==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-APR-11 3RIH . COMPND 2 MOLECULE: SHORT CHAIN DEHYDROGENASE OR REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ABSCESSUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1039 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 755 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 14.2 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 . 4 0.4 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 . 53 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 357 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.9 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 3 1 0 5 5 3 0 4 9 0 0 4 0 1 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 4 12 8 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 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 12 A K 0 0 158 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.4 88.3 -63.1 -20.3 2 13 A V > - 0 0 107 1,-0.0 3,-0.9 2,-0.0 2,-0.2 -0.726 360.0-129.8 -87.0 123.5 89.2 -61.8 -16.8 3 14 A M T 3 S+ 0 0 49 -2,-0.5 -1,-0.0 1,-0.2 229,-0.0 -0.541 86.9 6.3 -74.5 135.5 86.2 -60.5 -14.9 4 15 A F T 3 S- 0 0 12 -2,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.851 86.3-176.0 62.9 37.1 86.7 -57.0 -13.3 5 16 A D < + 0 0 68 -3,-0.9 228,-0.4 1,-0.1 -1,-0.2 -0.485 21.2 165.0 -69.3 129.3 90.1 -56.5 -15.0 6 17 A L > + 0 0 2 25,-0.5 3,-2.2 -2,-0.2 -1,-0.1 0.243 43.3 109.3-121.2 8.1 91.8 -53.2 -13.9 7 18 A S T 3 S+ 0 0 71 1,-0.3 25,-0.1 26,-0.1 -2,-0.0 0.663 79.5 51.1 -67.0 -15.8 95.3 -54.0 -15.2 8 19 A A T 3 S+ 0 0 70 25,-0.1 -1,-0.3 50,-0.0 2,-0.2 0.306 90.2 111.7 -98.5 9.4 95.0 -51.5 -18.1 9 20 A R < - 0 0 5 -3,-2.2 25,-2.5 19,-0.1 2,-0.5 -0.546 53.1-154.2 -89.0 152.0 93.9 -48.6 -15.8 10 21 A S E -a 34 0A 5 -2,-0.2 79,-1.9 23,-0.2 78,-1.5 -0.974 25.6-168.9-123.6 114.1 95.8 -45.4 -14.9 11 22 A V E -ab 35 89A 0 23,-2.6 25,-3.2 -2,-0.5 2,-0.5 -0.831 21.2-161.0-117.9 134.2 94.5 -44.1 -11.5 12 23 A L E -ab 36 90A 3 77,-2.5 79,-3.3 -2,-0.4 2,-0.6 -0.972 11.1-171.3-107.9 123.1 95.0 -40.9 -9.5 13 24 A V E > -ab 37 91A 0 23,-2.9 25,-2.9 -2,-0.5 3,-0.7 -0.944 11.4-151.0-114.4 110.7 94.2 -41.1 -5.8 14 25 A T T 3 S+ 0 0 1 77,-2.4 79,-0.2 -2,-0.6 25,-0.1 -0.519 85.4 14.6 -78.4 148.6 94.1 -37.8 -4.0 15 26 A G T > S+ 0 0 28 -2,-0.2 3,-0.6 23,-0.2 6,-0.3 0.906 89.9 151.5 49.4 44.2 95.1 -37.9 -0.2 16 27 A G T < + 0 0 0 22,-2.4 9,-0.2 -3,-0.7 23,-0.1 0.521 45.9 70.2 -87.2 -5.7 96.4 -41.4 -1.1 17 28 A T T 3 S+ 0 0 5 21,-0.5 2,-0.3 8,-0.1 -1,-0.2 0.599 101.2 38.3 -88.0 -11.5 99.3 -41.9 1.4 18 29 A K S X> S- 0 0 120 -3,-0.6 4,-1.3 30,-0.0 3,-0.8 -0.951 102.7 -23.5-139.2 155.6 97.0 -42.3 4.5 19 30 A G H 3> S- 0 0 28 -2,-0.3 4,-1.7 1,-0.2 3,-0.2 -0.085 121.8 -1.7 55.6-134.3 93.8 -43.7 5.8 20 31 A I H 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 133.7 56.2 -58.4 -43.5 91.0 -44.4 3.4 21 32 A G H <> S+ 0 0 1 -3,-0.8 4,-2.4 -6,-0.3 -1,-0.2 0.864 105.7 51.1 -60.0 -38.8 93.0 -43.0 0.4 22 33 A R H X S+ 0 0 120 -4,-1.3 4,-2.4 -3,-0.2 -1,-0.2 0.869 107.6 53.6 -65.6 -37.9 95.8 -45.5 1.2 23 34 A G H X S+ 0 0 5 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.894 110.3 47.3 -58.8 -42.0 93.2 -48.3 1.2 24 35 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.940 112.9 47.6 -66.6 -46.2 92.0 -47.2 -2.3 25 36 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.899 109.6 54.9 -61.4 -40.6 95.6 -47.0 -3.6 26 37 A T H X S+ 0 0 16 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.911 108.6 46.6 -60.2 -46.8 96.4 -50.4 -2.2 27 38 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.927 113.4 47.9 -65.0 -45.4 93.5 -52.2 -3.9 28 39 A F H <>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 4,-0.3 0.889 111.9 51.3 -62.1 -37.6 94.3 -50.5 -7.3 29 40 A A H ><5S+ 0 0 2 -4,-2.5 3,-1.5 1,-0.2 29,-0.4 0.934 109.9 48.4 -64.7 -47.7 98.0 -51.5 -6.9 30 41 A R H 3<5S+ 0 0 132 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.827 105.4 60.1 -57.2 -33.7 97.1 -55.1 -6.2 31 42 A A T 3<5S- 0 0 25 -4,-1.9 -25,-0.5 -5,-0.2 -1,-0.2 0.532 120.0-110.0 -78.1 -3.3 94.8 -55.1 -9.2 32 43 A G T < 5 + 0 0 9 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.520 69.3 142.7 91.0 7.4 97.8 -54.3 -11.4 33 44 A A < - 0 0 0 -5,-2.1 2,-0.4 25,-0.1 25,-0.3 -0.345 60.4-106.0 -73.2 157.2 96.8 -50.7 -12.3 34 45 A N E -a 10 0A 27 -25,-2.5 -23,-2.6 24,-0.2 2,-0.4 -0.722 45.9-164.5 -68.9 134.4 99.2 -47.7 -12.7 35 46 A V E -ac 11 60A 0 24,-2.4 26,-2.3 -2,-0.4 2,-0.6 -0.977 20.4-163.0-135.1 119.8 98.6 -45.6 -9.5 36 47 A A E -ac 12 61A 0 -25,-3.2 -23,-2.9 -2,-0.4 2,-0.7 -0.915 14.3-156.5 -95.3 118.4 99.6 -42.1 -8.7 37 48 A V E -ac 13 62A 0 24,-3.2 26,-1.9 -2,-0.6 2,-0.3 -0.859 14.2-159.1 -98.3 109.8 99.4 -41.6 -4.9 38 49 A A E + c 0 63A 0 -25,-2.9 -22,-2.4 -2,-0.7 -21,-0.5 -0.725 18.8 158.6-100.6 144.2 98.9 -37.8 -4.3 39 50 A A E - c 0 64A 10 24,-2.0 26,-2.3 -2,-0.3 4,-0.1 -0.983 54.1-109.6-153.7 156.5 99.7 -35.9 -1.1 40 51 A R S S+ 0 0 162 -2,-0.3 -1,-0.1 1,-0.3 26,-0.1 0.913 121.8 7.8 -51.0 -45.1 100.4 -32.4 0.3 41 52 A S S > S- 0 0 36 1,-0.1 3,-1.2 23,-0.1 4,-0.4 -0.772 71.5-176.0-141.2 94.1 103.9 -33.8 0.9 42 53 A P G > S+ 0 0 17 0, 0.0 3,-1.2 0, 0.0 7,-0.2 0.764 78.6 68.1 -61.4 -27.4 104.5 -37.3 -0.7 43 54 A R G > S+ 0 0 189 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.751 85.2 69.3 -69.3 -27.2 108.1 -37.6 0.7 44 55 A E G < S+ 0 0 116 -3,-1.2 -1,-0.3 1,-0.2 3,-0.1 0.840 116.9 24.2 -55.1 -35.1 106.8 -37.9 4.2 45 56 A L G X> S+ 0 0 49 -3,-1.2 3,-1.6 -4,-0.4 4,-1.4 -0.004 76.5 132.5-124.3 32.6 105.4 -41.3 3.3 46 57 A S H <> S+ 0 0 72 -3,-1.0 4,-2.5 1,-0.3 5,-0.1 0.739 71.8 63.7 -55.1 -24.6 107.6 -42.4 0.3 47 58 A S H 3> S+ 0 0 86 2,-0.2 4,-2.0 -4,-0.2 -1,-0.3 0.847 101.3 50.2 -71.7 -30.9 108.0 -45.8 2.0 48 59 A V H <> S+ 0 0 13 -3,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.946 111.8 47.1 -66.6 -48.3 104.2 -46.4 1.6 49 60 A T H X S+ 0 0 11 -4,-1.4 4,-1.5 -7,-0.2 -2,-0.2 0.908 111.0 52.2 -60.8 -42.0 104.3 -45.5 -2.0 50 61 A A H < S+ 0 0 65 -4,-2.5 4,-0.5 1,-0.2 3,-0.2 0.924 108.8 50.0 -61.3 -45.9 107.4 -47.8 -2.6 51 62 A E H >< S+ 0 0 49 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.863 106.7 54.8 -58.4 -39.2 105.6 -50.7 -0.9 52 63 A L H >< S+ 0 0 8 -4,-2.1 3,-1.7 1,-0.3 4,-0.4 0.864 98.3 65.6 -61.9 -34.8 102.5 -50.2 -3.2 53 64 A G T 3< S+ 0 0 31 -4,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.690 98.9 52.7 -59.1 -21.1 104.9 -50.4 -6.1 54 65 A E T < S+ 0 0 166 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.503 89.6 78.8 -94.0 -4.9 105.6 -54.1 -5.2 55 66 A L S < S- 0 0 75 -3,-1.7 2,-0.2 -4,-0.3 -1,-0.2 0.689 102.5 -5.4 -82.2 -19.9 101.9 -55.2 -5.1 56 67 A G S S- 0 0 31 -4,-0.4 -26,-0.1 -3,-0.3 -25,-0.1 -0.883 79.9 -81.6-158.5-172.4 101.2 -55.6 -8.9 57 68 A A S S+ 0 0 104 -2,-0.2 -24,-0.1 -27,-0.2 -27,-0.1 0.622 91.2 95.1 -81.3 -11.8 102.4 -55.2 -12.4 58 69 A G S S- 0 0 13 -29,-0.4 2,-0.4 -25,-0.3 -2,-0.2 -0.220 81.8-101.3 -78.5 164.0 101.6 -51.4 -12.7 59 70 A N - 0 0 105 -27,-0.1 -24,-2.4 25,-0.1 2,-0.5 -0.739 36.5-166.7 -82.9 127.6 103.7 -48.3 -12.1 60 71 A V E +c 35 0A 25 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.982 14.9 163.0-120.0 130.0 103.1 -46.7 -8.7 61 72 A I E -c 36 0A 58 -26,-2.3 -24,-3.2 -2,-0.5 2,-0.3 -0.942 34.7-116.2-139.4 159.5 104.4 -43.2 -8.0 62 73 A G E -c 37 0A 35 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.708 27.2-171.5 -92.0 152.1 104.0 -40.3 -5.6 63 74 A V E -c 38 0A 9 -26,-1.9 -24,-2.0 -2,-0.3 2,-0.3 -0.990 21.4-126.1-142.1 133.3 102.7 -36.9 -6.7 64 75 A R E +c 39 0A 141 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.656 38.5 163.7 -84.5 139.1 102.5 -33.6 -4.8 65 76 A L - 0 0 12 -26,-2.3 2,-0.7 -2,-0.3 -50,-0.2 -0.926 35.4-164.5-161.2 124.6 99.2 -31.9 -4.7 66 77 A D > - 0 0 79 -2,-0.3 3,-2.1 3,-0.2 7,-0.3 -0.945 21.1-160.8-103.6 98.5 97.4 -29.3 -2.7 67 78 A V T 3 S+ 0 0 12 -2,-0.7 56,-0.2 1,-0.3 6,-0.1 0.767 84.9 61.9 -57.1 -28.1 93.8 -30.0 -3.8 68 79 A S T 3 S+ 0 0 37 -3,-0.1 -1,-0.3 55,-0.1 48,-0.0 0.614 90.6 79.1 -73.7 -11.0 92.5 -26.6 -2.7 69 80 A D <> - 0 0 74 -3,-2.1 4,-2.0 1,-0.1 -3,-0.2 -0.870 68.2-157.0-103.4 114.2 94.8 -24.9 -5.3 70 81 A P H > S+ 0 0 47 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.863 94.6 52.2 -61.4 -32.6 93.5 -25.1 -8.8 71 82 A G H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.879 107.8 51.5 -68.0 -39.4 97.1 -24.6 -10.3 72 83 A S H > S+ 0 0 20 -6,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 108.6 51.4 -63.5 -42.5 98.3 -27.5 -8.2 73 84 A C H X S+ 0 0 5 -4,-2.0 4,-2.2 -7,-0.3 -2,-0.2 0.928 111.1 47.9 -59.6 -48.1 95.5 -29.7 -9.5 74 85 A A H X S+ 0 0 43 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.894 111.6 50.4 -59.3 -44.3 96.4 -28.8 -13.1 75 86 A D H X S+ 0 0 80 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.917 110.7 49.3 -59.3 -45.3 100.1 -29.5 -12.5 76 87 A A H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.898 110.0 49.8 -65.5 -40.8 99.3 -32.9 -10.9 77 88 A A H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.918 112.4 47.7 -63.7 -45.4 97.0 -34.0 -13.8 78 89 A R H X S+ 0 0 136 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.935 112.5 50.4 -57.0 -47.5 99.7 -33.0 -16.4 79 90 A T H X S+ 0 0 69 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.913 111.8 47.0 -57.0 -47.0 102.3 -34.9 -14.3 80 91 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 6,-0.4 0.910 112.7 47.8 -66.0 -44.1 100.2 -38.1 -14.2 81 92 A V H X S+ 0 0 47 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.924 113.8 48.3 -64.5 -43.1 99.3 -38.1 -17.9 82 93 A D H < S+ 0 0 127 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.908 115.6 46.7 -56.4 -44.0 103.0 -37.5 -18.7 83 94 A A H < S+ 0 0 56 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.938 127.9 20.3 -66.0 -49.6 104.0 -40.4 -16.3 84 95 A F H < S- 0 0 28 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.2 0.594 93.7-121.9-101.3 -18.7 101.4 -43.0 -17.4 85 96 A G S < S+ 0 0 66 -4,-2.4 2,-0.3 -5,-0.4 -4,-0.2 0.451 90.3 35.4 84.8 0.1 100.4 -42.0 -20.9 86 97 A A - 0 0 35 -6,-0.4 -2,-0.3 -5,-0.1 2,-0.2 -0.962 56.9-156.3-168.6 166.7 96.7 -41.9 -19.7 87 98 A L + 0 0 1 44,-0.3 48,-0.2 -2,-0.3 -76,-0.2 -0.658 30.5 150.2-156.4 95.8 94.5 -41.0 -16.7 88 99 A D + 0 0 9 -78,-1.5 51,-1.8 1,-0.2 2,-0.4 0.510 60.4 51.6-115.7 -3.6 91.2 -42.8 -16.8 89 100 A V E -bd 11 139A 0 -79,-1.9 -77,-2.5 49,-0.2 2,-0.5 -0.983 59.8-174.8-132.2 123.4 90.3 -43.2 -13.1 90 101 A V E -bd 12 140A 0 49,-2.9 51,-3.0 -2,-0.4 2,-0.9 -0.956 9.0-166.0-121.8 120.4 90.2 -40.4 -10.6 91 102 A C E -bd 13 141A 0 -79,-3.3 -77,-2.4 -2,-0.5 2,-1.7 -0.860 6.7-162.6-101.1 98.6 89.5 -41.0 -6.9 92 103 A A E + d 0 142A 0 49,-1.7 51,-2.3 -2,-0.9 -79,-0.1 -0.671 39.0 140.0 -82.5 88.4 88.8 -37.6 -5.5 93 104 A N + 0 0 16 -2,-1.7 -1,-0.2 49,-0.2 -78,-0.1 0.663 18.6 116.6-108.8 -26.5 89.4 -38.7 -2.0 94 105 A A + 0 0 16 -3,-0.3 2,-0.3 26,-0.1 -79,-0.1 -0.198 36.3 142.1 -58.1 138.2 91.3 -35.9 -0.2 95 106 A G - 0 0 32 25,-0.1 2,-0.3 -80,-0.0 18,-0.1 -0.942 35.9-142.3-171.2 151.5 89.4 -34.3 2.7 96 107 A I - 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