==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-DEC-04 1YB1 . COMPND 2 MOLECULE: 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.LUKACIK,G.BUNKOCZI,K.KAVANAGH,S.NG,F.VON DELFT,J.BRAY,A.ED . 485 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 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 . 36 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.3 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 4 0 2 0 0 0 0 1 3 4 2 0 1 1 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 4 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 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 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 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 25 A R 0 0 250 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.4 22.3 -2.1 9.5 2 26 A R - 0 0 48 221,-0.1 221,-0.2 1,-0.0 2,-0.1 -0.730 360.0-131.4 -99.9 132.3 19.4 -3.7 7.6 3 27 A K - 0 0 52 219,-2.5 2,-0.3 -2,-0.4 221,-0.1 -0.398 23.2-111.7 -74.3 154.5 19.7 -5.8 4.5 4 28 A S - 0 0 88 1,-0.1 -1,-0.1 -2,-0.1 26,-0.0 -0.687 27.6-179.5 -80.7 139.4 17.5 -5.2 1.4 5 29 A V > + 0 0 2 -2,-0.3 3,-1.8 25,-0.3 28,-0.3 0.098 29.9 145.8-120.3 16.4 15.1 -8.0 0.6 6 30 A T T 3 S+ 0 0 91 1,-0.3 26,-0.3 26,-0.1 25,-0.2 -0.323 75.9 1.3 -59.9 130.4 13.7 -6.3 -2.5 7 31 A G T 3 S+ 0 0 53 24,-2.7 -1,-0.3 1,-0.3 25,-0.2 0.379 96.0 137.2 73.3 -5.4 12.8 -8.9 -5.2 8 32 A E < - 0 0 39 -3,-1.8 25,-2.9 1,-0.1 2,-0.7 -0.499 62.0-116.5 -70.2 143.0 13.7 -11.8 -2.9 9 33 A I E -a 33 0A 27 75,-0.4 77,-2.7 23,-0.2 78,-2.2 -0.761 37.0-172.3 -82.7 111.7 11.3 -14.8 -2.9 10 34 A V E -ab 34 87A 0 23,-3.0 25,-3.0 -2,-0.7 2,-0.5 -0.945 6.7-163.7-111.5 121.6 9.9 -14.9 0.6 11 35 A L E -ab 35 88A 0 76,-2.9 78,-3.3 -2,-0.5 2,-0.5 -0.924 6.1-172.7-110.1 126.6 7.7 -17.9 1.6 12 36 A I E > -ab 36 89A 0 23,-2.4 25,-2.8 -2,-0.5 3,-0.6 -0.977 9.6-153.4-122.1 121.4 5.6 -17.6 4.7 13 37 A T E 3 S+a 37 0A 4 76,-2.2 25,-0.2 -2,-0.5 78,-0.1 -0.628 83.4 25.9 -89.2 150.5 3.6 -20.5 6.2 14 38 A G T > S+ 0 0 3 23,-0.6 3,-0.9 -2,-0.2 7,-0.4 0.833 77.8 148.5 65.6 34.0 0.6 -19.7 8.3 15 39 A A T < + 0 0 0 22,-2.5 23,-0.2 -3,-0.6 -1,-0.1 0.463 49.2 78.8 -80.8 -1.7 0.2 -16.4 6.4 16 40 A G T 3 S+ 0 0 3 21,-0.3 2,-0.3 31,-0.1 -1,-0.2 0.521 102.5 11.9 -86.3 -4.2 -3.6 -16.3 6.6 17 41 A H S X> S- 0 0 89 -3,-0.9 4,-1.6 27,-0.0 3,-0.8 -0.983 103.4 -3.7-160.2 163.6 -3.7 -15.1 10.2 18 42 A G H 3> S- 0 0 42 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.061 117.4 -6.1 59.6-141.7 -1.8 -13.7 13.2 19 43 A I H 3> S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.817 133.8 56.6 -57.8 -40.0 1.9 -13.1 13.1 20 44 A G H <> S+ 0 0 1 -3,-0.8 4,-2.3 -6,-0.4 -1,-0.2 0.927 108.5 47.1 -63.0 -44.3 2.3 -14.8 9.7 21 45 A R H X S+ 0 0 44 -4,-1.6 4,-1.9 -7,-0.4 -2,-0.2 0.953 114.4 45.8 -58.9 -52.9 -0.2 -12.3 8.2 22 46 A L H X S+ 0 0 54 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.832 111.0 54.1 -61.3 -33.5 1.5 -9.3 9.8 23 47 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.921 105.0 53.7 -67.8 -43.3 4.9 -10.6 8.7 24 48 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.923 106.0 53.9 -56.3 -43.1 3.6 -10.9 5.1 25 49 A Y H X S+ 0 0 25 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.896 108.1 50.1 -60.1 -38.4 2.6 -7.2 5.3 26 50 A E H X S+ 0 0 49 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.914 111.8 45.7 -69.5 -41.3 6.1 -6.2 6.4 27 51 A F H <>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 -1,-0.2 0.864 109.7 56.9 -65.8 -35.3 7.8 -8.1 3.6 28 52 A A H ><5S+ 0 0 0 -4,-2.5 3,-2.0 -5,-0.2 -2,-0.2 0.939 104.0 52.1 -58.8 -48.0 5.2 -6.6 1.2 29 53 A K H 3<5S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.807 107.3 54.0 -57.5 -30.3 6.3 -3.1 2.3 30 54 A L T 3<5S- 0 0 61 -4,-1.1 -25,-0.3 -5,-0.1 -1,-0.3 0.362 115.2-117.5 -87.3 4.1 9.9 -4.1 1.5 31 55 A K T < 5 + 0 0 109 -3,-2.0 -24,-2.7 1,-0.2 -3,-0.2 0.779 58.0 155.4 61.9 33.7 8.9 -5.2 -2.0 32 56 A S < - 0 0 3 -5,-1.9 2,-0.6 -26,-0.3 25,-0.5 -0.435 52.7-107.8 -72.4 162.0 9.8 -8.8 -1.7 33 57 A K E -a 9 0A 23 -25,-2.9 -23,-3.0 -28,-0.3 2,-0.4 -0.866 44.9-143.4 -90.9 121.5 8.1 -11.4 -4.0 34 58 A L E -ac 10 58A 0 23,-3.0 25,-2.3 -2,-0.6 2,-0.5 -0.746 26.5-175.8-103.9 134.0 5.7 -13.2 -1.7 35 59 A V E -ac 11 59A 0 -25,-3.0 -23,-2.4 -2,-0.4 2,-0.5 -0.987 19.2-166.6-117.8 117.2 4.7 -16.8 -1.6 36 60 A L E -ac 12 60A 0 23,-2.9 25,-2.2 -2,-0.5 2,-0.4 -0.913 6.7-172.6-113.9 129.3 2.0 -17.2 1.1 37 61 A W E +ac 13 61A 0 -25,-2.8 -22,-2.5 -2,-0.5 -23,-0.6 -0.950 16.0 148.9-118.1 136.8 0.8 -20.6 2.4 38 62 A D E - c 0 62A 7 23,-1.4 25,-1.7 -2,-0.4 26,-0.1 -0.964 47.8-131.3-157.5 154.6 -2.1 -21.2 4.8 39 63 A I S S+ 0 0 106 -2,-0.3 2,-0.7 23,-0.2 25,-0.1 0.744 94.6 73.4 -74.2 -23.4 -4.7 -24.0 5.4 40 64 A N > - 0 0 87 1,-0.2 4,-2.4 23,-0.1 5,-0.2 -0.821 64.4-164.2-102.5 111.6 -7.5 -21.4 5.4 41 65 A K H > S+ 0 0 99 -2,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.879 87.5 50.7 -62.4 -41.3 -8.3 -20.1 1.9 42 66 A H H > S+ 0 0 141 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.951 113.0 44.0 -65.3 -47.6 -10.3 -17.0 3.1 43 67 A G H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.920 113.8 53.1 -62.5 -41.9 -7.6 -15.8 5.5 44 68 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.923 108.3 48.5 -58.2 -48.4 -5.0 -16.4 2.9 45 69 A E H X S+ 0 0 66 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.843 110.2 51.8 -64.3 -36.3 -6.8 -14.4 0.3 46 70 A E H X S+ 0 0 67 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.934 111.1 47.7 -62.9 -48.3 -7.3 -11.4 2.7 47 71 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.948 113.0 49.2 -57.0 -48.1 -3.6 -11.4 3.5 48 72 A A H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.888 107.9 52.5 -63.2 -41.6 -2.7 -11.5 -0.2 49 73 A A H X S+ 0 0 62 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.930 111.8 45.9 -61.2 -46.0 -5.0 -8.7 -1.3 50 74 A K H X S+ 0 0 112 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.886 109.8 54.7 -64.0 -39.1 -3.6 -6.4 1.4 51 75 A C H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-0.5 0.894 107.4 50.5 -62.1 -39.2 -0.0 -7.4 0.4 52 76 A K H ><5S+ 0 0 130 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.932 108.3 52.2 -61.5 -44.6 -0.8 -6.4 -3.2 53 77 A G H 3<5S+ 0 0 72 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.858 103.5 58.1 -57.5 -35.4 -2.2 -3.1 -1.9 54 78 A L T 3<5S- 0 0 64 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.607 128.3-100.4 -72.8 -10.8 1.2 -2.7 -0.1 55 79 A G T < 5S+ 0 0 35 -3,-1.5 2,-0.2 -4,-0.5 -3,-0.2 0.454 76.7 131.6 110.3 6.7 2.9 -3.0 -3.5 56 80 A A < - 0 0 11 -5,-2.1 2,-0.4 -23,-0.0 -1,-0.3 -0.560 59.0-121.6 -93.1 149.9 4.1 -6.6 -3.6 57 81 A K - 0 0 109 -25,-0.5 -23,-3.0 -2,-0.2 2,-0.4 -0.755 43.8-171.9 -76.1 135.2 3.9 -9.4 -6.1 58 82 A V E -c 34 0A 16 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.996 22.0-175.2-140.9 135.2 2.1 -12.2 -4.3 59 83 A H E -c 35 0A 84 -25,-2.3 -23,-2.9 -2,-0.4 2,-0.4 -0.980 14.9-156.2-126.1 145.2 1.3 -15.9 -5.0 60 84 A T E -c 36 0A 62 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.929 11.5-176.3-124.8 147.6 -0.9 -18.1 -2.7 61 85 A F E -c 37 0A 25 -25,-2.2 -23,-1.4 -2,-0.4 2,-0.7 -0.990 26.3-132.8-138.5 131.3 -1.2 -21.8 -2.1 62 86 A V E +c 38 0A 76 -2,-0.4 2,-0.4 -25,-0.2 -23,-0.2 -0.771 42.2 169.4 -79.1 116.1 -3.7 -23.5 0.2 63 87 A V - 0 0 1 -25,-1.7 2,-0.9 -2,-0.7 -49,-0.2 -0.995 36.2-146.0-139.2 129.5 -1.4 -25.9 2.1 64 88 A D > - 0 0 50 -2,-0.4 3,-2.2 1,-0.1 7,-0.3 -0.841 13.8-162.2 -91.2 103.4 -2.0 -28.1 5.2 65 89 A C T 3 S+ 0 0 11 -2,-0.9 -1,-0.1 1,-0.3 53,-0.1 0.446 85.1 70.5 -74.4 2.3 1.4 -28.1 6.9 66 90 A S T 3 S+ 0 0 21 1,-0.1 2,-0.6 51,-0.1 -1,-0.3 0.529 90.4 75.5 -81.2 -7.3 0.5 -31.2 8.9 67 91 A N <> - 0 0 74 -3,-2.2 4,-2.1 1,-0.2 3,-0.3 -0.893 63.7-167.1-115.7 104.7 0.7 -33.0 5.6 68 92 A R H > S+ 0 0 64 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.853 90.4 52.6 -55.4 -43.3 4.2 -33.7 4.3 69 93 A E H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 108.0 51.7 -65.8 -36.9 3.1 -34.7 0.8 70 94 A D H > S+ 0 0 44 -3,-0.3 4,-2.2 -6,-0.2 5,-0.2 0.902 109.1 51.4 -63.6 -43.7 1.0 -31.4 0.5 71 95 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 -7,-0.3 -2,-0.2 0.949 113.5 43.6 -59.5 -47.3 4.1 -29.4 1.5 72 96 A Y H X S+ 0 0 66 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.892 112.9 49.7 -69.6 -39.8 6.3 -31.1 -1.2 73 97 A S H X S+ 0 0 63 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.917 114.6 46.3 -64.8 -39.4 3.7 -31.0 -4.0 74 98 A S H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.893 109.9 53.1 -68.6 -39.9 3.2 -27.3 -3.2 75 99 A A H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.884 106.0 54.8 -60.6 -38.8 7.0 -26.7 -3.1 76 100 A K H X S+ 0 0 159 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.926 108.7 48.1 -61.0 -43.0 7.3 -28.3 -6.5 77 101 A K H X S+ 0 0 63 -4,-1.7 4,-2.7 2,-0.2 5,-0.4 0.885 109.7 52.7 -63.7 -40.5 4.7 -25.8 -7.9 78 102 A V H X>S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-2.5 0.939 110.6 47.0 -60.2 -47.1 6.6 -22.9 -6.3 79 103 A K H <5S+ 0 0 99 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.900 118.7 40.7 -62.7 -42.8 9.9 -23.9 -7.9 80 104 A A H <5S+ 0 0 88 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.854 127.0 30.2 -73.3 -37.9 8.3 -24.4 -11.3 81 105 A E H <5S+ 0 0 131 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.724 136.0 13.8 -98.1 -27.9 6.0 -21.4 -11.3 82 106 A I T <5S- 0 0 33 -4,-2.6 2,-0.3 -5,-0.4 -3,-0.2 0.756 97.8-116.5-121.1 -54.3 7.7 -18.8 -9.2 83 107 A G < - 0 0 20 -5,-2.5 2,-0.6 -74,-0.0 -1,-0.3 -0.946 52.2 -20.3 145.1-161.3 11.4 -19.7 -8.6 84 108 A D - 0 0 81 -2,-0.3 -75,-0.4 -4,-0.1 42,-0.1 -0.728 60.4-125.4 -87.7 118.8 13.8 -20.5 -5.8 85 109 A V + 0 0 3 -2,-0.6 -75,-0.2 1,-0.2 3,-0.1 -0.357 27.4 179.4 -55.9 130.6 12.7 -19.4 -2.3 86 110 A S S S+ 0 0 9 -77,-2.7 51,-1.6 1,-0.3 2,-0.5 0.696 72.0 38.4-106.7 -29.0 15.4 -17.3 -0.7 87 111 A I E -bd 10 137A 1 -78,-2.2 -76,-2.9 49,-0.2 2,-0.6 -0.976 69.3-168.9-123.4 119.2 13.8 -16.5 2.7 88 112 A L E -bd 11 138A 0 49,-2.7 51,-3.4 -2,-0.5 2,-0.7 -0.928 2.4-166.1-108.2 118.9 11.7 -19.3 4.3 89 113 A V E -bd 12 139A 0 -78,-3.3 -76,-2.2 -2,-0.6 2,-1.2 -0.891 4.8-160.8-109.1 101.7 9.6 -18.3 7.3 90 114 A N E + d 0 140A 2 49,-2.7 51,-2.3 -2,-0.7 -78,-0.1 -0.719 40.9 133.5 -83.7 95.8 8.4 -21.4 9.1 91 115 A N + 0 0 20 -2,-1.2 -1,-0.2 49,-0.1 -77,-0.2 0.629 19.6 120.7-122.0 -25.1 5.4 -19.9 11.0 92 116 A A - 0 0 12 -3,-0.3 2,-0.3 1,-0.1 -78,-0.1 -0.126 41.2-170.3 -48.1 141.0 2.4 -22.2 10.7 93 117 A G - 0 0 30 22,-0.0 2,-0.1 -79,-0.0 -28,-0.1 -0.921 26.9 -95.7-132.7 157.9 1.1 -23.5 14.0 94 118 A V - 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