==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAY-08 3D4N . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WANG,J.LIU,A.SUDOM,N.P.WALKER . 1047 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 790 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 146 13.9 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 . 1 0.1 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 . 80 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 430 41.1 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 7 1 0 1 2 4 4 5 4 4 2 2 0 0 0 0 0 2 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 10 2 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 . 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 0 189 0, 0.0 2,-0.0 0, 0.0 232,-0.0 0.000 360.0 360.0 360.0 89.9 -11.2 16.0 32.1 2 22 A P - 0 0 62 0, 0.0 2,-0.6 0, 0.0 230,-0.2 -0.148 360.0 -93.2 -85.7-175.0 -7.4 16.3 32.4 3 23 A L - 0 0 68 228,-1.5 230,-0.0 2,-0.1 228,-0.0 -0.905 19.9-153.1-111.4 114.7 -5.3 18.2 34.9 4 24 A N S S+ 0 0 171 -2,-0.6 -1,-0.1 2,-0.0 227,-0.0 0.696 71.3 87.9 -56.9 -22.9 -4.2 21.7 34.0 5 25 A E S S- 0 0 102 1,-0.1 -2,-0.1 226,-0.1 2,-0.1 -0.222 85.4 -98.3 -76.3 166.3 -1.1 21.5 36.2 6 26 A E - 0 0 168 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.307 43.7 -97.0 -76.2 166.5 2.3 20.2 35.3 7 27 A F - 0 0 36 -2,-0.1 -1,-0.1 3,-0.0 220,-0.1 -0.669 36.6-174.2 -87.3 139.2 3.5 16.6 36.0 8 28 A R > - 0 0 112 -2,-0.3 3,-2.6 1,-0.1 4,-0.2 -0.999 34.1-122.3-131.3 139.8 5.6 15.8 39.0 9 29 A P G >> S+ 0 0 61 0, 0.0 3,-2.3 0, 0.0 4,-0.5 0.796 106.7 69.9 -39.9 -40.7 7.1 12.4 39.9 10 30 A E G 34 S+ 0 0 92 1,-0.3 -3,-0.0 2,-0.2 27,-0.0 0.577 77.3 78.5 -63.7 -11.9 5.3 12.3 43.3 11 31 A M G <4 S+ 0 0 35 -3,-2.6 -1,-0.3 1,-0.2 26,-0.0 0.653 102.4 40.3 -68.1 -13.1 2.0 11.8 41.5 12 32 A L T X4 S+ 0 0 4 -3,-2.3 3,-3.1 -4,-0.2 28,-0.3 0.619 82.3 122.2-106.6 -21.3 3.1 8.2 41.2 13 33 A Q T 3< S- 0 0 127 -4,-0.5 26,-0.3 1,-0.3 25,-0.2 -0.233 92.6 -2.0 -51.1 116.7 4.7 7.7 44.6 14 34 A G T 3 S+ 0 0 37 24,-3.0 2,-0.3 1,-0.3 -1,-0.3 0.555 96.8 141.6 79.0 8.3 2.9 4.8 46.3 15 35 A K < - 0 0 85 -3,-3.1 25,-2.4 19,-0.1 2,-0.7 -0.661 53.9-125.3 -83.7 137.0 0.5 4.3 43.3 16 36 A K E +a 40 0A 60 -2,-0.3 78,-3.8 23,-0.2 79,-1.8 -0.743 38.7 178.2 -88.2 114.1 -0.3 0.7 42.4 17 37 A V E -ab 41 95A 0 23,-3.0 25,-2.0 -2,-0.7 2,-0.4 -0.957 23.0-157.1-128.5 125.5 0.5 0.2 38.7 18 38 A I E -ab 42 96A 0 77,-2.2 79,-2.4 -2,-0.4 2,-0.4 -0.776 11.8-171.1 -92.3 140.4 0.3 -2.8 36.4 19 39 A V E -ab 43 97A 0 23,-2.2 25,-1.1 -2,-0.4 3,-0.4 -0.975 6.6-157.7-131.3 121.9 2.6 -2.7 33.3 20 40 A T S S+ 0 0 0 77,-2.4 25,-0.1 -2,-0.4 23,-0.0 -0.609 74.5 21.8 -95.0 159.4 2.1 -5.3 30.6 21 41 A G S S+ 0 0 20 23,-0.4 6,-0.4 -2,-0.2 3,-0.4 0.901 82.4 143.7 54.9 41.8 4.8 -6.4 28.0 22 42 A A + 0 0 0 22,-1.8 23,-0.1 -3,-0.4 -1,-0.1 -0.021 32.4 93.6-106.8 30.6 7.3 -5.0 30.5 23 43 A S S S+ 0 0 18 21,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.646 98.4 0.8 -93.2 -17.6 10.3 -7.4 30.1 24 44 A K S >> S+ 0 0 101 -3,-0.4 4,-1.9 30,-0.0 3,-0.6 -0.917 106.8 11.4-153.7-179.1 12.0 -5.2 27.4 25 45 A G H 3> S- 0 0 9 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.003 120.5 -9.6 46.1-139.8 11.8 -2.0 25.4 26 46 A I H 3> S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.869 134.7 57.6 -60.1 -40.7 9.3 0.7 26.3 27 47 A G H <> S+ 0 0 0 -3,-0.6 4,-1.9 -6,-0.4 -5,-0.3 0.941 108.2 46.1 -54.1 -51.8 7.5 -1.6 28.8 28 48 A R H X S+ 0 0 78 -4,-1.9 4,-2.2 -7,-0.3 -1,-0.2 0.875 109.6 54.7 -59.4 -40.2 10.7 -2.2 30.8 29 49 A E H X S+ 0 0 21 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.862 106.0 53.4 -63.4 -34.8 11.5 1.5 30.8 30 50 A M H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.944 108.0 47.5 -67.1 -47.4 8.1 2.3 32.2 31 51 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.930 112.8 52.5 -55.7 -44.8 8.5 -0.1 35.2 32 52 A Y H X S+ 0 0 35 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.924 111.0 44.4 -56.1 -50.3 11.9 1.5 35.7 33 53 A H H X S+ 0 0 35 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.890 113.1 52.0 -63.5 -40.3 10.5 5.1 35.7 34 54 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 3,-0.7 0.905 108.6 50.7 -62.2 -41.8 7.7 4.0 38.0 35 55 A A H ><5S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.901 104.8 56.5 -63.2 -43.3 10.2 2.4 40.4 36 56 A K H 3<5S+ 0 0 129 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.743 107.3 51.9 -56.2 -23.8 12.2 5.6 40.5 37 57 A M T <<5S- 0 0 20 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.445 118.7-110.1 -97.2 -2.1 9.0 7.4 41.6 38 58 A G T < 5 + 0 0 17 -3,-1.6 -24,-3.0 -4,-0.3 -3,-0.2 0.827 64.4 154.2 77.4 32.6 8.3 5.0 44.5 39 59 A A < - 0 0 0 -5,-2.1 25,-2.0 -26,-0.3 26,-0.9 -0.494 50.2-112.7 -85.2 160.6 5.3 3.4 42.9 40 60 A H E -ac 16 65A 56 -25,-2.4 -23,-3.0 -28,-0.3 2,-0.4 -0.852 44.4-164.8 -88.9 129.9 4.1 -0.1 43.6 41 61 A V E -ac 17 66A 1 24,-2.5 26,-2.3 -2,-0.5 2,-0.4 -0.952 27.9-179.2-131.5 133.8 4.6 -2.2 40.5 42 62 A V E -ac 18 67A 0 -25,-2.0 -23,-2.2 -2,-0.4 2,-0.2 -0.990 20.1-172.5-121.8 121.8 3.5 -5.5 39.0 43 63 A V E -ac 19 68A 2 24,-2.6 26,-2.0 -2,-0.4 2,-0.3 -0.698 0.4-167.2-109.9 163.9 5.0 -6.4 35.6 44 64 A T E + c 0 69A 2 -25,-1.1 -22,-1.8 -2,-0.2 -23,-0.4 -0.993 21.9 128.6-153.8 162.0 4.3 -9.2 33.2 45 65 A A E - c 0 70A 17 24,-0.6 26,-2.0 -2,-0.3 3,-0.0 -0.926 60.7 -92.0 172.0 177.5 5.4 -11.1 30.1 46 66 A R S S+ 0 0 142 -2,-0.3 2,-0.9 24,-0.2 -1,-0.1 0.898 101.6 77.0 -81.5 -42.7 6.0 -14.7 29.0 47 67 A S > - 0 0 48 1,-0.2 4,-1.8 -3,-0.1 5,-0.2 -0.568 55.8-173.9 -80.8 103.7 9.7 -14.9 29.9 48 68 A K H > S+ 0 0 104 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.831 78.8 63.0 -63.2 -33.8 10.1 -15.2 33.7 49 69 A E H > S+ 0 0 102 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.963 109.5 36.2 -57.5 -58.3 13.9 -14.9 33.5 50 70 A T H > S+ 0 0 56 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.879 113.0 58.9 -65.0 -40.8 14.1 -11.4 32.1 51 71 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.909 101.2 57.7 -50.7 -43.1 11.0 -10.4 34.2 52 72 A Q H X S+ 0 0 86 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.875 105.6 49.4 -55.8 -39.9 13.1 -11.4 37.2 53 73 A K H X S+ 0 0 157 -4,-1.1 4,-2.0 -3,-0.4 -1,-0.2 0.884 109.1 51.0 -68.6 -40.8 15.8 -8.9 36.1 54 74 A V H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.941 111.5 48.8 -60.2 -45.6 13.3 -6.1 35.7 55 75 A V H X S+ 0 0 20 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.914 109.7 50.9 -61.5 -45.3 11.9 -6.7 39.2 56 76 A S H X S+ 0 0 70 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.887 112.3 46.7 -61.1 -39.8 15.4 -6.8 40.7 57 77 A H H X S+ 0 0 57 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.873 105.7 58.7 -73.7 -36.1 16.3 -3.5 39.2 58 78 A C H X>S+ 0 0 1 -4,-2.4 5,-2.9 2,-0.2 4,-0.7 0.887 107.7 47.2 -57.8 -39.5 13.0 -1.9 40.2 59 79 A L H ><5S+ 0 0 101 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.894 111.0 52.3 -69.3 -39.6 13.9 -2.6 43.8 60 80 A E H 3<5S+ 0 0 150 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.806 108.1 52.7 -59.3 -31.9 17.3 -1.2 43.1 61 81 A L H 3<5S- 0 0 45 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.595 128.6 -89.8 -87.3 -11.8 15.7 1.9 41.7 62 82 A G T <<5 + 0 0 46 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.1 0.499 61.8 170.7 115.0 8.8 13.5 2.7 44.7 63 83 A A < - 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0 0 69 -5,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.569 40.7-129.0 -78.1 147.2 -8.8 25.9 -11.5 1026 254 D E S S+ 0 0 57 -2,-0.2 -42,-2.5 -234,-0.2 2,-0.3 0.945 86.7 12.5 -61.6 -47.0 -9.8 28.1 -8.6 1027 255 D E E -a 984 0G 25 -44,-0.2 2,-0.4 -42,-0.0 -42,-0.2 -0.930 60.5-154.0-136.3 155.8 -6.3 28.0 -7.1 1028 256 D V E -a 985 0G 9 -44,-2.5 -42,-3.6 -2,-0.3 2,-0.5 -0.976 8.1-164.5-134.7 119.5 -2.7 27.1 -8.1 1029 257 D Y E +a 986 0G 36 -2,-0.4 2,-0.4 -44,-0.2 -42,-0.2 -0.896 13.9 169.2-107.5 127.0 0.0 26.1 -5.6 1030 258 D Y E +a 987 0G 22 -44,-2.5 -42,-2.3 -2,-0.5 2,-0.3 -0.906 10.8 137.9-143.5 114.7 3.6 26.0 -6.6 1031 259 D D - 0 0 26 -2,-0.4 -24,-0.1 -44,-0.2 -41,-0.1 -0.888 57.7-110.0-143.1 173.0 6.7 25.6 -4.4 1032 260 D S S S+ 0 0 55 -26,-0.3 2,-0.4 -2,-0.3 -25,-0.1 0.792 101.8 62.7 -76.9 -29.3 10.1 23.8 -4.4 1033 261 D S > - 0 0 38 1,-0.1 4,-1.7 -27,-0.1 -2,-0.1 -0.839 69.2-150.5-103.4 134.4 8.9 21.5 -1.6 1034 262 D L H > S+ 0 0 96 -2,-0.4 4,-1.6 1,-0.2 5,-0.3 0.770 98.9 61.5 -69.9 -27.0 6.1 19.1 -1.9 1035 263 D W H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.916 106.2 46.4 -63.5 -41.8 5.4 19.4 1.8 1036 264 D T H > S+ 0 0 11 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.934 110.1 51.3 -66.7 -47.0 4.7 23.1 1.3 1037 265 D T H < S+ 0 0 26 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.828 119.5 35.1 -63.6 -33.1 2.4 22.7 -1.7 1038 266 D L H < S+ 0 0 43 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.750 120.4 48.5 -91.8 -27.6 0.2 20.1 -0.1 1039 267 D L H < S+ 0 0 14 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.890 102.4 61.7 -78.1 -41.3 0.3 21.6 3.4 1040 268 D I S < S+ 0 0 12 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 0.772 83.6 94.5 -59.9 -30.0 -0.4 25.2 2.4 1041 269 D R - 0 0 110 -4,-0.4 -3,-0.0 -5,-0.2 -260,-0.0 -0.190 66.2-144.9 -64.4 159.5 -3.9 24.4 1.0 1042 270 D N > + 0 0 35 1,-0.1 4,-1.2 -261,-0.1 5,-0.1 -0.804 22.7 172.5-132.3 91.6 -6.9 24.8 3.3 1043 271 D P H > S+ 0 0 43 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.662 76.9 66.2 -76.7 -16.3 -9.7 22.3 2.7 1044 272 D S H >> S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 3,-0.6 0.978 100.4 49.6 -63.0 -56.8 -11.6 23.5 5.8 1045 273 D R H 3> S+ 0 0 20 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.890 110.3 48.3 -49.2 -49.8 -12.3 26.9 4.2 1046 274 D K H 3X S+ 0 0 64 -4,-1.2 4,-1.6 1,-0.2 -1,-0.3 0.836 110.2 57.3 -61.9 -29.9 -13.5 25.4 0.9 1047 275 D I H