==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-FEB-08 2VNA . COMPND 2 MOLECULE: PROSTAGLANDIN REDUCTASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.SHAFQAT,K.KAVANAGH,A.C.W.PIKE,J.R.C.MUNIZ,E.PILKA, . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 12.6 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 . 0 0.0 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 0.3 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 . 26 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.2 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 2 3 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 2 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 . 2 1 1 0 1 1 1 1 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 1 1 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 0 A M 0 0 124 0, 0.0 2,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 146.4 7.5 -29.0 11.5 2 1 A M E -A 31 0A 52 29,-1.2 29,-2.7 30,-0.2 2,-0.6 -0.488 360.0-120.9 -82.8 155.6 6.1 -27.8 8.2 3 2 A I E +A 30 0A 83 27,-0.2 27,-0.2 -2,-0.2 2,-0.2 -0.892 37.0 173.4-102.2 121.5 7.1 -29.3 4.9 4 3 A V E -A 29 0A 5 25,-2.4 25,-2.2 -2,-0.6 2,-0.3 -0.693 28.1-105.6-119.0 173.1 8.6 -26.8 2.4 5 4 A Q E -A 28 0A 71 23,-0.2 101,-1.8 -2,-0.2 2,-0.3 -0.706 31.5-175.7-108.1 158.2 10.3 -27.1 -1.0 6 5 A R E -AB 27 105A 56 21,-2.2 21,-2.7 -2,-0.3 2,-0.5 -0.991 20.3-140.4-153.4 145.3 13.9 -26.8 -1.9 7 6 A V E +A 26 0A 1 97,-2.2 68,-2.1 -2,-0.3 2,-0.3 -0.955 25.5 179.5-111.8 129.7 16.3 -26.7 -5.0 8 7 A V E -AC 25 74A 0 17,-2.8 17,-2.2 -2,-0.5 2,-0.9 -0.860 40.6 -93.0-122.6 161.8 19.7 -28.5 -4.7 9 8 A L E +Ad 24 71A 0 64,-1.8 63,-4.0 61,-0.6 15,-0.2 -0.663 41.4 178.3 -75.3 111.1 22.5 -29.0 -7.2 10 9 A N - 0 0 63 13,-2.0 2,-0.3 -2,-0.9 14,-0.2 0.855 60.0 -17.6 -81.8 -38.6 21.7 -32.3 -8.8 11 10 A S - 0 0 45 12,-1.8 -1,-0.3 60,-0.0 14,-0.0 -0.990 61.4-108.8-167.8 158.7 24.7 -32.5 -11.2 12 11 A R - 0 0 58 -2,-0.3 46,-0.1 1,-0.1 3,-0.1 -0.757 12.0-149.3 -99.4 139.0 27.4 -30.5 -13.0 13 12 A P - 0 0 27 0, 0.0 5,-0.2 0, 0.0 3,-0.1 0.613 51.3-112.0 -80.6 -8.8 27.3 -29.7 -16.7 14 13 A G > - 0 0 35 43,-0.4 3,-3.0 1,-0.1 44,-0.1 0.258 33.2 -77.6 86.1 145.3 31.1 -29.8 -16.8 15 14 A K T 3 S+ 0 0 68 1,-0.3 -1,-0.1 -3,-0.1 249,-0.1 0.720 134.8 35.1 -48.0 -33.0 33.4 -26.8 -17.5 16 15 A N T 3 S+ 0 0 112 246,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.241 102.7 104.0-105.3 12.4 32.6 -26.9 -21.2 17 16 A G S < S- 0 0 18 -3,-3.0 -3,-0.1 1,-0.1 0, 0.0 -0.469 72.4-107.6 -96.3 163.8 29.0 -28.0 -21.0 18 17 A N - 0 0 111 -5,-0.2 2,-0.3 -2,-0.1 -2,-0.1 -0.706 36.3-115.0 -85.9 139.5 25.6 -26.4 -21.4 19 18 A P - 0 0 4 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.590 37.8-170.8 -73.1 129.8 23.5 -25.7 -18.2 20 19 A V > - 0 0 47 -2,-0.3 3,-2.8 1,-0.1 4,-0.3 -0.912 37.2-113.1-125.9 152.4 20.3 -27.7 -18.1 21 20 A A G > S+ 0 0 22 -2,-0.3 3,-2.0 1,-0.3 307,-0.1 0.857 114.9 62.0 -40.1 -44.8 17.2 -27.7 -15.9 22 21 A E G 3 S+ 0 0 124 1,-0.3 -1,-0.3 305,-0.1 306,-0.0 0.453 78.8 80.9 -75.0 -0.8 18.2 -31.2 -14.7 23 22 A N G < S+ 0 0 7 -3,-2.8 -13,-2.0 -13,-0.1 -12,-1.8 0.647 95.9 61.3 -71.9 -11.8 21.4 -29.9 -13.2 24 23 A F E < S-A 9 0A 17 -3,-2.0 2,-0.4 -4,-0.3 -15,-0.2 -0.852 71.4-161.1-116.2 150.7 18.9 -28.9 -10.5 25 24 A R E -A 8 0A 70 -17,-2.2 -17,-2.8 -2,-0.3 2,-0.2 -0.996 13.1-136.0-136.8 130.4 16.7 -31.1 -8.3 26 25 A M E +A 7 0A 71 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.588 30.2 171.7 -76.4 142.1 13.6 -30.3 -6.2 27 26 A E E -A 6 0A 53 -21,-2.7 -21,-2.2 -2,-0.2 2,-0.4 -0.918 28.0-127.1-141.0 168.5 13.3 -31.7 -2.8 28 27 A E E +A 5 0A 131 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.987 30.5 173.6-119.5 134.5 11.1 -31.4 0.3 29 28 A V E -A 4 0A 33 -25,-2.2 -25,-2.4 -2,-0.4 2,-0.3 -0.831 32.8-103.1-129.5 168.2 12.5 -30.7 3.7 30 29 A Y E -A 3 0A 150 -2,-0.3 -27,-0.2 -27,-0.2 -2,-0.0 -0.747 24.3-146.4 -90.1 143.6 11.1 -29.9 7.1 31 30 A L E -A 2 0A 11 -29,-2.7 -29,-1.2 -2,-0.3 77,-0.1 -0.962 27.1-117.2-106.9 122.0 11.2 -26.3 8.4 32 31 A P - 0 0 53 0, 0.0 -30,-0.2 0, 0.0 3,-0.0 -0.045 8.8-138.4 -54.5 159.4 11.8 -26.2 12.2 33 32 A D S S+ 0 0 119 -32,-0.1 2,-0.4 1,-0.0 -2,-0.0 0.621 84.6 58.0 -96.2 -17.1 9.0 -24.7 14.4 34 33 A N - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.909 62.7-166.7-115.4 141.8 11.5 -22.8 16.6 35 34 A I - 0 0 8 -2,-0.4 2,-0.2 4,-0.1 3,-0.1 -0.804 18.0-127.1-114.9 167.1 14.1 -20.1 15.7 36 35 A N > - 0 0 102 -2,-0.3 3,-1.6 1,-0.2 51,-0.3 -0.512 37.2 -70.8-106.9 174.0 16.9 -18.8 17.8 37 36 A E T 3 S+ 0 0 174 1,-0.2 51,-0.2 -2,-0.2 -1,-0.2 -0.296 120.1 23.5 -59.0 149.5 18.2 -15.4 18.9 38 37 A G T 3 S+ 0 0 22 49,-2.3 74,-2.7 1,-0.2 75,-0.3 0.282 108.6 102.5 75.9 -12.0 19.7 -13.3 16.1 39 38 A Q E < -E 111 0B 59 -3,-1.6 48,-2.5 72,-0.2 2,-0.3 -0.641 50.0-168.3-102.8 159.9 17.8 -15.4 13.6 40 39 A V E -EF 110 86B 0 70,-2.3 70,-2.6 46,-0.2 2,-0.5 -0.961 18.0-131.5-139.8 157.0 14.6 -14.7 11.6 41 40 A Q E -EF 109 85B 25 44,-2.9 43,-2.8 -2,-0.3 44,-1.4 -0.963 28.2-169.0-115.7 128.6 12.3 -16.8 9.5 42 41 A V E -EF 108 83B 0 66,-2.8 66,-2.2 -2,-0.5 2,-0.6 -0.849 24.0-137.9-119.6 143.8 11.4 -15.6 6.1 43 42 A R E -EF 107 82B 79 39,-2.8 39,-2.2 -2,-0.3 2,-0.2 -0.913 35.2-126.3 -94.7 122.1 8.9 -16.4 3.4 44 43 A T E + F 0 81B 0 62,-2.5 37,-0.2 -2,-0.6 3,-0.1 -0.466 32.5 173.9 -71.7 129.8 10.7 -16.3 0.0 45 44 A L E + 0 0 15 35,-2.4 301,-2.5 1,-0.4 302,-1.0 0.869 62.2 3.6-104.2 -52.3 9.0 -14.0 -2.5 46 45 A Y E -GF 345 80B 49 34,-2.0 34,-2.3 299,-0.2 -1,-0.4 -0.992 56.2-160.6-134.3 147.2 11.3 -13.8 -5.5 47 46 A L E -GF 344 79B 0 297,-2.1 297,-2.4 -2,-0.3 2,-0.2 -0.977 15.3-136.9-122.7 143.0 14.6 -15.4 -6.6 48 47 A S E -G 343 0B 3 30,-2.3 2,-0.4 -2,-0.4 295,-0.2 -0.615 4.6-156.1 -87.5 146.9 17.1 -14.2 -9.2 49 48 A V - 0 0 1 293,-1.2 293,-0.3 -2,-0.2 28,-0.0 -0.992 23.9-179.9-116.7 138.4 18.9 -16.3 -11.7 50 49 A D > - 0 0 9 -2,-0.4 3,-1.4 291,-0.1 4,-0.2 -0.966 39.4-118.7-140.5 147.1 22.1 -14.6 -13.0 51 50 A P T > S+ 0 0 41 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.721 109.3 66.4 -59.5 -28.5 24.9 -15.4 -15.4 52 51 A Y T >> S+ 0 0 68 1,-0.3 3,-0.8 2,-0.2 4,-0.7 0.755 87.7 71.7 -66.0 -22.0 27.6 -15.4 -12.7 53 52 A M H <> S+ 0 0 0 -3,-1.4 4,-0.6 1,-0.2 -1,-0.3 0.711 79.2 78.0 -62.6 -20.2 25.8 -18.5 -11.4 54 53 A R H X4 S+ 0 0 1 -3,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.930 92.7 47.5 -57.3 -46.1 27.2 -20.4 -14.3 55 54 A C H X4 S+ 0 0 30 -3,-0.8 3,-2.1 -4,-0.4 -1,-0.2 0.834 100.3 66.1 -67.9 -31.5 30.7 -20.7 -12.8 56 55 A R H 3< S+ 0 0 16 -4,-0.7 13,-2.1 1,-0.3 -1,-0.3 0.662 92.8 63.8 -63.1 -17.7 29.2 -21.9 -9.4 57 56 A M T << S+ 0 0 0 -3,-1.3 -43,-0.4 -4,-0.6 -1,-0.3 0.548 91.6 80.5 -82.9 -8.8 28.1 -25.0 -11.2 58 57 A N S < S- 0 0 20 -3,-2.1 11,-0.1 -4,-0.2 3,-0.1 -0.554 92.3-116.3 -88.0 164.3 31.7 -25.9 -12.0 59 58 A E S S+ 0 0 165 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.814 107.4 32.6 -69.2 -32.9 33.9 -27.6 -9.4 60 59 A D - 0 0 116 1,-0.1 -1,-0.2 7,-0.1 7,-0.1 -0.993 64.2-164.5-123.1 134.0 36.1 -24.6 -9.4 61 60 A T - 0 0 20 -2,-0.4 -1,-0.1 5,-0.3 6,-0.1 0.720 37.4-128.0 -84.6 -24.1 34.8 -21.1 -10.0 62 61 A G S S+ 0 0 60 1,-0.1 2,-0.3 4,-0.1 204,-0.2 0.813 78.3 71.5 80.7 32.7 38.2 -19.7 -10.7 63 62 A T S > S- 0 0 46 3,-0.4 3,-0.9 1,-0.1 -2,-0.2 -0.861 73.2-133.0-175.2 138.2 38.0 -16.8 -8.2 64 63 A D T 3 S+ 0 0 166 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.923 101.7 66.5 -60.2 -46.3 38.0 -16.3 -4.4 65 64 A Y T 3 S+ 0 0 92 1,-0.1 2,-0.4 -4,-0.0 -1,-0.2 0.656 104.8 47.5 -57.3 -16.3 34.9 -14.0 -4.4 66 65 A I < - 0 0 38 -3,-0.9 -3,-0.4 -11,-0.0 -5,-0.3 -0.987 69.2-159.9-131.7 128.4 32.7 -16.9 -5.6 67 66 A T - 0 0 86 -2,-0.4 2,-0.1 -6,-0.1 -7,-0.1 -0.810 28.0-107.8-103.9 146.6 32.5 -20.4 -4.2 68 67 A P - 0 0 31 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.389 31.2-112.1 -71.1 143.3 31.1 -23.4 -6.1 69 68 A W - 0 0 8 -13,-2.1 2,-0.3 -11,-0.1 6,-0.1 -0.439 34.2-126.3 -63.2 149.9 27.7 -24.9 -5.2 70 69 A Q > - 0 0 104 4,-0.2 3,-1.3 -2,-0.1 -61,-0.6 -0.759 26.0 -98.9 -99.1 149.2 28.0 -28.4 -3.8 71 70 A L B 3 S+d 9 0A 81 -2,-0.3 -61,-0.2 1,-0.2 3,-0.1 -0.391 106.1 7.5 -64.6 137.9 26.1 -31.4 -5.1 72 71 A S T 3 S+ 0 0 67 -63,-4.0 2,-0.4 1,-0.2 -1,-0.2 0.418 105.7 115.1 71.2 -5.2 23.0 -32.3 -3.2 73 72 A Q S < S- 0 0 65 -3,-1.3 -64,-1.8 -64,-0.2 -1,-0.2 -0.781 79.2 -94.3 -96.7 142.7 23.4 -29.1 -1.2 74 73 A V B -C 8 0A 52 -2,-0.4 -66,-0.3 -66,-0.2 -4,-0.2 -0.214 40.1-126.6 -53.7 136.1 20.8 -26.3 -1.4 75 74 A V - 0 0 0 -68,-2.1 29,-3.5 29,-0.2 2,-0.3 -0.532 26.0-164.2 -84.7 155.4 21.6 -23.6 -3.9 76 75 A D E + H 0 103B 31 27,-0.3 2,-0.3 -2,-0.2 25,-0.1 -0.960 21.3 127.0-138.2 154.7 21.7 -19.9 -3.0 77 76 A G E - H 0 102B 0 25,-1.7 25,-2.6 -2,-0.3 22,-0.1 -0.966 59.0 -15.3-179.4-167.6 21.6 -16.5 -4.7 78 77 A G E + 0 0 10 -2,-0.3 -30,-2.3 23,-0.2 2,-0.3 -0.224 68.9 162.7 -53.2 132.9 19.9 -13.1 -4.9 79 78 A G E -FH 47 99B 0 20,-2.2 20,-1.5 -32,-0.2 2,-0.4 -0.997 31.6-154.1-152.8 157.6 16.6 -13.0 -3.2 80 79 A I E +FH 46 98B 0 -34,-2.3 -35,-2.4 -2,-0.3 -34,-2.0 -0.996 28.8 149.9-132.4 140.3 13.8 -10.9 -1.7 81 80 A G E -FH 44 97B 0 16,-2.6 16,-3.0 -2,-0.4 2,-0.4 -0.979 38.8-105.6-160.0 171.4 11.3 -12.0 1.0 82 81 A I E -FH 43 96B 37 -39,-2.2 -39,-2.8 -2,-0.3 2,-0.2 -0.901 33.1-116.9-114.7 135.4 9.1 -11.0 3.8 83 82 A I E +F 42 0B 2 12,-2.4 11,-2.6 -2,-0.4 -41,-0.2 -0.467 26.4 179.1 -69.4 128.4 9.8 -11.7 7.5 84 83 A E E S- 0 0 36 -43,-2.8 2,-0.3 1,-0.4 -42,-0.2 0.647 74.3 -4.5-100.4 -23.4 7.2 -14.0 9.1 85 84 A E E -F 41 0B 77 -44,-1.4 -44,-2.9 7,-0.1 -1,-0.4 -0.935 68.3-167.3-164.9 147.6 8.9 -14.0 12.5 86 85 A S E +F 40 0B 29 -2,-0.3 -46,-0.2 -46,-0.2 7,-0.2 -0.999 29.2 179.5-146.0 143.2 12.1 -12.5 14.0 87 86 A K + 0 0 90 -48,-2.5 -49,-2.3 -2,-0.3 2,-0.5 -0.155 64.6 107.9-120.4 29.7 14.3 -12.7 17.0 88 87 A H > - 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