2 D-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.K.ROOS,L.TRESAUGUES,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA, . 299 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 74.2 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 . 128 42.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 29 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 0 0 0 0 0 0 0 2 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 2 2 0 2 6 2 2 2 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 2 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 0 151 0, 0.0 2,-0.1 0, 0.0 99,-0.0 0.000 360.0 360.0 360.0 -17.3 23.8 -12.0 19.8 2 29 A S - 0 0 90 85,-0.1 2,-0.4 1,-0.0 85,-0.0 -0.372 360.0-159.1 -66.0 139.3 22.2 -15.5 20.2 3 30 A V - 0 0 38 -2,-0.1 86,-0.3 84,-0.0 87,-0.1 -0.954 32.9 -93.1-120.1 138.0 22.5 -17.9 17.3 4 31 A Q > - 0 0 37 84,-2.8 3,-0.8 -2,-0.4 86,-0.1 -0.298 52.2-115.3 -47.1 117.2 20.3 -20.9 16.6 5 32 A P T 3 S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.268 93.1 8.5 -60.7 143.4 22.2 -23.9 18.2 6 33 A N T 3 S- 0 0 137 1,-0.2 65,-0.1 -3,-0.1 -2,-0.1 0.859 92.6-155.3 53.0 42.2 23.5 -26.6 15.9 7 34 A F < - 0 0 7 -3,-0.8 2,-0.7 63,-0.3 -1,-0.2 -0.221 10.4-157.4 -56.1 129.9 22.6 -24.5 12.9 8 35 A Q >> - 0 0 62 1,-0.2 3,-1.0 -3,-0.1 4,-0.9 -0.827 8.0-173.4-113.7 90.2 21.9 -26.5 9.7 9 36 A Q H >> S+ 0 0 49 -2,-0.7 3,-0.7 1,-0.3 4,-0.5 0.834 82.5 57.7 -57.2 -35.6 22.4 -24.1 6.8 10 37 A D H >4 S+ 0 0 114 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.849 105.7 50.8 -65.2 -32.4 21.2 -26.7 4.2 11 38 A K H <4 S+ 0 0 117 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.690 104.3 59.4 -76.4 -19.0 17.9 -27.0 6.0 12 39 A F H << S+ 0 0 5 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.554 86.8 105.3 -81.5 -11.7 17.5 -23.2 6.0 13 40 A L << + 0 0 48 -3,-0.7 2,-0.2 -4,-0.5 25,-0.2 -0.118 56.8 38.6 -68.0 163.9 17.6 -23.1 2.2 14 41 A G E S-A 37 0A 29 23,-3.2 23,-3.0 2,-0.0 2,-0.4 -0.590 93.0 -4.8 105.7-156.7 14.7 -22.5 -0.1 15 42 A R E +A 36 0A 147 21,-0.2 2,-0.3 -2,-0.2 21,-0.2 -0.655 57.9 165.5 -88.0 128.9 11.6 -20.4 -0.2 16 43 A W E -A 35 0A 0 19,-3.1 19,-3.2 -2,-0.4 2,-0.4 -0.910 26.6-136.4-131.5 163.4 10.6 -18.1 2.7 17 44 A F E -AB 34 118A 13 101,-2.4 101,-2.3 -2,-0.3 2,-0.9 -0.988 18.1-129.7-123.8 127.8 8.2 -15.2 3.2 18 45 A S E +AB 33 117A 10 15,-2.5 15,-0.6 -2,-0.4 99,-0.2 -0.674 38.2 166.9 -75.5 108.6 9.1 -12.1 5.1 19 46 A A E + 0 0 1 97,-2.6 129,-2.1 -2,-0.9 2,-0.3 0.542 54.2 6.3-107.9 -11.3 6.1 -11.9 7.4 20 47 A G E -CB 147 116A 0 96,-1.2 96,-2.8 127,-0.3 2,-0.3 -0.971 54.7-174.5-167.5 151.7 7.1 -9.3 10.0 21 48 A L E -CB 146 115A 20 125,-2.8 125,-3.4 -2,-0.3 2,-0.3 -0.993 8.6-169.7-149.2 155.6 9.7 -6.8 11.0 22 49 A A E +CB 145 114A 0 92,-2.1 92,-3.1 -2,-0.3 2,-0.3 -0.975 22.8 160.8-140.4 138.3 10.7 -4.4 13.7 23 50 A S E - B 0 113A 10 121,-0.8 90,-0.2 -2,-0.3 88,-0.0 -0.987 47.6-126.9-155.4 156.7 13.4 -1.8 13.3 24 51 A N S S+ 0 0 70 88,-1.7 2,-0.6 -2,-0.3 89,-0.1 0.144 88.1 90.7 -92.1 14.9 14.7 1.5 14.8 25 52 A S > - 0 0 22 87,-0.3 3,-1.1 1,-0.1 -1,-0.1 -0.939 64.8-157.4-113.8 107.0 14.6 3.1 11.3 26 53 A S T 3 S+ 0 0 123 -2,-0.6 -1,-0.1 1,-0.2 -3,-0.0 0.863 88.1 52.4 -49.3 -48.7 11.3 4.9 10.8 27 54 A W T 3 0 0 173 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.718 360.0 360.0 -69.6 -22.8 11.4 4.9 7.0 28 55 A L < 0 0 59 -3,-1.1 -1,-0.2 2,-0.0 -2,-0.2 0.845 360.0 360.0 -80.6 360.0 12.1 1.1 6.6 29 ! 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 30 62 A L 0 0 137 0, 0.0 2,-0.3 0, 0.0 117,-0.0 0.000 360.0 360.0 360.0-171.3 5.6 -2.5 3.5 31 63 A S - 0 0 64 117,-0.2 119,-0.2 0, 0.0 117,-0.1 -0.931 360.0 -74.9-136.4 166.1 4.0 -5.8 2.3 32 64 A M - 0 0 24 117,-2.3 2,-0.3 -2,-0.3 119,-0.3 -0.354 49.1-166.7 -63.7 137.9 5.0 -9.4 2.4 33 65 A C E -A 18 0A 34 -15,-0.6 -15,-2.5 18,-0.1 2,-0.4 -0.932 20.7-119.4-125.9 149.3 7.7 -10.5 -0.0 34 66 A K E -AD 17 50A 81 16,-0.5 16,-1.8 -2,-0.3 2,-0.4 -0.715 29.8-168.9 -83.3 135.3 9.0 -13.8 -1.2 35 67 A S E -AD 16 49A 0 -19,-3.2 -19,-3.1 -2,-0.4 2,-0.5 -0.965 9.5-155.7-122.1 145.0 12.6 -14.6 -0.4 36 68 A V E -AD 15 48A 60 12,-2.6 12,-3.0 -2,-0.4 2,-0.5 -0.989 7.0-157.4-120.5 125.5 14.7 -17.4 -1.8 37 69 A V E +AD 14 47A 3 -23,-3.0 -23,-3.2 -2,-0.5 10,-0.2 -0.920 22.4 162.8-104.8 123.5 17.7 -18.6 0.3 38 70 A A E - D 0 46A 40 8,-2.1 8,-3.4 -2,-0.5 -2,-0.0 -0.954 43.1 -86.2-137.5 157.1 20.4 -20.4 -1.7 39 71 A P E - D 0 45A 83 0, 0.0 2,-0.3 0, 0.0 6,-0.3 -0.326 39.2-140.4 -65.2 143.3 24.1 -21.3 -1.0 40 72 A A > - 0 0 9 4,-2.0 3,-2.2 24,-0.2 6,-0.0 -0.750 22.8-114.1-100.0 152.3 26.7 -18.7 -2.0 41 73 A T T 3 S+ 0 0 158 -2,-0.3 -1,-0.1 1,-0.3 4,-0.0 0.850 116.0 60.3 -48.1 -38.0 30.1 -19.6 -3.6 42 74 A D T 3 S- 0 0 66 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.308 124.7 -99.4 -78.7 8.5 31.7 -18.3 -0.3 43 75 A G S < S+ 0 0 45 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.292 98.9 90.4 90.5 -9.4 30.0 -20.9 1.9 44 76 A G S S- 0 0 0 22,-0.1 -4,-2.0 1,-0.1 2,-0.3 0.289 79.5 -75.8 -92.6-139.5 27.3 -18.4 3.0 45 77 A L E -DE 39 64A 1 19,-2.6 19,-3.5 -6,-0.3 2,-0.6 -0.971 14.7-146.3-134.7 141.9 23.9 -17.5 1.5 46 78 A N E -DE 38 63A 51 -8,-3.4 -8,-2.1 -2,-0.3 2,-0.7 -0.951 19.7-161.1 -99.5 121.6 22.3 -15.6 -1.3 47 79 A L E -DE 37 62A 15 15,-2.8 15,-2.6 -2,-0.6 2,-0.6 -0.911 7.8-171.1-107.0 110.2 19.0 -14.1 -0.3 48 80 A T E -DE 36 61A 40 -12,-3.0 -12,-2.6 -2,-0.7 2,-0.3 -0.920 5.6-177.7-110.2 117.6 16.9 -13.2 -3.3 49 81 A S E -DE 35 60A 25 11,-2.8 11,-2.7 -2,-0.6 2,-0.3 -0.838 8.0-159.1-115.1 151.8 13.8 -11.2 -2.6 50 82 A T E +DE 34 59A 18 -16,-1.8 -16,-0.5 -2,-0.3 2,-0.3 -0.936 11.1 173.7-128.9 149.5 11.1 -10.1 -5.0 51 83 A F E - E 0 58A 78 7,-1.7 7,-2.2 -2,-0.3 2,-0.4 -0.975 30.6-109.8-148.9 158.4 8.5 -7.3 -4.9 52 84 A L E + E 0 57A 120 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.736 28.6 175.9 -91.5 135.9 5.9 -5.8 -7.3 53 85 A R E > - E 0 56A 126 3,-3.0 3,-2.3 -2,-0.4 2,-0.4 -0.936 65.1 -48.8-136.2 124.3 6.2 -2.4 -8.8 54 86 A K T 3 S- 0 0 140 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.421 124.5 -18.5 53.8-109.3 3.6 -1.3 -11.3 55 87 A N T 3 S+ 0 0 27 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.270 124.0 75.9-107.4 7.9 3.4 -4.2 -13.8 56 88 A Q E < -E 53 0A 19 -3,-2.3 -3,-3.0 233,-0.1 2,-0.7 -0.900 68.9-131.3-132.1 153.4 6.7 -5.9 -13.0 57 89 A C E -E 52 0A 20 228,-2.7 -5,-0.2 -2,-0.3 2,-0.2 -0.896 27.8-153.2-102.8 106.7 8.4 -8.1 -10.4 58 90 A E E -E 51 0A 29 -7,-2.2 -7,-1.7 -2,-0.7 2,-0.4 -0.573 4.8-149.0 -80.8 145.5 11.7 -6.7 -9.3 59 91 A T E -E 50 0A 59 -2,-0.2 2,-0.4 -9,-0.2 -9,-0.2 -0.954 14.0-178.0-119.0 132.0 14.5 -9.0 -8.0 60 92 A R E -E 49 0A 120 -11,-2.7 -11,-2.8 -2,-0.4 2,-0.4 -0.994 9.3-157.1-129.1 136.6 17.2 -8.1 -5.4 61 93 A T E -E 48 0A 84 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.945 3.0-166.6-113.6 133.3 20.0 -10.4 -4.1 62 94 A M E -E 47 0A 63 -15,-2.6 -15,-2.8 -2,-0.4 2,-0.6 -0.986 14.9-143.3-115.0 122.6 21.8 -9.9 -0.8 63 95 A L E -E 46 0A 65 -2,-0.5 2,-0.7 -17,-0.2 13,-0.4 -0.775 11.5-162.9 -84.5 119.8 25.1 -11.9 -0.2 64 96 A L E -E 45 0A 8 -19,-3.5 -19,-2.6 -2,-0.6 11,-0.2 -0.920 12.2-156.1-104.7 105.0 25.3 -13.0 3.4 65 97 A Q E -F 74 0A 71 9,-2.8 9,-2.0 -2,-0.7 -22,-0.1 -0.577 27.4 -98.4 -82.8 141.8 28.9 -13.9 4.0 66 98 A P E -F 73 0A 66 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 -0.337 34.6-164.8 -57.3 143.6 29.9 -16.3 6.7 67 99 A A - 0 0 51 5,-1.9 6,-0.2 2,-0.5 3,-0.1 0.232 55.4 -72.7-122.6 12.9 31.0 -14.3 9.8 68 100 A G S S+ 0 0 83 4,-0.3 2,-0.3 1,-0.1 5,-0.1 0.159 110.6 55.6 123.1 -22.4 32.8 -16.9 12.0 69 101 A S S > S- 0 0 67 3,-0.3 3,-2.3 0, 0.0 -2,-0.5 -0.991 91.4 -94.7-140.1 146.9 30.0 -19.1 13.5 70 102 A L T 3 S+ 0 0 135 -2,-0.3 -63,-0.3 1,-0.3 3,-0.1 -0.389 114.6 24.5 -62.5 126.7 27.3 -21.1 11.8 71 103 A G T 3 S+ 0 0 0 1,-0.3 17,-2.7 -2,-0.1 2,-0.4 0.329 103.4 104.5 96.6 -7.0 24.0 -19.1 11.6 72 104 A S E < + G 0 87A 19 -3,-2.3 -5,-1.9 15,-0.2 -4,-0.3 -0.941 45.8 169.2-109.6 132.5 26.0 -15.8 11.7 73 105 A Y E -FG 66 86A 4 13,-3.3 13,-2.4 -2,-0.4 2,-0.4 -0.824 25.8-139.3-134.6 167.5 26.6 -13.7 8.6 74 106 A S E -FG 65 85A 29 -9,-2.0 -9,-2.8 -2,-0.3 2,-0.4 -0.995 13.6-163.9-129.6 141.4 27.9 -10.3 7.4 75 107 A Y E - G 0 84A 52 9,-2.8 9,-2.8 -2,-0.4 2,-0.5 -0.990 6.1-153.8-128.4 131.3 26.3 -8.1 4.7 76 108 A R E - G 0 83A 86 -2,-0.4 7,-0.2 -13,-0.4 -13,-0.2 -0.914 3.8-163.8-107.5 123.2 28.0 -5.2 3.0 77 109 A S E > > - G 0 82A 10 5,-3.2 5,-1.5 -2,-0.5 3,-0.7 -0.893 4.3-173.0-108.8 99.3 25.8 -2.5 1.6 78 110 A P G > 5S+ 0 0 106 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.892 84.8 56.2 -58.4 -40.2 27.9 -0.4 -0.9 79 111 A H G 3 5S+ 0 0 183 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.767 116.3 36.6 -65.5 -27.2 25.1 2.2 -1.4 80 112 A W G < 5S- 0 0 149 -3,-0.7 -1,-0.3 2,-0.2 28,-0.3 0.320 102.5-131.0-103.4 6.2 25.0 2.9 2.4 81 113 A G T < 5 + 0 0 53 -3,-1.1 2,-0.3 -4,-0.5 -2,-0.1 0.758 69.3 116.1 50.4 30.7 28.8 2.5 2.9 82 114 A S E < -G 77 0A 3 -5,-1.5 -5,-3.2 24,-0.2 2,-0.3 -0.866 58.0-143.6-132.9 155.6 28.0 0.1 5.8 83 115 A T E -GH 76 105A 43 22,-1.7 21,-3.0 -2,-0.3 22,-1.6 -0.928 20.2-164.4-115.1 145.4 28.4 -3.5 7.0 84 116 A Y E -GH 75 103A 29 -9,-2.8 -9,-2.8 -2,-0.3 2,-0.4 -0.977 16.3-133.5-132.8 143.1 25.8 -5.3 9.0 85 117 A S E -GH 74 102A 37 17,-3.3 17,-2.1 -2,-0.4 2,-0.4 -0.775 22.8-168.9 -93.5 140.6 25.8 -8.5 11.1 86 118 A V E -GH 73 101A 9 -13,-2.4 -13,-3.3 -2,-0.4 2,-0.4 -0.995 5.2-177.7-134.7 126.3 22.9 -10.9 10.4 87 119 A S E -GH 72 100A 9 13,-2.3 13,-2.0 -2,-0.4 2,-1.0 -0.971 30.4-134.6-127.5 137.9 22.1 -13.9 12.7 88 120 A V E - 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