==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-OCT-04 1XU9 . 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, . 1055 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 786 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 66 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 431 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 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 0 0 6 2 0 0 3 5 4 4 4 4 0 4 0 0 0 0 0 1 3 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 0 4 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 . 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 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 0 209 0, 0.0 2,-0.1 0, 0.0 232,-0.1 0.000 360.0 360.0 360.0 148.7 -11.4 15.8 31.6 2 22 A P - 0 0 52 0, 0.0 230,-0.2 0, 0.0 2,-0.2 -0.361 360.0-100.7 -77.6 150.4 -7.7 16.3 32.2 3 23 A L - 0 0 71 228,-2.0 2,-0.6 1,-0.1 230,-0.0 -0.475 25.8-137.8 -67.8 133.6 -6.1 17.7 35.4 4 24 A N S S+ 0 0 162 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.190 70.2 96.6 -90.1 43.4 -5.1 21.4 34.9 5 25 A E S S- 0 0 113 -2,-0.6 2,-0.2 226,-0.1 3,-0.1 -0.856 79.7-100.0-127.7 160.1 -1.8 21.0 36.7 6 26 A E - 0 0 171 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.535 51.0 -98.5 -72.5 145.5 1.9 20.4 35.7 7 27 A F - 0 0 29 -2,-0.2 -1,-0.1 2,-0.0 220,-0.1 -0.439 40.7-173.6 -64.8 140.0 3.0 16.8 36.1 8 28 A R > - 0 0 117 -2,-0.1 3,-2.1 219,-0.1 4,-0.2 -0.997 30.1-131.6-131.5 136.2 4.9 16.0 39.3 9 29 A P G > S+ 0 0 64 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.787 104.1 71.9 -57.8 -26.1 6.6 12.6 40.0 10 30 A E G > S+ 0 0 106 1,-0.3 3,-0.8 2,-0.2 -3,-0.0 0.671 77.9 78.8 -63.1 -17.3 5.0 12.5 43.4 11 31 A M G < S+ 0 0 32 -3,-2.1 -1,-0.3 1,-0.2 -4,-0.0 0.715 98.4 42.4 -61.5 -21.3 1.6 11.9 41.6 12 32 A L G X S+ 0 0 4 -3,-1.9 3,-2.0 -4,-0.2 -1,-0.2 0.456 82.8 124.0-104.0 -6.2 2.7 8.2 41.3 13 33 A Q T < S- 0 0 130 -3,-0.8 26,-0.2 -4,-0.3 25,-0.2 -0.392 90.2 -1.7 -59.6 123.5 4.1 7.8 44.8 14 34 A G T 3 S+ 0 0 35 24,-2.2 -1,-0.3 1,-0.2 25,-0.2 0.478 98.6 142.2 73.8 3.1 2.4 4.9 46.5 15 35 A K < - 0 0 89 -3,-2.0 25,-3.2 19,-0.1 2,-0.6 -0.448 52.0-127.3 -77.6 152.7 0.2 4.3 43.4 16 36 A K E +a 40 0A 54 23,-0.2 78,-2.9 -2,-0.1 79,-1.8 -0.895 37.0 176.7-107.5 114.1 -0.7 0.8 42.4 17 37 A V E -ab 41 95A 0 23,-2.7 25,-2.1 -2,-0.6 2,-0.4 -0.964 24.5-156.6-131.8 131.9 0.2 0.2 38.8 18 38 A I E -ab 42 96A 0 77,-2.3 79,-2.6 -2,-0.4 2,-0.4 -0.890 12.7-171.2 -97.4 134.9 0.1 -2.8 36.3 19 39 A V E -ab 43 97A 0 23,-2.2 25,-1.6 -2,-0.4 3,-0.4 -0.986 5.8-160.3-125.5 121.9 2.4 -2.6 33.3 20 40 A T S S+ 0 0 0 77,-2.2 25,-0.2 -2,-0.4 23,-0.0 -0.587 75.4 27.3 -94.5 162.7 2.0 -5.2 30.5 21 41 A G S S+ 0 0 17 23,-0.3 6,-0.5 -2,-0.2 3,-0.4 0.917 83.0 143.2 53.3 46.7 4.7 -6.0 28.0 22 42 A A + 0 0 0 22,-2.5 23,-0.2 -3,-0.4 -1,-0.1 0.223 34.2 89.2-110.5 15.6 7.1 -4.9 30.6 23 43 A S S S- 0 0 16 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.649 104.3 -10.7 -85.5 -18.6 10.1 -7.2 30.2 24 44 A K S >> S+ 0 0 108 -3,-0.4 4,-1.6 30,-0.0 3,-0.5 -0.919 106.6 30.7-159.6-179.3 11.8 -5.0 27.6 25 45 A G H 3> S- 0 0 12 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.128 117.6 -18.5 62.9-147.9 11.2 -1.9 25.4 26 46 A I H 3> S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.870 135.5 58.4 -63.9 -38.1 8.9 0.9 26.4 27 47 A G H <> S+ 0 0 0 -3,-0.5 4,-2.2 -6,-0.5 -5,-0.3 0.910 106.2 48.7 -59.2 -44.3 7.1 -1.3 29.0 28 48 A R H X S+ 0 0 71 -4,-1.6 4,-2.3 -7,-0.3 -1,-0.2 0.924 111.2 50.3 -60.5 -45.3 10.4 -1.9 30.9 29 49 A E H X S+ 0 0 22 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.860 108.8 52.4 -61.9 -35.9 11.2 1.8 30.8 30 50 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.937 108.3 50.0 -64.8 -44.6 7.7 2.6 32.2 31 51 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.909 110.9 51.0 -58.8 -41.5 8.3 0.1 35.1 32 52 A Y H X S+ 0 0 31 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 110.6 47.3 -65.7 -43.8 11.6 1.8 35.8 33 53 A H H X S+ 0 0 16 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.926 112.8 49.2 -60.8 -45.9 10.1 5.3 35.9 34 54 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 4,-0.2 0.869 110.4 51.4 -60.9 -38.5 7.3 4.1 38.2 35 55 A A H ><5S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.938 108.0 50.9 -65.3 -46.8 9.9 2.4 40.4 36 56 A K H 3<5S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.843 108.8 53.6 -59.0 -32.4 11.9 5.6 40.7 37 57 A M T 3<5S- 0 0 22 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.470 119.9-111.2 -81.8 -3.4 8.7 7.5 41.6 38 58 A G T < 5 + 0 0 15 -3,-1.7 -24,-2.2 -4,-0.2 -3,-0.2 0.768 63.6 152.5 78.1 27.8 8.0 5.0 44.4 39 59 A A < - 0 0 0 -5,-2.6 25,-1.7 -26,-0.2 26,-1.0 -0.389 51.4-113.5 -76.5 160.7 5.0 3.3 42.9 40 60 A H E -ac 16 65A 50 -25,-3.2 -23,-2.7 24,-0.2 2,-0.4 -0.893 44.2-167.3 -85.9 129.1 3.8 -0.3 43.6 41 61 A V E -ac 17 66A 1 24,-2.1 26,-1.7 -2,-0.5 2,-0.5 -0.958 25.5-172.6-126.9 137.9 4.3 -2.2 40.3 42 62 A V E -ac 18 67A 0 -25,-2.1 -23,-2.2 -2,-0.4 2,-0.3 -0.993 20.9-167.6-120.4 122.8 3.2 -5.5 38.9 43 63 A V E -ac 19 68A 2 24,-2.5 26,-1.8 -2,-0.5 2,-0.3 -0.786 4.2-170.8-107.6 153.5 4.8 -6.3 35.6 44 64 A T E + c 0 69A 2 -25,-1.6 -22,-2.5 -2,-0.3 -23,-0.3 -0.970 22.0 130.3-145.3 160.2 3.9 -9.0 33.1 45 65 A A E - c 0 70A 16 24,-0.5 26,-2.0 -2,-0.3 24,-0.0 -0.869 64.1 -89.8 177.0 177.3 5.2 -10.7 29.9 46 66 A R S S+ 0 0 149 -2,-0.2 2,-0.7 24,-0.2 26,-0.1 0.866 101.4 78.1 -75.2 -34.2 5.7 -14.3 28.8 47 67 A S > - 0 0 38 1,-0.2 4,-2.0 24,-0.1 5,-0.2 -0.674 52.7-172.0 -92.8 111.4 9.3 -14.7 30.0 48 68 A K H > S+ 0 0 105 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.853 86.6 59.7 -62.2 -34.0 9.9 -15.1 33.8 49 69 A E H > S+ 0 0 100 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.919 110.0 38.8 -66.2 -44.9 13.7 -14.8 33.2 50 70 A T H > S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 114.6 54.5 -73.4 -35.5 13.5 -11.3 31.8 51 71 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.859 101.6 59.2 -63.8 -36.1 10.8 -10.2 34.2 52 72 A Q H X S+ 0 0 89 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.903 105.5 49.5 -57.2 -41.5 13.0 -11.3 37.1 53 73 A K H X S+ 0 0 155 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.877 110.1 50.1 -67.9 -38.3 15.6 -8.8 36.0 54 74 A V H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.931 111.3 48.8 -65.2 -44.8 13.0 -6.0 35.7 55 75 A V H X S+ 0 0 19 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.941 110.6 50.3 -62.6 -45.9 11.7 -6.6 39.2 56 76 A S H X S+ 0 0 66 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.927 113.3 45.4 -61.1 -43.3 15.1 -6.7 40.7 57 77 A H H X S+ 0 0 64 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.875 109.0 56.9 -67.7 -35.8 16.1 -3.4 39.1 58 78 A C H X>S+ 0 0 1 -4,-2.5 5,-2.0 1,-0.2 4,-0.6 0.925 107.3 48.5 -59.5 -42.6 12.7 -1.8 40.1 59 79 A L H ><5S+ 0 0 92 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.925 110.2 51.5 -64.3 -43.1 13.4 -2.6 43.7 60 80 A E H 3<5S+ 0 0 142 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.834 106.5 55.1 -59.9 -36.4 16.9 -1.1 43.4 61 81 A L H 3<5S- 0 0 49 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.579 127.9 -95.6 -76.5 -13.6 15.4 2.1 41.9 62 82 A G T <<5 + 0 0 43 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.627 57.5 170.9 108.7 22.6 13.1 2.5 44.9 63 83 A A < - 0 0 13 -5,-2.0 -1,-0.2 1,-0.1 -23,-0.2 -0.306 40.2-131.1 -56.5 141.3 9.8 0.9 44.0 64 84 A A S S- 0 0 57 -25,-1.7 2,-0.3 1,-0.3 -24,-0.2 0.890 91.0 -19.6 -59.4 -41.3 7.4 0.7 47.0 65 85 A S E -c 40 0A 23 -26,-1.0 -24,-2.1 2,-0.0 -1,-0.3 -0.954 65.9-164.4-156.8 161.6 7.0 -2.9 45.8 66 86 A A E +c 41 0A 4 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.953 16.0 157.8-152.1 132.8 7.7 -4.8 42.6 67 87 A H E -c 42 0A 83 -26,-1.7 -24,-2.5 -2,-0.3 2,-0.3 -0.969 22.6-142.2-148.0 156.7 6.5 -8.2 41.4 68 88 A Y E -c 43 0A 78 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.912 7.0-168.7-120.2 155.0 5.9 -10.1 38.2 69 89 A I E -c 44 0A 18 -26,-1.8 -24,-0.5 -2,-0.3 2,-0.3 -0.964 21.9-148.5-134.8 121.4 3.4 -12.6 37.0 70 90 A A E +c 45 0A 38 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.722 36.7 114.1 -96.0 142.3 4.3 -14.4 33.7 71 91 A G - 0 0 18 -26,-2.0 2,-0.5 -2,-0.3 -26,-0.1 -0.942 58.3 -87.3 174.7 170.3 1.9 -15.6 31.1 72 92 A T > - 0 0 46 -2,-0.3 3,-1.7 -26,-0.1 7,-0.2 -0.837 17.6-146.6-101.1 134.2 0.7 -15.2 27.5 73 93 A M T 3 S+ 0 0 12 -2,-0.5 53,-0.1 1,-0.3 -1,-0.1 0.389 93.9 80.8 -80.7 6.8 -2.0 -12.7 26.6 74 94 A E T 3 S+ 0 0 78 1,-0.1 2,-0.8 51,-0.1 -1,-0.3 0.701 83.5 72.6 -69.4 -24.2 -3.2 -15.2 23.9 75 95 A D <> - 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