==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-NOV-10 3PII . COMPND 2 MOLECULE: ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR M.DONG,B.J.BAHNSON . 1348 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 978 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 13.9 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 . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 106 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 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 3 3 5 6 2 7 9 2 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 8 12 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 . 11 9 2 10 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 3 0 0 0 4 0 0 0 0 2 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 1 A M 0 0 25 0, 0.0 17,-3.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 158.8 0.9 -36.1 -18.6 2 2 A K E +A 17 0A 60 15,-0.3 120,-0.9 13,-0.0 2,-0.3 -0.846 360.0 170.2-105.4 140.7 0.4 -38.6 -21.5 3 3 A A E -AB 16 121A 0 13,-2.2 13,-1.9 -2,-0.4 2,-0.7 -0.838 40.5-112.7-137.8 171.2 -2.9 -40.2 -22.5 4 4 A A E -A 15 0A 0 116,-1.2 2,-0.3 -2,-0.3 11,-0.2 -0.830 44.5-161.6-110.4 93.7 -4.5 -42.2 -25.2 5 5 A V E -A 14 0A 9 9,-2.4 9,-2.0 -2,-0.7 2,-1.1 -0.544 21.2-145.9 -88.1 131.3 -7.0 -39.8 -26.7 6 6 A V B +C 57 0B 0 51,-2.9 51,-0.9 -2,-0.3 3,-0.1 -0.822 30.4 166.3 -88.8 99.0 -9.9 -40.6 -28.9 7 7 A E + 0 0 71 -2,-1.1 2,-0.3 1,-0.3 -1,-0.2 0.906 66.1 10.2 -81.5 -47.0 -9.9 -37.6 -31.1 8 8 A Q S S- 0 0 126 4,-0.2 3,-0.5 3,-0.2 -1,-0.3 -0.967 93.4 -93.8-130.8 148.8 -12.3 -38.7 -33.9 9 9 A F S S+ 0 0 69 -2,-0.3 2,-0.6 1,-0.2 37,-0.2 -0.284 104.5 3.6 -62.6 145.6 -14.5 -41.9 -33.9 10 10 A K S S+ 0 0 144 35,-1.0 -1,-0.2 1,-0.2 36,-0.2 0.082 102.8 119.6 65.9 -21.6 -13.1 -45.1 -35.5 11 11 A E S S- 0 0 118 -2,-0.6 -3,-0.2 -3,-0.5 -1,-0.2 -0.511 79.5 -90.3 -70.2 133.8 -9.8 -43.3 -36.1 12 12 A P - 0 0 97 0, 0.0 -5,-0.3 0, 0.0 -4,-0.2 -0.084 51.6-102.4 -36.3 138.8 -6.7 -44.7 -34.4 13 13 A L - 0 0 8 -7,-0.1 2,-0.6 -3,-0.1 -7,-0.2 -0.511 27.8-127.5 -78.2 139.6 -6.1 -43.3 -30.9 14 14 A K E -A 5 0A 121 -9,-2.0 -9,-2.4 -2,-0.2 2,-0.9 -0.771 7.3-151.0 -89.8 117.5 -3.4 -40.6 -30.5 15 15 A I E +A 4 0A 79 -2,-0.6 2,-0.3 -11,-0.2 -11,-0.2 -0.839 44.1 154.0 -74.7 107.2 -0.9 -41.3 -27.7 16 16 A K E -A 3 0A 93 -13,-1.9 -13,-2.2 -2,-0.9 2,-0.4 -0.987 52.4-100.6-143.7 154.2 -0.2 -37.6 -26.9 17 17 A E E -A 2 0A 138 -2,-0.3 -15,-0.3 -15,-0.2 2,-0.3 -0.610 51.0-179.6 -75.8 122.6 1.0 -35.4 -24.0 18 18 A V - 0 0 37 -17,-3.9 2,-0.2 -2,-0.4 -1,-0.0 -0.805 34.6 -74.5-127.7 169.7 -2.1 -33.8 -22.4 19 19 A E - 0 0 172 -2,-0.3 -1,-0.0 1,-0.1 -17,-0.0 -0.383 44.7-126.0 -70.0 121.7 -3.0 -31.4 -19.7 20 20 A K - 0 0 95 -2,-0.2 -1,-0.1 1,-0.1 104,-0.0 -0.573 38.4-115.9 -70.8 117.4 -2.7 -33.0 -16.2 21 21 A P - 0 0 28 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.042 19.6-132.6 -67.5 157.5 -6.2 -32.4 -14.6 22 22 A T - 0 0 101 103,-0.0 2,-0.4 7,-0.0 103,-0.1 -0.620 15.4-142.1-104.5 161.1 -7.0 -30.3 -11.6 23 23 A I + 0 0 20 -2,-0.2 3,-0.1 4,-0.1 6,-0.1 -0.989 16.0 179.4-134.0 134.8 -9.2 -31.3 -8.6 24 24 A S > - 0 0 75 -2,-0.4 3,-0.9 1,-0.3 47,-0.1 0.020 52.1 -24.8-103.6-148.0 -11.7 -29.4 -6.4 25 25 A Y T 3 S+ 0 0 84 1,-0.2 -1,-0.3 46,-0.2 48,-0.2 -0.285 124.3 11.3 -64.9 147.5 -13.8 -30.5 -3.5 26 26 A G T 3 S+ 0 0 25 46,-1.8 102,-1.2 1,-0.2 103,-0.5 0.599 106.9 108.5 64.2 15.8 -14.9 -34.1 -3.0 27 27 A E E < -D 127 0C 43 -3,-0.9 44,-2.3 100,-0.3 2,-0.4 -0.772 52.5-151.2-121.7 160.0 -12.5 -35.3 -5.7 28 28 A V E -DE 126 70C 0 98,-2.3 98,-2.3 -2,-0.3 2,-0.5 -0.990 11.5-138.2-132.3 146.2 -9.2 -37.2 -5.8 29 29 A L E -DE 125 69C 2 40,-2.3 39,-1.6 -2,-0.4 40,-1.5 -0.920 25.9-166.4 -98.6 130.7 -6.3 -37.2 -8.2 30 30 A V E -DE 124 67C 0 94,-2.2 94,-1.7 -2,-0.5 2,-0.9 -0.926 19.7-140.0-120.4 130.6 -5.0 -40.7 -8.9 31 31 A R E -DE 123 66C 61 35,-2.6 35,-2.0 -2,-0.4 2,-0.3 -0.850 32.1-129.6 -91.3 109.9 -1.7 -41.7 -10.5 32 32 A I E + E 0 65C 2 90,-1.4 33,-0.3 -2,-0.9 3,-0.1 -0.413 33.7 172.5 -62.7 114.1 -2.7 -44.6 -12.8 33 33 A K E S- 0 0 59 31,-1.5 303,-2.3 -2,-0.3 304,-0.7 0.824 72.0 -4.7 -84.8 -43.0 -0.5 -47.8 -12.3 34 34 A A E -FE 335 64C 7 30,-2.5 30,-2.6 301,-0.2 -1,-0.3 -0.950 56.9-163.0-145.8 166.8 -2.6 -50.0 -14.6 35 35 A C E -FE 334 63C 0 299,-1.9 299,-2.1 -2,-0.3 28,-0.3 -0.799 17.9-133.8-157.2 117.1 -5.9 -50.0 -16.6 36 36 A G E -F 333 0C 0 26,-1.3 2,-0.4 -2,-0.3 25,-0.4 -0.356 15.8-147.9 -68.1 143.8 -7.9 -52.8 -18.0 37 37 A V E +F 332 0C 0 295,-2.2 295,-0.6 23,-0.1 2,-0.3 -0.876 25.7 159.9-107.8 139.9 -9.2 -52.7 -21.5 38 38 A C >> - 0 0 8 -2,-0.4 4,-1.2 293,-0.1 3,-1.0 -0.945 56.1 -81.0-146.4 176.1 -12.4 -54.4 -22.5 39 39 A H H 3> S+ 0 0 107 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.785 121.1 64.3 -42.8 -37.9 -15.1 -54.2 -25.3 40 40 A T H 3> S+ 0 0 24 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.945 99.3 51.6 -58.0 -48.6 -16.7 -51.2 -23.8 41 41 A D H X> S+ 0 0 0 -3,-1.0 3,-1.4 1,-0.2 4,-1.3 0.919 108.0 52.6 -51.2 -50.1 -13.6 -49.1 -24.3 42 42 A L H 3X S+ 0 0 8 -4,-1.2 4,-2.6 1,-0.3 3,-0.3 0.869 104.9 54.6 -57.5 -41.6 -13.6 -50.1 -28.0 43 43 A H H 3X>S+ 0 0 43 -4,-2.1 4,-0.6 1,-0.2 5,-0.6 0.660 104.4 56.3 -68.1 -15.6 -17.2 -49.0 -28.4 44 44 A A H <<5S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.2 0.787 110.5 43.8 -82.2 -30.7 -16.2 -45.7 -27.1 45 45 A A H <5S+ 0 0 6 -4,-1.3 -35,-1.0 -3,-0.3 -34,-0.2 0.986 115.7 46.0 -69.9 -63.6 -13.6 -45.4 -29.9 46 46 A H H <5S- 0 0 49 -4,-2.6 -3,-0.2 -37,-0.2 -2,-0.2 0.636 96.9-145.1 -52.5 -22.5 -15.9 -46.6 -32.6 47 47 A G T <5 + 0 0 12 -4,-0.6 2,-0.3 -5,-0.2 -3,-0.1 0.693 52.4 134.9 64.1 27.1 -18.7 -44.3 -31.3 48 48 A D < + 0 0 75 -5,-0.6 -1,-0.1 3,-0.0 -4,-0.1 -0.300 30.5 99.0-112.2 46.6 -21.5 -46.7 -32.2 49 49 A W S S- 0 0 31 -2,-0.3 0, 0.0 -6,-0.2 0, 0.0 -0.980 84.3-102.1-128.4 145.3 -23.8 -46.9 -29.2 50 50 A P S S+ 0 0 100 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.792 117.9 37.7 -24.6 -73.9 -27.1 -45.0 -28.7 51 51 A V S S- 0 0 116 -3,-0.1 -4,-0.1 0, 0.0 -3,-0.0 -0.789 87.1-162.2 -85.5 111.8 -25.6 -42.4 -26.4 52 52 A K - 0 0 120 -2,-0.7 -8,-0.1 1,-0.1 62,-0.0 -0.679 19.3-103.8 -93.4 153.6 -22.1 -41.6 -27.8 53 53 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 62,-0.2 -0.147 31.6-100.1 -67.5 163.3 -19.3 -39.9 -25.8 54 54 A K - 0 0 170 60,-0.5 0, 0.0 2,-0.1 0, 0.0 -0.769 55.2 -99.9 -80.7 132.4 -18.0 -36.3 -26.0 55 55 A L S S+ 0 0 58 -2,-0.4 2,-0.1 2,-0.1 -48,-0.1 -0.805 99.6 48.2-101.2 142.2 -14.8 -36.0 -28.0 56 56 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -49,-0.2 0.564 81.6 170.4 -66.1 159.8 -11.8 -35.9 -27.2 57 57 A L B -C 6 0B 3 -51,-0.9 -51,-2.9 -2,-0.1 -2,-0.1 -0.999 34.3-150.1-146.1 140.1 -12.0 -38.8 -24.6 58 58 A I - 0 0 9 -2,-0.3 60,-3.0 -53,-0.2 55,-0.2 -0.923 30.7-148.7-107.6 107.2 -9.6 -40.8 -22.6 59 59 A P + 0 0 0 0, 0.0 61,-2.8 0, 0.0 59,-0.3 0.115 43.4 107.7 -65.8-178.3 -11.1 -44.3 -22.1 60 60 A G + 0 0 0 53,-0.6 59,-1.6 59,-0.3 3,-0.1 0.579 20.7 174.0 112.0 108.7 -10.7 -46.6 -19.2 61 61 A H S S+ 0 0 2 -25,-0.4 26,-0.5 57,-0.2 27,-0.1 -0.125 84.5 62.4-125.0 26.6 -13.2 -47.6 -16.5 62 62 A E S S+ 0 0 0 -26,-0.3 -26,-1.3 24,-0.2 2,-0.3 -0.015 71.2 141.5-135.7 22.6 -10.8 -50.2 -15.0 63 63 A G E +EG 35 85C 0 22,-0.8 22,-3.0 -28,-0.3 2,-0.3 -0.583 24.8 180.0 -74.9 130.4 -8.0 -47.8 -14.1 64 64 A V E +EG 34 84C 0 -30,-2.6 -30,-2.5 -2,-0.3 -31,-1.5 -0.957 21.5 107.8-128.3 149.3 -6.3 -48.5 -10.7 65 65 A G E -EG 32 83C 0 18,-2.5 18,-2.2 -2,-0.3 2,-0.4 -0.827 58.1 -37.9 178.4-146.2 -3.4 -46.6 -9.1 66 66 A I E -EG 31 82C 26 -35,-2.0 -35,-2.6 -2,-0.2 2,-1.4 -0.915 41.8-118.6-121.7 137.5 -2.5 -44.3 -6.2 67 67 A V E +E 30 0C 1 14,-2.3 13,-3.5 -2,-0.4 -37,-0.2 -0.558 36.4 172.5 -73.9 98.9 -4.2 -41.4 -4.4 68 68 A E E + 0 0 61 -39,-1.6 2,-0.3 -2,-1.4 -1,-0.2 0.883 65.2 10.1 -75.0 -45.4 -1.6 -38.6 -5.2 69 69 A E E -E 29 0C 91 -40,-1.5 -40,-2.3 -3,-0.2 2,-0.6 -0.998 62.6-144.8-139.6 144.7 -3.8 -35.7 -3.8 70 70 A V E -E 28 0C 53 -2,-0.3 -42,-0.2 -42,-0.2 3,-0.1 -0.902 24.3-132.7-102.6 119.0 -7.0 -35.4 -1.8 71 71 A G > - 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