==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-SEP-11 3TN7 . COMPND 2 MOLECULE: SHORT-CHAIN ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS SIBIRICUS; . AUTHOR K.M.BOYKO,K.M.POLYAKOV,E.Y.BEZSUDNOVA,T.N.STEKHANOVA,V.M.GUM . 468 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.6 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 . 35 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 0 0 0 0 0 2 4 0 0 4 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 6 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 1 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 0 0 0 0 0 0 0 1 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 1 A M 0 0 208 0, 0.0 2,-0.3 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -17.8 29.4 12.8 3.8 2 2 A K - 0 0 79 23,-0.4 25,-3.1 2,-0.0 2,-0.4 -0.975 360.0-147.2-131.6 155.1 32.3 11.2 5.8 3 3 A V E -a 27 0A 14 -2,-0.3 78,-2.6 23,-0.2 79,-1.9 -0.957 8.7-168.8-126.5 125.3 35.6 9.7 4.7 4 4 A A E -ab 28 82A 0 23,-2.9 25,-2.4 -2,-0.4 2,-0.4 -0.966 7.3-157.0-115.3 125.7 37.4 6.8 6.4 5 5 A V E -ab 29 83A 0 77,-3.1 79,-3.3 -2,-0.5 2,-0.4 -0.846 13.9-169.8 -96.3 136.0 41.0 5.8 5.5 6 6 A I E -ab 30 84A 0 23,-2.7 25,-2.4 -2,-0.4 3,-0.4 -0.982 8.7-159.3-132.0 120.7 41.9 2.2 6.4 7 7 A T E S+a 31 0A 2 77,-2.8 79,-0.3 -2,-0.4 25,-0.2 -0.680 82.7 27.7 -94.9 154.7 45.4 0.7 6.3 8 8 A G S S+ 0 0 15 23,-1.1 6,-0.5 -2,-0.3 3,-0.4 0.943 78.6 147.6 54.3 47.2 45.7 -3.0 6.1 9 9 A A + 0 0 0 22,-1.8 23,-0.2 -3,-0.4 -2,-0.1 0.440 43.4 85.6 -90.3 -4.2 42.4 -3.1 4.3 10 10 A S S S- 0 0 6 21,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.660 103.9 -16.7 -73.7 -21.9 43.1 -6.1 2.1 11 11 A R S >> S+ 0 0 79 -3,-0.4 4,-1.6 27,-0.0 3,-0.7 -0.958 102.7 21.7-163.7 179.4 42.1 -8.6 4.7 12 12 A G H 3> S- 0 0 14 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.059 116.3 -5.1 58.7-137.7 41.3 -9.4 8.3 13 13 A I H 3> S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 134.8 51.8 -60.8 -40.1 40.3 -6.7 10.8 14 14 A G H <> S+ 0 0 0 -3,-0.7 4,-2.4 -6,-0.5 -5,-0.2 0.928 110.3 46.9 -66.8 -46.8 40.9 -3.8 8.3 15 15 A E H X S+ 0 0 32 -4,-1.6 4,-2.6 -7,-0.4 -1,-0.2 0.924 111.9 52.1 -55.6 -47.3 38.8 -5.3 5.6 16 16 A A H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.925 109.4 49.0 -58.9 -42.0 36.0 -6.0 8.1 17 17 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.917 109.7 52.8 -63.1 -41.6 36.1 -2.4 9.3 18 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.944 111.0 46.6 -58.8 -45.5 35.9 -1.2 5.7 19 19 A R H X S+ 0 0 59 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.926 113.9 47.8 -63.7 -43.9 32.8 -3.4 5.2 20 20 A A H X S+ 0 0 2 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.937 113.2 46.6 -65.8 -45.6 31.2 -2.2 8.4 21 21 A L H <>S+ 0 0 0 -4,-3.1 5,-2.1 1,-0.2 -1,-0.2 0.857 107.0 58.2 -66.5 -33.6 31.8 1.5 7.7 22 22 A A H ><5S+ 0 0 1 -4,-2.3 3,-1.7 -5,-0.3 -1,-0.2 0.889 99.2 59.0 -60.2 -37.7 30.6 1.1 4.2 23 23 A R H 3<5S+ 0 0 127 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.863 105.6 50.7 -55.6 -36.9 27.2 -0.2 5.7 24 24 A D T 3<5S- 0 0 61 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.337 124.5-106.8 -84.3 6.0 27.1 3.2 7.4 25 25 A G T < 5 + 0 0 41 -3,-1.7 -23,-0.4 1,-0.2 -3,-0.2 0.593 62.6 156.9 84.7 12.9 27.7 5.0 4.2 26 26 A Y < - 0 0 19 -5,-2.1 2,-0.3 -25,-0.1 -1,-0.2 -0.465 44.1-124.2 -67.7 140.0 31.3 6.2 4.7 27 27 A A E -a 3 0A 10 -25,-3.1 -23,-2.9 24,-0.1 2,-0.4 -0.630 36.8-142.5 -72.6 145.4 33.4 6.9 1.7 28 28 A L E -ac 4 53A 0 24,-2.6 26,-3.1 -2,-0.3 2,-0.5 -0.924 26.5-169.5-124.7 142.8 36.5 4.8 1.9 29 29 A A E -ac 5 54A 0 -25,-2.4 -23,-2.7 -2,-0.4 2,-0.4 -0.964 24.4-163.9-125.9 109.9 40.2 5.1 1.1 30 30 A L E -ac 6 55A 0 24,-2.7 26,-1.8 -2,-0.5 2,-0.4 -0.826 8.8-176.7-105.2 133.9 41.8 1.6 1.4 31 31 A G E +ac 7 56A 0 -25,-2.4 -22,-1.8 -2,-0.4 -23,-1.1 -0.991 22.5 116.8-132.1 137.8 45.6 0.9 1.6 32 32 A A E - c 0 57A 7 24,-0.8 26,-2.0 -2,-0.4 27,-0.1 -0.911 66.1-100.8-174.7 176.3 47.6 -2.3 1.7 33 33 A R S S+ 0 0 129 -2,-0.3 2,-1.5 24,-0.2 3,-0.2 0.762 103.8 79.1 -84.4 -26.1 50.2 -4.0 -0.4 34 34 A S > + 0 0 27 1,-0.2 4,-2.1 24,-0.1 3,-0.2 -0.635 54.6 171.3 -84.3 84.7 47.8 -6.4 -2.0 35 35 A V H > S+ 0 0 48 -2,-1.5 4,-2.8 1,-0.2 5,-0.2 0.851 74.2 61.3 -68.8 -35.7 46.2 -4.1 -4.6 36 36 A D H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 107.1 46.2 -49.2 -48.0 44.3 -7.0 -6.2 37 37 A R H > S+ 0 0 58 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.938 111.5 50.9 -64.9 -49.5 42.5 -7.5 -2.9 38 38 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.908 109.4 50.4 -54.6 -45.9 41.8 -3.8 -2.4 39 39 A E H X S+ 0 0 84 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.900 111.3 49.2 -59.0 -41.3 40.3 -3.5 -5.9 40 40 A K H X S+ 0 0 147 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.944 114.6 43.6 -67.1 -44.6 38.1 -6.6 -5.3 41 41 A I H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.939 113.3 53.4 -63.4 -47.4 36.8 -5.2 -2.0 42 42 A A H X S+ 0 0 1 -4,-3.0 4,-2.5 -5,-0.2 5,-0.2 0.927 108.0 48.1 -57.0 -46.8 36.4 -1.7 -3.5 43 43 A H H X S+ 0 0 91 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.908 112.8 49.6 -64.8 -39.7 34.2 -2.8 -6.4 44 44 A E H X S+ 0 0 82 -4,-1.6 4,-3.1 -5,-0.2 5,-0.4 0.943 113.1 44.5 -60.5 -51.6 32.0 -4.8 -4.2 45 45 A L H X>S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 6,-1.1 0.876 110.6 55.1 -67.0 -35.3 31.5 -2.1 -1.6 46 46 A M H X5S+ 0 0 86 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.948 119.1 33.1 -59.8 -47.7 30.8 0.5 -4.3 47 47 A Q H <5S+ 0 0 163 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.918 125.7 38.3 -73.7 -48.7 28.1 -1.6 -5.9 48 48 A E H <5S+ 0 0 129 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.781 130.8 26.8 -79.6 -30.3 26.6 -3.3 -2.9 49 49 A Q H <5S- 0 0 81 -4,-2.0 -3,-0.2 -5,-0.4 -1,-0.2 0.456 96.9-128.6-109.7 -10.0 26.8 -0.4 -0.3 50 50 A G << + 0 0 67 -4,-0.8 2,-0.2 -5,-0.5 -4,-0.2 0.730 60.4 137.8 72.2 22.6 26.7 2.5 -2.7 51 51 A V - 0 0 12 -6,-1.1 2,-0.4 -25,-0.0 -1,-0.2 -0.637 59.0-109.6-102.2 154.7 29.8 4.2 -1.3 52 52 A E - 0 0 107 -2,-0.2 -24,-2.6 -27,-0.2 2,-0.4 -0.682 37.5-170.2 -76.2 134.4 32.7 5.8 -2.9 53 53 A V E -c 28 0A 14 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.984 12.5-177.2-134.0 129.8 35.9 3.8 -2.6 54 54 A F E -c 29 0A 38 -26,-3.1 -24,-2.7 -2,-0.4 2,-0.3 -0.879 10.2-176.1-115.1 141.7 39.4 4.8 -3.4 55 55 A Y E +c 30 0A 66 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.989 6.9 168.8-140.0 154.0 42.3 2.4 -3.1 56 56 A H E -c 31 0A 56 -26,-1.8 -24,-0.8 -2,-0.3 13,-0.0 -0.978 43.1 -87.9-158.9 146.4 46.0 2.6 -3.6 57 57 A H E -c 32 0A 81 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.381 47.8-179.4 -55.5 140.0 49.1 0.6 -2.9 58 58 A L - 0 0 5 -26,-2.0 2,-0.5 10,-0.1 -50,-0.1 -0.945 20.9-179.1-147.4 123.0 50.4 1.3 0.6 59 59 A D > - 0 0 22 -2,-0.3 3,-2.0 3,-0.2 7,-0.4 -0.943 11.1-165.3-117.1 103.0 53.5 -0.2 2.4 60 60 A V T 3 S+ 0 0 9 -2,-0.5 56,-0.2 1,-0.3 57,-0.1 0.615 83.3 70.9 -67.5 -12.2 53.5 1.4 5.8 61 61 A S T 3 S+ 0 0 33 1,-0.1 2,-0.5 55,-0.1 -1,-0.3 0.556 92.4 70.7 -72.9 -8.7 57.1 0.2 6.3 62 62 A K X> - 0 0 93 -3,-2.0 4,-2.0 1,-0.1 3,-0.7 -0.929 69.2-154.6-120.5 115.2 58.2 2.9 3.7 63 63 A A H 3> S+ 0 0 45 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.847 97.3 51.4 -47.5 -46.3 58.0 6.6 4.5 64 64 A E H 3> S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.846 107.3 52.9 -68.8 -34.1 57.6 7.5 0.9 65 65 A S H <> S+ 0 0 18 -3,-0.7 4,-2.7 -6,-0.3 -1,-0.2 0.909 110.3 46.9 -65.9 -44.4 54.7 5.1 0.3 66 66 A V H X S+ 0 0 2 -4,-2.0 4,-2.7 -7,-0.4 5,-0.3 0.926 112.7 50.2 -65.9 -41.6 52.7 6.4 3.2 67 67 A E H X S+ 0 0 92 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.943 113.7 44.4 -63.4 -42.3 53.4 10.0 2.1 68 68 A E H X S+ 0 0 78 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.895 113.2 51.7 -66.1 -42.8 52.3 9.2 -1.5 69 69 A F H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.949 112.0 46.0 -58.3 -50.9 49.2 7.3 -0.3 70 70 A S H X S+ 0 0 8 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.907 110.9 51.9 -64.8 -40.9 48.2 10.1 2.0 71 71 A K H X S+ 0 0 124 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.940 112.3 46.7 -57.7 -44.3 48.7 12.7 -0.8 72 72 A K H X S+ 0 0 48 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.881 112.7 49.2 -68.7 -41.0 46.5 10.7 -3.2 73 73 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.941 112.1 47.9 -58.4 -51.1 43.8 10.1 -0.6 74 74 A L H X S+ 0 0 48 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.878 112.0 50.4 -61.6 -36.4 43.6 13.8 0.3 75 75 A E H < S+ 0 0 149 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.922 112.9 46.8 -65.8 -41.6 43.5 14.7 -3.3 76 76 A R H < S+ 0 0 102 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.909 132.7 11.1 -69.7 -43.6 40.7 12.3 -4.0 77 77 A F H < S- 0 0 36 -4,-2.6 2,-0.2 1,-0.4 -3,-0.2 0.577 88.5-131.4-114.4 -11.3 38.5 13.2 -1.1 78 78 A G S < S+ 0 0 36 -4,-2.4 -1,-0.4 -5,-0.3 -2,-0.1 -0.569 73.8 5.1 70.1-155.3 39.7 16.3 0.6 79 79 A D S S- 0 0 52 -2,-0.2 2,-0.3 1,-0.1 -76,-0.1 -0.132 74.6-131.8 -67.4 151.1 39.9 16.0 4.4 80 80 A V - 0 0 0 41,-0.2 48,-0.3 1,-0.1 50,-0.2 -0.709 12.9-163.8-104.5 158.0 39.3 12.7 6.1 81 81 A D S S+ 0 0 28 -78,-2.6 50,-2.4 1,-0.3 2,-0.4 0.705 77.7 30.2-108.5 -29.7 37.2 12.0 9.2 82 82 A V E -bd 4 131A 5 -79,-1.9 -77,-3.1 48,-0.2 2,-0.4 -1.000 57.2-171.8-137.8 132.6 38.5 8.7 10.3 83 83 A V E -bd 5 132A 0 48,-2.6 50,-3.1 -2,-0.4 2,-0.7 -0.990 7.3-164.1-125.5 122.2 41.9 7.1 9.9 84 84 A V E -bd 6 133A 0 -79,-3.3 -77,-2.8 -2,-0.4 2,-1.2 -0.917 1.2-166.9-108.8 104.0 42.2 3.5 10.9 85 85 A A E + d 0 134A 2 48,-3.4 50,-1.6 -2,-0.7 -77,-0.1 -0.816 36.5 139.3 -93.8 88.3 45.9 2.6 11.3 86 86 A N + 0 0 18 -2,-1.2 -78,-0.2 -79,-0.3 -1,-0.2 0.698 17.2 117.0-113.6 -23.8 45.4 -1.1 11.4 87 87 A A + 0 0 20 -3,-0.2 2,-0.3 -56,-0.1 -79,-0.1 -0.094 41.1 138.4 -49.6 141.0 48.2 -2.8 9.4 88 88 A G - 0 0 35 25,-0.0 2,-0.3 2,-0.0 18,-0.1 -0.974 29.9-162.4-175.1 163.5 50.3 -5.0 11.7 89 89 A L - 0 0 31 -2,-0.3 2,-0.4 17,-0.2 21,-0.1 -0.990 6.0-148.8-158.8 161.1 52.0 -8.3 12.0 90 90 A G - 0 0 6 -2,-0.3 2,-0.4 2,-0.0 96,-0.2 -0.999 7.9-171.8-138.4 137.5 53.5 -10.7 14.5 91 91 A Y - 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