==== 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 30-NOV-08 2W4Q . COMPND 2 MOLECULE: PROSTAGLANDIN REDUCTASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.SHAFQAT,W.W.YUE,E.UGOCHUKWU,S.PICAUD,F.NIESEN,C.ARROWSMITH . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 10.3 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 . 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 . 22 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 13.5 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 . 8 2.3 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 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 . 2 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 0 123 0, 0.0 2,-0.2 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 135.8 -5.1 -28.7 45.9 2 1 A M E -A 31 0A 59 29,-0.6 29,-3.0 1,-0.0 2,-0.4 -0.578 360.0-118.3 -85.7 156.0 -6.5 -27.6 42.6 3 2 A I E +A 30 0A 89 27,-0.2 2,-0.2 -2,-0.2 27,-0.2 -0.791 34.3 176.8 -98.3 131.9 -5.1 -28.8 39.3 4 3 A V E -A 29 0A 4 25,-3.2 25,-2.6 -2,-0.4 2,-0.3 -0.757 26.7-110.9-124.3 174.0 -3.6 -26.2 36.9 5 4 A Q E +A 28 0A 58 -2,-0.2 101,-2.1 23,-0.2 2,-0.3 -0.854 33.2 174.7-108.5 148.7 -1.8 -26.5 33.5 6 5 A R E -AB 27 105A 66 21,-2.4 21,-2.6 -2,-0.3 2,-0.5 -0.961 25.1-127.1-145.5 164.3 1.8 -25.9 32.7 7 6 A V E -A 26 0A 2 97,-2.5 68,-2.5 -2,-0.3 97,-0.3 -0.957 24.8-177.3-118.8 128.7 4.3 -26.2 29.9 8 7 A V E -AC 25 74A 0 17,-2.8 17,-2.3 -2,-0.5 2,-0.7 -0.810 39.6 -95.3-117.6 158.4 7.7 -28.0 30.2 9 8 A L E -Ad 24 71A 0 64,-1.6 63,-3.9 61,-0.6 15,-0.3 -0.694 40.3-178.6 -75.3 117.2 10.5 -28.4 27.7 10 9 A N - 0 0 64 13,-2.2 2,-0.3 -2,-0.7 14,-0.2 0.848 59.4 -20.9 -88.0 -41.0 9.8 -31.8 26.1 11 10 A S - 0 0 40 12,-1.5 -1,-0.3 60,-0.0 14,-0.0 -0.968 62.3-109.3-161.5 167.7 12.8 -32.1 23.8 12 11 A R - 0 0 51 -2,-0.3 46,-0.1 -3,-0.1 3,-0.1 -0.863 10.9-147.4-108.6 142.3 15.5 -30.0 22.0 13 12 A P - 0 0 29 0, 0.0 5,-0.2 0, 0.0 3,-0.1 0.585 52.4-106.5 -78.5 -8.6 15.5 -29.4 18.3 14 13 A G > - 0 0 36 43,-0.2 3,-2.2 3,-0.1 44,-0.1 0.175 32.3 -85.4 86.3 144.7 19.4 -29.4 18.2 15 14 A K T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -3,-0.1 43,-0.1 0.694 134.1 39.4 -59.3 -22.9 21.5 -26.2 17.8 16 15 A N T 3 S+ 0 0 104 -3,-0.1 -1,-0.3 247,-0.1 -2,-0.1 0.320 103.9 99.8-103.8 4.7 21.2 -26.6 14.0 17 16 A G S < S- 0 0 18 -3,-2.2 -3,-0.1 1,-0.1 244,-0.0 -0.360 74.2-110.6 -90.9 168.2 17.5 -27.7 14.1 18 17 A N - 0 0 119 -5,-0.2 2,-0.2 -2,-0.1 -2,-0.1 -0.794 34.7-117.5 -93.5 136.8 14.2 -26.0 13.6 19 18 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 -7,-0.0 -0.510 34.6-173.1 -72.7 145.7 11.9 -25.5 16.6 20 19 A V > - 0 0 63 -2,-0.2 3,-2.2 1,-0.1 4,-0.2 -0.941 39.6-105.4-134.8 158.8 8.5 -27.2 16.5 21 20 A A G > S+ 0 0 32 -2,-0.3 3,-1.5 1,-0.3 307,-0.1 0.833 115.4 63.5 -47.4 -35.8 5.4 -27.2 18.7 22 21 A E G 3 S+ 0 0 128 1,-0.3 -1,-0.3 305,-0.1 306,-0.0 0.493 76.9 80.3 -82.3 -3.5 6.4 -30.6 20.1 23 22 A N G < S+ 0 0 7 -3,-2.2 -13,-2.2 -13,-0.1 -12,-1.5 0.580 97.3 59.2 -68.1 -9.3 9.6 -29.4 21.7 24 23 A F E < S-A 9 0A 16 -3,-1.5 2,-0.4 -15,-0.3 -15,-0.2 -0.902 71.9-164.0-119.9 152.6 7.1 -28.3 24.4 25 24 A R E -A 8 0A 77 -17,-2.3 -17,-2.8 -2,-0.3 2,-0.3 -0.999 13.7-135.0-141.0 137.0 4.7 -30.4 26.4 26 25 A M E -A 7 0A 71 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.656 26.1-178.8 -87.5 141.8 1.6 -29.5 28.5 27 26 A E E -A 6 0A 47 -21,-2.6 -21,-2.4 -2,-0.3 2,-0.5 -0.970 26.1-129.1-135.6 156.5 1.1 -31.1 31.9 28 27 A E E +A 5 0A 130 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.927 36.9 172.7-102.4 133.7 -1.5 -31.0 34.6 29 28 A V E -A 4 0A 28 -25,-2.6 -25,-3.2 -2,-0.5 2,-0.2 -0.949 33.9-103.0-139.1 155.0 -0.1 -30.3 38.1 30 29 A Y E -A 3 0A 140 -2,-0.3 -27,-0.2 -27,-0.2 -28,-0.0 -0.574 26.5-144.0 -75.6 142.2 -1.3 -29.5 41.6 31 30 A L E -A 2 0A 8 -29,-3.0 -29,-0.6 -2,-0.2 77,-0.1 -0.951 28.7-111.9-103.6 125.7 -1.2 -26.0 42.8 32 31 A P - 0 0 70 0, 0.0 -30,-0.0 0, 0.0 0, 0.0 -0.309 15.3-141.5 -55.0 136.8 -0.3 -25.8 46.5 33 32 A D S S+ 0 0 124 2,-0.0 2,-0.4 1,-0.0 -2,-0.0 0.542 81.6 55.7 -78.4 -13.2 -3.2 -24.5 48.7 34 33 A N - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 -0.970 63.5-161.8-127.2 141.1 -0.9 -22.4 51.0 35 34 A I - 0 0 5 -2,-0.4 2,-0.2 4,-0.1 3,-0.1 -0.849 18.5-125.5-113.5 155.8 1.7 -19.7 50.3 36 35 A N > - 0 0 108 -2,-0.3 3,-2.3 1,-0.2 51,-0.2 -0.529 41.5 -73.8 -93.5 162.5 4.5 -18.5 52.6 37 36 A E T 3 S+ 0 0 152 1,-0.3 51,-0.2 -2,-0.2 -1,-0.2 -0.251 123.2 27.6 -47.1 139.0 5.4 -15.0 53.8 38 37 A G T 3 S+ 0 0 19 49,-2.4 74,-2.6 1,-0.3 75,-0.4 0.250 104.5 106.4 84.2 -12.1 6.8 -13.0 50.9 39 38 A Q E < -E 111 0B 52 -3,-2.3 48,-2.6 72,-0.2 2,-0.3 -0.588 49.1-162.6-100.8 162.8 4.9 -15.0 48.3 40 39 A V E -EF 110 86B 0 70,-2.6 70,-2.2 46,-0.2 2,-0.5 -0.924 17.4-134.9-133.9 155.3 1.9 -14.3 46.1 41 40 A Q E -EF 109 85B 28 44,-2.8 43,-3.4 -2,-0.3 44,-1.4 -0.988 32.6-172.0-111.0 122.7 -0.5 -16.5 44.2 42 41 A V E -EF 108 83B 0 66,-2.9 66,-2.0 -2,-0.5 2,-0.6 -0.863 23.3-138.9-118.3 147.6 -1.0 -15.0 40.7 43 42 A R E -EF 107 82B 66 39,-2.9 39,-2.1 -2,-0.3 2,-0.3 -0.946 30.1-127.0-101.9 125.6 -3.4 -15.8 37.9 44 43 A T E + F 0 81B 0 62,-2.8 37,-0.2 -2,-0.6 3,-0.1 -0.545 33.0 171.2 -76.0 129.2 -1.6 -15.6 34.5 45 44 A L E + 0 0 9 35,-2.5 301,-2.4 1,-0.4 302,-1.4 0.823 63.6 6.2-104.9 -49.1 -3.3 -13.4 31.9 46 45 A Y E -GF 345 80B 50 34,-1.8 34,-2.2 299,-0.3 -1,-0.4 -0.988 57.7-163.3-138.1 145.1 -0.8 -13.1 29.0 47 46 A L E -GF 344 79B 0 297,-2.6 297,-2.4 -2,-0.3 2,-0.3 -0.971 15.7-134.8-126.2 145.9 2.5 -14.7 28.1 48 47 A S E -G 343 0B 3 30,-2.6 2,-0.4 -2,-0.4 295,-0.2 -0.705 7.4-160.4 -91.6 144.9 5.0 -13.6 25.6 49 48 A V + 0 0 1 293,-1.0 293,-0.3 -2,-0.3 28,-0.0 -0.971 21.9 176.1-114.5 142.5 6.9 -15.7 23.0 50 49 A D > - 0 0 26 -2,-0.4 3,-1.8 1,-0.1 4,-0.3 -0.990 41.4-112.4-144.4 151.1 10.0 -14.1 21.7 51 50 A P T > S+ 0 0 41 0, 0.0 3,-2.5 0, 0.0 4,-0.4 0.852 108.8 68.1 -56.2 -37.5 12.9 -15.1 19.3 52 51 A Y T >> S+ 0 0 68 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.760 84.3 75.9 -55.8 -25.4 15.6 -15.2 22.0 53 52 A M H <> S+ 0 0 0 -3,-1.8 4,-0.7 1,-0.3 3,-0.4 0.758 77.8 72.9 -56.9 -25.5 13.7 -18.2 23.4 54 53 A R H X4 S+ 0 0 4 -3,-2.5 3,-0.9 -4,-0.3 4,-0.4 0.893 95.1 52.7 -53.6 -43.1 15.2 -20.3 20.6 55 54 A C H X4 S+ 0 0 33 -3,-1.3 3,-1.2 -4,-0.4 -1,-0.2 0.826 101.5 58.0 -61.0 -36.6 18.5 -20.1 22.4 56 55 A R H 3< S+ 0 0 11 -4,-0.7 13,-3.3 -3,-0.4 -1,-0.2 0.617 96.3 65.5 -75.3 -10.2 17.1 -21.3 25.7 57 56 A M T << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.7 -43,-0.2 0.709 92.5 78.7 -78.2 -20.0 16.0 -24.5 23.8 58 57 A N S < S- 0 0 24 -3,-1.2 11,-0.2 -4,-0.4 3,-0.1 -0.493 88.9-119.6 -88.4 160.9 19.7 -25.4 23.3 59 58 A E S S+ 0 0 160 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.825 110.0 34.3 -65.1 -36.0 22.0 -27.0 25.8 60 59 A D - 0 0 121 1,-0.1 -1,-0.2 7,-0.1 -2,-0.1 -0.986 69.6-161.3-118.6 119.4 24.2 -23.9 25.5 61 60 A T - 0 0 16 -2,-0.5 -1,-0.1 5,-0.2 -5,-0.1 0.676 36.1-127.3 -70.0 -16.9 22.5 -20.6 24.9 62 61 A G S S+ 0 0 64 1,-0.1 2,-0.3 -7,-0.0 204,-0.2 0.449 82.4 66.1 81.3 2.5 25.7 -19.1 23.7 63 62 A T S > S- 0 0 57 3,-0.4 3,-1.1 -8,-0.1 -2,-0.1 -0.980 73.9-135.6-158.6 142.9 25.4 -16.2 26.2 64 63 A D T 3 S+ 0 0 169 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.554 95.9 78.4 -71.7 -11.6 25.4 -15.6 29.9 65 64 A Y T 3 S+ 0 0 121 1,-0.2 2,-0.3 -4,-0.0 -1,-0.2 0.770 104.5 25.7 -71.1 -23.8 22.4 -13.3 29.7 66 65 A I S < S- 0 0 23 -3,-1.1 -3,-0.4 -11,-0.0 -5,-0.2 -0.998 75.5-143.1-142.7 144.9 20.0 -16.2 29.4 67 66 A T - 0 0 85 -2,-0.3 2,-0.1 1,-0.1 -7,-0.1 -0.644 30.6 -93.4-108.7 157.6 20.3 -19.8 30.6 68 67 A P - 0 0 39 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.438 34.9-120.4 -72.4 143.3 19.2 -23.0 28.9 69 68 A W - 0 0 8 -13,-3.3 2,-0.4 -11,-0.2 6,-0.1 -0.472 31.6-126.6 -71.0 153.3 15.8 -24.5 29.8 70 69 A Q > - 0 0 112 4,-0.2 3,-2.0 -2,-0.1 -61,-0.6 -0.865 26.8 -94.3-108.5 143.2 16.0 -28.0 31.2 71 70 A L B 3 S+d 9 0A 87 -2,-0.4 -61,-0.2 1,-0.3 3,-0.1 -0.214 108.4 5.5 -53.5 134.0 14.2 -31.0 29.9 72 71 A S T 3 S+ 0 0 64 -63,-3.9 2,-0.3 1,-0.2 -1,-0.3 0.491 102.9 116.9 68.0 6.0 10.9 -31.6 31.8 73 72 A Q S < S- 0 0 42 -3,-2.0 -64,-1.6 -64,-0.2 -1,-0.2 -0.787 77.1 -91.9 -99.8 149.9 11.1 -28.4 33.8 74 73 A V B -C 8 0A 50 -2,-0.3 -66,-0.3 -66,-0.2 -4,-0.2 -0.255 42.1-134.8 -59.7 138.7 8.6 -25.6 33.5 75 74 A V - 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