==== 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 09-MAY-08 3D3E . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WANG,A.SUDOM,J.LIU,N.P.WALKER . 1039 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 797 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 141 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 . 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 . 75 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 414 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 3.6 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 1 4 3 0 1 2 5 2 5 4 3 4 0 0 0 0 0 0 3 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 2 3 3 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 0 203 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 78.1 -11.3 16.5 33.3 2 22 A P - 0 0 85 0, 0.0 229,-0.2 0, 0.0 230,-0.1 -0.434 360.0-100.0 -66.3 142.1 -7.6 16.9 32.6 3 23 A L - 0 0 74 227,-1.6 2,-0.4 1,-0.1 227,-0.0 -0.274 23.6-129.2 -63.7 145.5 -5.7 18.3 35.6 4 24 A N S S+ 0 0 167 -3,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.133 79.9 50.5 -91.3 40.0 -4.9 22.0 35.5 5 25 A E S S- 0 0 83 -2,-0.4 2,-0.2 225,-0.1 -2,-0.0 -0.867 81.5 -90.8-156.4-177.1 -1.1 21.7 36.3 6 26 A E - 0 0 155 -2,-0.2 2,-0.3 1,-0.0 -2,-0.0 -0.603 45.7 -91.7-108.6 173.7 2.2 20.0 35.4 7 27 A F + 0 0 28 -2,-0.2 219,-0.1 3,-0.0 220,-0.0 -0.647 32.8 175.6 -99.8 138.9 3.7 16.8 36.8 8 28 A R > - 0 0 133 -2,-0.3 3,-2.5 1,-0.1 4,-0.2 -1.000 41.1-110.9-136.6 138.7 6.2 16.1 39.6 9 29 A P G >> S+ 0 0 62 0, 0.0 3,-3.2 0, 0.0 4,-0.5 0.710 105.2 74.5 -31.0 -51.6 7.4 12.6 40.9 10 30 A E G >4 S+ 0 0 114 1,-0.3 3,-1.2 2,-0.2 27,-0.0 0.736 80.6 75.2 -42.4 -27.8 5.6 12.7 44.3 11 31 A M G <4 S+ 0 0 48 -3,-2.5 -1,-0.3 1,-0.3 26,-0.0 0.736 101.1 40.5 -61.6 -21.8 2.4 12.0 42.4 12 32 A L G X4 S+ 0 0 4 -3,-3.2 3,-2.3 -4,-0.2 -1,-0.3 0.470 84.5 127.3-103.0 -6.8 3.5 8.4 42.0 13 33 A Q T << S- 0 0 119 -3,-1.2 26,-0.2 -4,-0.5 25,-0.2 -0.315 89.7 -6.7 -56.1 124.1 5.0 8.0 45.5 14 34 A G T 3 S+ 0 0 37 24,-1.2 2,-0.5 1,-0.2 -1,-0.3 0.657 98.9 143.8 62.8 17.1 3.5 5.0 47.2 15 35 A K < - 0 0 84 -3,-2.3 25,-1.1 79,-0.0 2,-0.4 -0.773 51.4-127.5 -92.8 127.0 1.1 4.6 44.3 16 36 A K E +a 40 0A 55 -2,-0.5 78,-2.8 23,-0.2 79,-1.2 -0.589 38.1 175.5 -79.9 127.0 0.3 1.0 43.4 17 37 A V E -ab 41 95A 0 23,-1.8 25,-2.1 -2,-0.4 2,-0.4 -0.984 25.4-149.6-140.9 143.6 0.9 0.3 39.7 18 38 A I E -ab 42 96A 0 77,-1.9 79,-1.9 -2,-0.4 2,-0.4 -0.880 12.7-174.2-110.9 140.9 0.9 -2.5 37.1 19 39 A V E -ab 43 97A 0 23,-1.9 25,-1.4 -2,-0.4 3,-0.4 -0.989 7.5-158.5-135.7 127.6 3.0 -2.6 34.0 20 40 A T E S+a 44 0A 0 77,-1.5 25,-0.2 -2,-0.4 23,-0.0 -0.664 76.9 22.8-105.7 160.4 2.8 -5.2 31.3 21 41 A G S > S+ 0 0 19 23,-0.6 3,-0.5 -2,-0.2 6,-0.4 0.898 83.1 144.5 50.6 40.7 5.4 -6.2 28.8 22 42 A A T 3 + 0 0 0 22,-1.8 23,-0.1 -3,-0.4 -1,-0.1 0.347 37.8 87.8 -94.7 6.8 7.7 -4.7 31.4 23 43 A S T 3 S+ 0 0 13 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.759 102.3 1.6 -78.3 -23.5 10.6 -7.1 30.9 24 44 A K S X> S+ 0 0 111 -3,-0.5 4,-1.4 30,-0.0 3,-0.8 -0.909 106.0 9.2-148.1 178.2 12.2 -5.0 28.2 25 45 A G H >> S- 0 0 13 -2,-0.3 4,-2.0 1,-0.2 3,-0.7 0.084 118.2 -8.0 49.3-152.4 11.9 -1.8 26.2 26 46 A I H 3> S+ 0 0 26 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.793 134.7 57.9 -47.2 -35.4 9.4 1.0 26.9 27 47 A G H <> S+ 0 0 1 -3,-0.8 4,-1.5 -6,-0.4 -1,-0.3 0.959 107.9 44.3 -61.0 -53.5 7.8 -1.3 29.5 28 48 A R H X S+ 0 0 35 -4,-2.6 4,-2.3 2,-0.2 3,-1.0 0.982 111.2 47.9 -62.4 -57.8 12.4 2.1 36.3 33 53 A H H 3< S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.917 109.3 57.9 -43.8 -45.8 11.1 5.6 36.2 34 54 A L H ><>S+ 0 0 0 -4,-2.1 5,-1.7 -5,-0.3 3,-0.8 0.847 106.3 46.3 -57.2 -38.5 8.3 4.3 38.5 35 55 A A H X<5S+ 0 0 1 -4,-1.6 3,-4.5 -3,-1.0 -1,-0.2 0.960 99.8 66.2 -68.1 -52.2 10.8 3.1 41.1 36 56 A K T 3<5S+ 0 0 116 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.520 105.5 48.5 -45.6 -2.9 12.7 6.4 41.0 37 57 A M T < 5S- 0 0 19 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.458 114.6-119.5-117.1 -10.6 9.4 7.7 42.4 38 58 A G T < 5 + 0 0 17 -3,-4.5 -24,-1.2 1,-0.2 -3,-0.2 0.752 59.1 152.5 78.5 25.6 9.1 5.1 45.1 39 59 A A < - 0 0 0 -5,-1.7 26,-0.8 -26,-0.2 25,-0.5 -0.372 51.2-107.1 -78.4 161.0 5.8 3.7 43.8 40 60 A H E -ac 16 65A 52 -25,-1.1 -23,-1.8 -28,-0.2 2,-0.4 -0.733 45.6-175.6 -83.8 141.7 4.7 0.1 44.3 41 61 A V E -ac 17 66A 2 24,-1.8 26,-1.8 -2,-0.4 2,-0.4 -0.987 24.0-169.9-148.5 135.8 4.9 -1.9 41.1 42 62 A V E -ac 18 67A 0 -25,-2.1 -23,-1.9 -2,-0.4 2,-0.3 -0.972 19.4-165.7-118.1 139.5 4.1 -5.3 39.8 43 63 A V E -ac 19 68A 2 24,-2.4 26,-1.8 -2,-0.4 2,-0.3 -0.881 5.4-171.8-130.2 153.9 5.4 -6.3 36.4 44 64 A T E +ac 20 69A 2 -25,-1.4 -22,-1.8 -2,-0.3 -23,-0.6 -0.974 21.2 127.4-147.4 159.5 4.6 -9.1 34.0 45 65 A A E - c 0 70A 17 24,-0.7 26,-2.2 -2,-0.3 24,-0.0 -0.898 63.0 -85.5 179.6-165.6 5.7 -10.8 30.8 46 66 A R S S+ 0 0 138 -2,-0.3 2,-0.3 24,-0.2 -1,-0.1 0.933 100.6 70.9 -89.4 -55.3 6.4 -14.3 29.8 47 67 A S > - 0 0 48 1,-0.2 4,-1.1 23,-0.1 -1,-0.1 -0.456 55.0-168.4 -70.6 121.9 10.1 -14.8 30.7 48 68 A K H > S+ 0 0 103 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.850 81.8 68.3 -75.7 -34.2 10.8 -15.0 34.4 49 69 A E H > S+ 0 0 97 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.926 107.2 36.4 -50.9 -52.6 14.6 -14.7 33.9 50 70 A T H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.830 113.9 58.0 -71.9 -32.5 14.4 -11.1 32.7 51 71 A L H X S+ 0 0 0 -4,-1.1 4,-2.6 1,-0.2 5,-0.3 0.937 98.7 59.9 -64.1 -43.2 11.6 -10.2 35.1 52 72 A Q H X S+ 0 0 83 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.929 106.8 47.0 -49.0 -48.7 13.8 -11.2 38.0 53 73 A K H X S+ 0 0 148 -4,-1.1 4,-2.9 2,-0.2 5,-0.3 0.962 109.2 52.0 -60.0 -52.9 16.3 -8.5 37.0 54 74 A V H X S+ 0 0 3 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.916 113.1 46.1 -49.0 -48.6 13.8 -5.7 36.5 55 75 A V H X S+ 0 0 19 -4,-2.6 4,-1.4 1,-0.2 3,-0.4 0.946 113.0 49.5 -58.4 -50.2 12.4 -6.4 40.0 56 76 A S H X S+ 0 0 67 -4,-2.6 4,-1.1 -5,-0.3 -2,-0.2 0.857 113.4 46.0 -59.0 -38.9 15.8 -6.6 41.5 57 77 A H H X S+ 0 0 66 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.714 104.5 60.7 -80.5 -22.3 16.9 -3.3 39.9 58 78 A C H <>S+ 0 0 0 -4,-1.5 5,-2.3 -3,-0.4 4,-0.4 0.809 101.2 55.1 -74.1 -32.0 13.7 -1.4 40.8 59 79 A L H ><5S+ 0 0 92 -4,-1.4 3,-1.3 3,-0.2 -2,-0.2 0.931 106.9 50.2 -62.3 -47.7 14.4 -2.0 44.5 60 80 A E H 3<5S+ 0 0 137 -4,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.959 106.5 53.9 -54.4 -53.3 17.8 -0.4 44.1 61 81 A L T 3<5S- 0 0 52 -4,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.624 129.9-100.3 -60.7 -12.3 16.3 2.6 42.3 62 82 A G T < 5 + 0 0 41 -3,-1.3 -3,-0.2 -4,-0.4 2,-0.2 0.756 55.7 171.7 103.1 30.4 14.1 2.8 45.4 63 83 A A < - 0 0 10 -5,-2.3 -1,-0.2 1,-0.1 -23,-0.2 -0.500 40.2-129.5 -68.8 134.2 10.6 1.3 44.7 64 84 A A S S- 0 0 55 -25,-0.5 2,-0.3 -2,-0.2 -24,-0.2 0.887 90.3 -19.9 -48.2 -41.2 8.5 0.9 47.8 65 85 A S E -c 40 0A 28 -26,-0.8 -24,-1.8 -7,-0.1 2,-0.3 -0.961 65.1-165.2-163.5 162.6 8.1 -2.6 46.6 66 86 A A E +c 41 0A 5 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.931 13.9 158.4-158.0 122.9 8.4 -4.6 43.4 67 87 A H E -c 42 0A 83 -26,-1.8 -24,-2.4 -2,-0.3 2,-0.3 -0.935 20.5-143.5-142.3 165.4 7.3 -8.1 42.2 68 88 A Y E -c 43 0A 80 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.911 5.5-166.5-128.2 155.4 6.7 -10.0 39.0 69 89 A I E -c 44 0A 22 -26,-1.8 -24,-0.7 -2,-0.3 2,-0.3 -0.972 18.8-147.9-137.8 129.0 4.3 -12.6 37.8 70 90 A A E +c 45 0A 40 -2,-0.4 2,-0.2 -26,-0.2 -24,-0.2 -0.767 38.1 113.5-103.3 144.9 5.0 -14.5 34.6 71 91 A G - 0 0 20 -26,-2.2 2,-0.5 -2,-0.3 -26,-0.1 -0.844 61.3 -85.8 166.8 159.4 2.5 -15.8 32.1 72 92 A T > - 0 0 40 -2,-0.2 3,-1.9 1,-0.1 7,-0.2 -0.714 16.9-147.5 -93.4 128.0 1.3 -15.3 28.5 73 93 A M T 3 S+ 0 0 13 -2,-0.5 -1,-0.1 1,-0.3 53,-0.1 0.523 94.1 85.2 -69.6 -1.9 -1.3 -12.7 27.7 74 94 A E T 3 S+ 0 0 84 1,-0.2 2,-0.6 2,-0.0 -1,-0.3 0.565 83.6 72.8 -62.3 -8.3 -2.3 -15.1 25.1 75 95 A D <> - 0 0 69 -3,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.870 64.2-168.3-125.6 99.0 -4.3 -16.5 28.0 76 96 A M H > S+ 0 0 28 -2,-0.6 4,-1.0 1,-0.2 -1,-0.1 0.775 90.5 57.2 -58.4 -29.9 -7.3 -14.6 29.2 77 97 A T H >> S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 3,-1.1 0.974 108.6 45.6 -65.0 -53.4 -7.4 -16.7 32.4 78 98 A F H 3> S+ 0 0 32 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.917 109.6 55.2 -53.8 -45.9 -3.9 -15.7 33.3 79 99 A A H 3X S+ 0 0 0 -4,-2.4 4,-0.8 -7,-0.2 -1,-0.3 0.786 109.9 48.3 -58.9 -23.8 -4.7 -12.1 32.5 80 100 A E H S+ 0 0 1 -4,-2.2 5,-2.8 1,-0.2 4,-0.4 0.824 113.3 47.9 -63.7 -34.6 -3.7 -6.0 43.4 88 108 A K H <5S+ 0 0 183 -4,-2.3 -1,-0.2 3,-0.2 3,-0.2 0.810 106.8 59.3 -74.2 -31.3 -4.2 -8.1 46.5 89 109 A L H <5S+ 0 0 94 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.917 117.3 31.1 -58.1 -42.6 -0.4 -8.2 46.7 90 110 A M T <5S- 0 0 20 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.392 107.6-122.4 -98.9 1.5 -0.4 -4.4 47.0 91 111 A G T 5S+ 0 0 57 -4,-0.4 2,-0.2 -3,-0.2 -3,-0.2 0.891 82.5 2.7 55.9 43.6 -3.8 -4.1 48.7 92 112 A G < - 0 0 15 -5,-2.8 2,-0.3 -6,-0.1 -2,-0.2 -0.823 70.0-117.6 141.4-179.7 -5.1 -1.8 45.9 93 113 A L + 0 0 2 44,-0.3 48,-0.3 -2,-0.2 50,-0.2 -0.940 18.6 174.6-161.7 134.2 -4.3 -0.3 42.5 94 114 A D S S+ 0 0 36 -78,-2.8 50,-1.8 1,-0.3 2,-0.3 0.668 73.2 21.0-114.4 -27.9 -4.0 3.3 41.2 95 115 A M E -bd 17 144A 10 -79,-1.2 -77,-1.9 48,-0.2 2,-0.6 -0.970 57.2-157.2-152.2 129.6 -2.8 3.0 37.6 96 116 A L E -bd 18 145A 0 48,-2.8 50,-2.9 -2,-0.3 2,-0.7 -0.940 9.5-163.3-109.0 120.1 -3.0 0.3 35.1 97 117 A I E -bd 19 146A 0 -79,-1.9 -77,-1.5 -2,-0.6 2,-0.8 -0.882 0.4-165.3-108.3 107.1 -0.4 0.4 32.3 98 118 A L E + d 0 147A 0 48,-3.1 50,-2.3 -2,-0.7 -79,-0.0 -0.819 34.6 135.2 -93.8 111.6 -1.4 -1.7 29.3 99 119 A N + 0 0 22 -2,-0.8 -1,-0.2 48,-0.2 -78,-0.1 0.624 27.5 106.2-132.5 -29.4 1.8 -2.0 27.2 100 120 A H + 0 0 16 22,-0.0 2,-0.3 -73,-0.0 48,-0.1 -0.149 37.6 179.8 -61.7 155.3 2.5 -5.6 26.0 101 121 A I - 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