==== 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 25-OCT-04 1XU7 . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE, ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.J.HOSFIELD,Y.WU,R.J.SKENE,M.HILGER,A.JENNINGS,G.P.SNELL, . 1048 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 790 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 143 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 82 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 437 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 3.4 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 0 0 2 6 0 0 1 7 4 4 4 4 0 4 0 0 0 0 0 3 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 1 3 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 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 21 A Q 0 0 206 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 108.5 -44.5 -65.0 -32.8 2 22 A P - 0 0 67 0, 0.0 2,-0.5 0, 0.0 230,-0.2 -0.391 360.0 -98.1 -76.1 156.2 -48.3 -64.6 -33.0 3 23 A L - 0 0 78 228,-2.8 2,-1.7 1,-0.1 230,-0.0 -0.646 25.7-141.9 -76.3 123.1 -50.1 -63.3 -36.1 4 24 A N + 0 0 168 -2,-0.5 2,-0.3 -3,-0.0 -1,-0.1 -0.349 69.2 92.7 -83.2 56.8 -50.8 -59.5 -35.7 5 25 A E S S- 0 0 115 -2,-1.7 2,-0.2 226,-0.1 -2,-0.1 -0.947 80.9 -98.9-142.4 159.3 -54.2 -59.8 -37.4 6 26 A E - 0 0 175 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.548 52.3 -97.0 -74.1 147.3 -57.8 -60.3 -36.5 7 27 A F - 0 0 41 -2,-0.2 -1,-0.1 2,-0.0 220,-0.1 -0.451 39.3-170.8 -67.1 135.9 -59.1 -63.9 -36.9 8 28 A R > - 0 0 108 -2,-0.2 3,-2.1 219,-0.1 4,-0.2 -0.995 28.5-134.6-124.3 136.1 -61.0 -64.7 -40.1 9 29 A P G > S+ 0 0 67 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.764 104.9 70.7 -56.4 -25.2 -62.8 -68.0 -40.6 10 30 A E G > S+ 0 0 115 1,-0.3 3,-0.7 2,-0.2 -3,-0.0 0.639 77.7 78.5 -67.0 -17.8 -61.1 -68.1 -44.0 11 31 A M G < S+ 0 0 29 -3,-2.1 -1,-0.3 1,-0.2 -4,-0.0 0.724 98.3 43.1 -61.3 -23.8 -57.8 -68.8 -42.2 12 32 A L G X S+ 0 0 4 -3,-1.5 3,-2.2 -4,-0.2 -1,-0.2 0.509 82.5 124.3-101.9 -8.1 -58.9 -72.4 -41.9 13 33 A Q T < S- 0 0 134 -3,-0.7 26,-0.2 -4,-0.3 25,-0.2 -0.353 91.0 -3.7 -57.6 120.9 -60.3 -72.9 -45.4 14 34 A G T 3 S+ 0 0 34 24,-2.1 -1,-0.3 1,-0.3 25,-0.2 0.482 98.7 142.1 73.5 3.1 -58.6 -75.8 -47.0 15 35 A K < - 0 0 93 -3,-2.2 25,-3.2 19,-0.1 2,-0.7 -0.491 52.9-125.9 -76.0 148.2 -56.4 -76.3 -44.0 16 36 A K E +a 40 0A 52 23,-0.2 78,-3.2 -2,-0.2 79,-2.0 -0.866 37.4 177.3-102.8 113.3 -55.6 -79.9 -43.0 17 37 A V E -ab 41 95A 0 23,-3.0 25,-2.3 -2,-0.7 2,-0.4 -0.956 23.9-156.5-127.9 132.9 -56.4 -80.4 -39.3 18 38 A I E -ab 42 96A 0 77,-2.4 79,-2.8 -2,-0.4 2,-0.4 -0.894 12.5-171.3 -98.6 134.3 -56.3 -83.4 -36.9 19 39 A V E -ab 43 97A 0 23,-2.3 25,-1.7 -2,-0.4 3,-0.4 -0.985 5.4-161.3-123.9 121.6 -58.6 -83.2 -33.9 20 40 A T S S+ 0 0 0 77,-2.2 25,-0.2 -2,-0.4 23,-0.0 -0.618 75.5 27.1 -95.6 162.8 -58.3 -85.8 -31.1 21 41 A G S S+ 0 0 17 23,-0.5 6,-0.5 -2,-0.2 3,-0.4 0.903 83.4 142.8 53.4 44.6 -60.9 -86.6 -28.6 22 42 A A + 0 0 0 22,-2.4 23,-0.2 -3,-0.4 -1,-0.1 0.205 34.3 89.0-107.8 14.7 -63.4 -85.4 -31.2 23 43 A S S S- 0 0 15 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.676 104.3 -9.8 -82.7 -20.1 -66.3 -87.7 -30.8 24 44 A K S >> S+ 0 0 92 -3,-0.4 4,-1.6 30,-0.0 3,-0.6 -0.909 106.4 29.0-158.5-177.1 -68.0 -85.4 -28.2 25 45 A G H 3> S- 0 0 11 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 -0.143 118.4 -17.9 58.4-143.9 -67.4 -82.4 -26.0 26 46 A I H 3> S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.855 135.7 59.4 -65.0 -37.6 -65.0 -79.6 -27.0 27 47 A G H <> S+ 0 0 0 -3,-0.6 4,-2.4 -6,-0.5 -5,-0.3 0.917 106.5 46.1 -57.9 -48.5 -63.3 -81.9 -29.6 28 48 A R H X S+ 0 0 73 -4,-1.6 4,-2.3 -7,-0.4 -1,-0.2 0.906 112.2 51.4 -60.9 -44.0 -66.5 -82.5 -31.5 29 49 A E H X S+ 0 0 19 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.850 108.9 51.7 -62.5 -35.4 -67.4 -78.8 -31.4 30 50 A M H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.932 108.7 50.0 -66.3 -45.7 -63.9 -78.0 -32.8 31 51 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.907 111.5 49.9 -57.0 -42.1 -64.4 -80.5 -35.6 32 52 A Y H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.875 110.4 48.7 -66.4 -39.6 -67.8 -78.8 -36.4 33 53 A H H X S+ 0 0 26 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.931 112.5 48.1 -64.9 -45.3 -66.3 -75.3 -36.4 34 54 A L H <>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 4,-0.3 0.867 110.4 52.7 -62.7 -38.9 -63.5 -76.5 -38.7 35 55 A A H ><5S+ 0 0 0 -4,-2.2 3,-1.7 -5,-0.2 -2,-0.2 0.935 108.1 49.9 -58.4 -50.4 -66.1 -78.1 -40.9 36 56 A K H 3<5S+ 0 0 107 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.834 108.9 53.7 -57.5 -34.6 -68.1 -74.8 -41.1 37 57 A M T 3<5S- 0 0 21 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.483 119.2-112.6 -81.2 -4.3 -64.8 -73.1 -42.1 38 58 A G T < 5 + 0 0 15 -3,-1.7 -24,-2.1 -4,-0.3 -3,-0.2 0.766 62.8 153.5 79.1 27.7 -64.2 -75.6 -44.9 39 59 A A < - 0 0 0 -5,-2.7 25,-1.6 -26,-0.2 26,-1.0 -0.397 51.7-111.8 -79.8 160.4 -61.2 -77.3 -43.5 40 60 A H E -ac 16 65A 52 -25,-3.2 -23,-3.0 24,-0.2 2,-0.4 -0.868 45.3-167.3 -85.7 126.0 -60.0 -80.8 -44.1 41 61 A V E -ac 17 66A 1 24,-2.4 26,-1.7 -2,-0.5 2,-0.5 -0.962 25.4-173.3-125.4 134.9 -60.6 -82.7 -40.9 42 62 A V E -ac 18 67A 0 -25,-2.3 -23,-2.3 -2,-0.4 2,-0.3 -0.995 20.7-166.9-118.0 123.4 -59.5 -86.1 -39.5 43 63 A V E -ac 19 68A 2 24,-2.8 26,-1.8 -2,-0.5 2,-0.3 -0.782 4.9-172.0-110.4 152.0 -61.1 -86.9 -36.2 44 64 A T + 0 0 2 -25,-1.7 -22,-2.4 -2,-0.3 -23,-0.5 -0.981 22.0 128.6-146.2 158.2 -60.3 -89.6 -33.6 45 65 A A - 0 0 16 24,-0.5 26,-2.1 -2,-0.3 24,-0.1 -0.874 64.9 -87.9 177.0 179.1 -61.4 -91.2 -30.4 46 66 A R S S+ 0 0 148 -2,-0.3 2,-0.7 24,-0.2 26,-0.1 0.856 101.9 76.2 -76.8 -34.4 -62.0 -94.8 -29.4 47 67 A S > - 0 0 39 1,-0.2 4,-2.0 24,-0.1 5,-0.2 -0.704 52.5-171.5 -93.4 111.8 -65.6 -95.2 -30.6 48 68 A K H > S+ 0 0 104 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.864 86.7 62.1 -61.0 -36.0 -66.2 -95.6 -34.3 49 69 A E H > S+ 0 0 99 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.903 109.9 36.9 -60.7 -45.9 -70.0 -95.2 -33.7 50 70 A T H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.872 115.1 55.4 -75.9 -36.2 -69.8 -91.7 -32.3 51 71 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.872 101.7 58.7 -62.4 -37.8 -67.0 -90.7 -34.7 52 72 A Q H X S+ 0 0 88 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.889 105.7 49.2 -57.2 -41.4 -69.3 -91.7 -37.6 53 73 A K H X S+ 0 0 156 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.873 110.7 49.8 -66.3 -39.8 -71.9 -89.2 -36.4 54 74 A V H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.931 112.1 47.6 -64.2 -46.6 -69.2 -86.4 -36.1 55 75 A V H X S+ 0 0 18 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.926 110.4 52.1 -60.6 -47.1 -67.9 -87.1 -39.7 56 76 A S H X S+ 0 0 66 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.919 113.4 43.8 -56.3 -47.0 -71.5 -87.2 -41.2 57 77 A H H X S+ 0 0 64 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.858 108.7 57.7 -69.8 -35.9 -72.3 -83.8 -39.6 58 78 A C H X>S+ 0 0 1 -4,-2.4 5,-2.1 2,-0.2 4,-0.9 0.919 107.6 47.8 -57.3 -45.1 -68.9 -82.3 -40.6 59 79 A L H ><5S+ 0 0 95 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.914 111.1 51.3 -61.6 -42.8 -69.7 -83.1 -44.2 60 80 A E H 3<5S+ 0 0 145 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.843 106.9 54.0 -60.9 -37.2 -73.1 -81.5 -43.8 61 81 A L H 3<5S- 0 0 52 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.638 128.1 -95.8 -76.2 -17.0 -71.6 -78.4 -42.4 62 82 A G T <<5 + 0 0 41 -4,-0.9 -3,-0.2 -3,-0.7 -2,-0.1 0.713 57.2 171.9 109.9 28.2 -69.3 -78.0 -45.4 63 83 A A < - 0 0 13 -5,-2.1 -23,-0.2 1,-0.1 3,-0.2 -0.375 39.4-131.1 -60.5 141.9 -66.0 -79.6 -44.5 64 84 A A S S- 0 0 56 -25,-1.6 2,-0.3 1,-0.3 -24,-0.2 0.886 91.9 -16.7 -61.3 -38.8 -63.6 -79.9 -47.5 65 85 A S E -c 40 0A 22 -26,-1.0 -24,-2.4 2,-0.0 2,-0.3 -0.950 67.2-164.4-157.5 155.5 -63.2 -83.4 -46.3 66 86 A A E +c 41 0A 4 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.974 17.0 156.1-147.0 131.7 -64.0 -85.3 -43.1 67 87 A H E -c 42 0A 81 -26,-1.7 -24,-2.8 -2,-0.3 2,-0.3 -0.976 23.2-144.7-148.8 156.4 -62.8 -88.7 -41.9 68 88 A Y E -c 43 0A 79 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.920 5.7-167.8-120.7 152.9 -62.3 -90.6 -38.7 69 89 A I - 0 0 18 -26,-1.8 -24,-0.5 -2,-0.3 2,-0.3 -0.962 23.1-147.2-132.3 121.8 -59.7 -93.2 -37.6 70 90 A A + 0 0 37 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.669 38.0 107.1 -95.6 144.2 -60.7 -94.9 -34.3 71 91 A G - 0 0 18 -26,-2.1 2,-0.4 -2,-0.3 -26,-0.1 -0.928 60.1 -81.8 170.1 172.9 -58.4 -96.2 -31.6 72 92 A T > - 0 0 37 -2,-0.3 3,-1.5 -26,-0.1 7,-0.2 -0.819 17.5-147.0-101.9 136.0 -57.0 -95.7 -28.1 73 93 A M T 3 S+ 0 0 11 -2,-0.4 53,-0.1 1,-0.3 -1,-0.1 0.279 93.6 81.4 -82.1 10.8 -54.3 -93.2 -27.3 74 94 A E T 3 S+ 0 0 74 1,-0.1 2,-0.8 51,-0.1 -1,-0.3 0.659 83.6 73.7 -74.1 -22.2 -53.2 -95.7 -24.6 75 95 A D <> - 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