==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JUN-96 1AGN . COMPND 2 MOLECULE: HUMAN SIGMA ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.D.HURLEY,P.XIE . 1492 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1072 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 13.8 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 121 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 2.5 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 12 0 0 2 4 11 7 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 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 . 6 10 16 0 4 0 4 4 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 . 3 1 0 2 0 6 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 G 0 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.7 20.0 1.5 -10.0 2 2 A T > + 0 0 63 72,-0.1 3,-3.2 2,-0.1 2,-0.8 0.660 360.0 117.1 -97.8 -24.2 19.0 3.8 -7.1 3 3 A A T 3 S+ 0 0 67 1,-0.3 3,-0.1 71,-0.1 73,-0.0 -0.227 85.8 16.1 -50.8 91.7 22.2 3.1 -5.2 4 4 A G T 3 S+ 0 0 56 -2,-0.8 2,-0.3 1,-0.4 -1,-0.3 0.142 110.6 88.0 128.5 -16.2 23.8 6.6 -5.1 5 5 A K S < S- 0 0 112 -3,-3.2 -1,-0.4 24,-0.1 23,-0.1 -0.842 84.4 -89.8-120.9 153.0 20.9 8.8 -6.0 6 6 A V - 0 0 81 -2,-0.3 2,-0.4 24,-0.1 23,-0.2 -0.239 42.8-143.9 -53.1 131.3 18.0 10.6 -4.2 7 7 A I E -A 28 0A 10 21,-2.6 21,-2.5 141,-0.0 2,-0.4 -0.826 5.5-151.8-103.3 143.6 15.0 8.3 -3.9 8 8 A K E +A 27 0A 114 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.942 34.7 134.6-112.8 136.1 11.5 9.7 -4.2 9 9 A C E -A 26 0A 8 17,-1.5 17,-2.5 -2,-0.4 2,-0.3 -0.936 50.8 -69.7-161.8-173.7 8.7 7.8 -2.4 10 10 A K E +A 25 0A 98 -2,-0.3 137,-2.3 15,-0.2 2,-0.3 -0.697 43.0 172.7 -93.9 146.8 5.6 7.9 -0.1 11 11 A A E -AB 24 146A 0 13,-1.4 13,-2.9 -2,-0.3 2,-2.1 -0.974 39.3-124.6-156.1 138.4 5.7 8.7 3.6 12 12 A A E -A 23 0A 1 133,-2.5 53,-0.3 -2,-0.3 11,-0.2 -0.544 45.1-171.7 -81.4 76.4 3.2 9.3 6.3 13 13 A V E -A 22 0A 0 -2,-2.1 9,-1.7 9,-1.4 2,-0.4 -0.301 16.7-150.4 -71.4 156.4 4.5 12.7 7.2 14 14 A L B -E 63 0B 0 49,-1.3 49,-2.0 7,-0.2 7,-0.1 -0.960 11.9-176.6-130.2 107.5 3.2 14.5 10.3 15 15 A W + 0 0 52 -2,-0.4 2,-0.2 5,-0.4 -1,-0.1 0.917 66.7 6.1 -73.9 -44.6 3.3 18.3 9.9 16 16 A E S > S- 0 0 135 4,-0.2 3,-0.6 45,-0.1 2,-0.2 -0.732 85.6 -85.4-130.7 179.7 2.1 19.3 13.4 17 17 A Q T 3 S+ 0 0 75 -2,-0.2 36,-0.2 1,-0.2 37,-0.1 -0.568 112.9 14.4 -84.6 151.2 1.3 17.8 16.8 18 18 A K T 3 S+ 0 0 176 35,-2.7 -1,-0.2 34,-0.2 36,-0.1 0.467 103.3 122.2 62.1 4.0 -2.3 16.5 17.2 19 19 A Q < - 0 0 65 -3,-0.6 -1,-0.2 34,-0.1 2,-0.1 -0.623 66.7-110.1 -94.8 149.9 -2.5 16.8 13.4 20 20 A P - 0 0 91 0, 0.0 -5,-0.4 0, 0.0 -4,-0.2 -0.392 36.1 -95.6 -78.1 158.4 -3.4 13.7 11.2 21 21 A F - 0 0 21 -7,-0.1 2,-0.4 -2,-0.1 -7,-0.2 -0.319 31.8-163.4 -68.8 158.7 -0.9 12.0 8.9 22 22 A S E -A 13 0A 56 -9,-1.7 -9,-1.4 -11,-0.1 2,-0.4 -0.961 21.4-127.6-147.0 115.0 -0.8 12.8 5.2 23 23 A I E +A 12 0A 53 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.572 42.5 173.7 -66.3 122.8 0.9 10.4 2.8 24 24 A E E -A 11 0A 42 -13,-2.9 -13,-1.4 -2,-0.4 2,-0.4 -0.932 38.1-104.3-136.2 159.2 3.4 12.5 0.9 25 25 A E E -A 10 0A 94 -2,-0.3 107,-0.3 -15,-0.2 2,-0.3 -0.667 46.6-177.3 -80.7 128.1 6.2 12.2 -1.7 26 26 A I E -A 9 0A 0 -17,-2.5 -17,-1.5 -2,-0.4 2,-0.6 -0.786 30.1-119.6-123.8 170.8 9.6 12.7 -0.0 27 27 A E E -AC 8 130A 77 103,-1.8 2,-1.0 -2,-0.3 103,-1.0 -0.892 20.7-163.0-114.6 98.6 13.3 12.8 -0.9 28 28 A V E -AC 7 129A 0 -21,-2.5 -21,-2.6 -2,-0.6 101,-0.2 -0.723 18.5-142.8 -80.7 102.3 15.2 10.1 0.8 29 29 A A - 0 0 29 99,-2.3 3,-0.1 -2,-1.0 -24,-0.1 -0.431 29.4-101.1 -63.3 142.7 18.8 11.3 0.4 30 30 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 -0.311 50.9 -79.4 -65.2 156.9 21.1 8.3 -0.2 31 31 A P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.136 43.2-154.9 -55.2 150.0 23.1 7.0 2.7 32 32 A K > - 0 0 73 1,-0.3 3,-1.7 45,-0.1 46,-0.7 -0.026 53.0 -24.5-102.9-152.1 26.3 8.7 3.8 33 33 A T B 3 S-g 78 0C 83 1,-0.3 -1,-0.3 44,-0.2 46,-0.2 -0.388 133.3 -5.6 -64.9 131.0 29.3 7.3 5.7 34 34 A K T 3 S+ 0 0 95 44,-3.0 119,-2.6 1,-0.2 -1,-0.3 0.691 109.3 126.9 57.6 21.4 28.5 4.2 7.8 35 35 A E E < -H 152 0D 2 -3,-1.7 42,-3.2 117,-0.2 2,-0.4 -0.668 45.9-154.2-106.7 161.8 24.9 4.7 6.9 36 36 A V E -HI 151 76D 0 115,-1.4 115,-2.2 -2,-0.2 2,-0.5 -0.987 7.6-147.5-138.1 139.7 22.4 2.4 5.3 37 37 A R E -HI 150 75D 0 38,-2.3 37,-1.7 -2,-0.4 38,-1.1 -0.969 23.9-166.1-108.0 123.9 19.3 3.0 3.3 38 38 A I E -HI 149 73D 0 111,-3.1 111,-2.3 -2,-0.5 2,-0.7 -0.886 19.5-138.8-114.8 146.9 16.6 0.4 3.9 39 39 A K E -HI 148 72D 75 33,-3.0 33,-2.2 -2,-0.3 2,-0.4 -0.924 29.0-132.6-104.2 113.6 13.4 -0.4 2.0 40 40 A I E + I 0 71D 1 107,-1.9 31,-0.3 -2,-0.7 3,-0.1 -0.532 29.3 174.3 -74.1 121.8 10.6 -1.0 4.5 41 41 A L E S+ 0 0 37 29,-1.9 332,-2.6 -2,-0.4 2,-0.3 0.867 71.0 4.7 -90.3 -43.3 8.5 -4.2 3.8 42 42 A A E -JI 372 70D 0 28,-2.1 28,-1.9 330,-0.2 -1,-0.3 -0.993 59.8-177.0-143.9 146.8 6.4 -4.1 7.0 43 43 A T E -JI 371 69D 0 328,-1.8 328,-3.0 -2,-0.3 26,-0.3 -0.972 16.4-142.8-148.8 126.4 6.0 -1.7 9.9 44 44 A G E -JI 370 68D 0 24,-3.1 2,-0.7 -2,-0.3 24,-0.5 -0.486 19.9-116.3 -87.2 162.2 3.8 -2.2 13.0 45 45 A I - 0 0 2 324,-1.8 324,-0.5 -2,-0.2 2,-0.3 -0.880 36.3-175.0-104.2 105.6 1.8 0.5 14.8 46 46 A C >> - 0 0 4 -2,-0.7 3,-1.2 322,-0.1 4,-1.1 -0.754 36.6-115.4-102.9 148.7 3.1 0.9 18.4 47 47 A R H 3> S+ 0 0 89 -2,-0.3 4,-1.4 1,-0.3 -1,-0.1 0.717 111.5 65.4 -52.8 -27.0 1.6 3.1 21.1 48 48 A T H 3> S+ 0 0 24 2,-0.2 4,-1.3 1,-0.2 3,-0.4 0.932 98.1 52.7 -63.2 -44.3 4.7 5.3 21.2 49 49 A D H <> S+ 0 0 0 -3,-1.2 4,-1.0 1,-0.3 3,-0.4 0.916 108.6 50.9 -58.9 -41.0 4.1 6.5 17.6 50 50 A D H X S+ 0 0 5 -4,-1.1 4,-1.8 1,-0.2 -1,-0.3 0.810 101.2 64.3 -66.6 -29.5 0.6 7.5 18.7 51 51 A H H X>S+ 0 0 25 -4,-1.4 4,-1.3 -3,-0.4 6,-1.1 0.901 95.3 57.9 -60.4 -43.4 2.1 9.4 21.7 52 52 A V H ><5S+ 0 0 0 -4,-1.3 3,-0.6 -3,-0.4 -34,-0.2 0.917 106.8 47.2 -52.7 -49.9 3.9 11.8 19.3 53 53 A I H 3<5S+ 0 0 20 -4,-1.0 -35,-2.7 1,-0.2 -1,-0.2 0.903 112.3 49.5 -60.2 -45.9 0.6 12.9 17.7 54 54 A K H 3<5S- 0 0 112 -4,-1.8 -1,-0.2 -37,-0.1 -2,-0.2 0.677 111.7-119.2 -70.3 -18.7 -1.2 13.4 21.1 55 55 A G T <<5S+ 0 0 24 -4,-1.3 -3,-0.2 -3,-0.6 -2,-0.1 0.247 83.5 118.4 97.7 -12.2 1.7 15.5 22.4 56 56 A T S - 0 0 12 -42,-3.2 3,-0.7 -2,-0.3 2,-0.4 0.106 47.4 -45.6 -80.3-159.0 27.2 3.7 2.7 78 78 A E B 3 S+g 33 0C 99 -46,-0.7 -44,-3.0 1,-0.2 -1,-0.2 -0.527 124.8 2.4 -77.0 120.5 30.9 4.2 3.2 79 79 A G T 3 S+ 0 0 38 -2,-0.4 -1,-0.2 1,-0.3 2,-0.1 0.202 80.9 153.9 92.5 -18.3 32.5 1.7 5.5 80 80 A V < + 0 0 13 -3,-0.7 -1,-0.3 -45,-0.2 -4,-0.1 -0.272 5.5 158.7 -51.3 112.1 29.3 -0.4 6.1 81 81 A T + 0 0 121 -3,-0.1 -1,-0.2 -2,-0.1 3,-0.1 0.571 59.7 61.9-111.1 -23.8 30.8 -3.8 6.9 82 82 A T S S+ 0 0 61 1,-0.2 2,-0.3 74,-0.0 -2,-0.1 0.849 109.2 28.3 -77.3 -33.4 28.0 -5.5 8.8 83 83 A V - 0 0 5 4,-0.0 -1,-0.2 74,-0.0 6,-0.0 -0.980 59.0-162.6-136.0 147.5 25.3 -5.5 6.0 84 84 A K > - 0 0 116 -2,-0.3 3,-1.7 -3,-0.1 -11,-0.3 -0.738 44.8 -75.8-118.4 163.0 25.2 -5.5 2.2 85 85 A P T 3 S+ 0 0 58 0, 0.0 -11,-0.2 0, 0.0 3,-0.1 -0.371 117.9 32.6 -62.7 133.1 22.3 -4.6 -0.2 86 86 A G T 3 S+ 0 0 42 -13,-2.5 -12,-0.1 1,-0.4 -11,-0.0 0.020 87.0 130.5 108.6 -26.1 19.7 -7.3 -0.4 87 87 A D < - 0 0 17 -3,-1.7 -14,-2.3 -14,-0.1 2,-0.5 -0.289 61.6-121.6 -61.2 143.4 20.1 -8.4 3.3 88 88 A K E +K 72 0D 28 71,-0.4 71,-2.0 -16,-0.2 2,-0.3 -0.787 46.0 165.3 -88.6 122.2 17.0 -8.6 5.4 89 89 A V E -KL 71 158D 0 -18,-2.3 -18,-2.5 -2,-0.5 69,-0.2 -0.878 35.2-138.8-135.7 169.7 17.3 -6.3 8.4 90 90 A I E - L 0 157D 0 67,-2.2 67,-1.8 -2,-0.3 -20,-0.2 -0.999 28.0-126.6-128.9 121.5 15.4 -4.6 11.2 91 91 A P E - L 0 156D 0 0, 0.0 2,-0.5 0, 0.0 -22,-0.3 -0.464 23.5-141.5 -66.3 151.5 16.1 -1.0 12.1 92 92 A L - 0 0 3 63,-2.7 81,-0.1 49,-0.2 4,-0.1 -0.958 17.3-166.1-122.2 117.3 16.9 -0.5 15.8 93 93 A F S S+ 0 0 30 -2,-0.5 22,-0.7 79,-0.4 -1,-0.1 0.717 89.2 59.2 -69.7 -22.4 15.6 2.6 17.7 94 94 A L S S- 0 0 4 20,-0.1 -1,-0.2 -3,-0.1 230,-0.2 -0.949 88.9-148.0-110.5 105.2 18.1 1.7 20.4 95 95 A P - 0 0 0 0, 0.0 16,-0.7 0, 0.0 228,-0.3 0.049 10.6-153.5 -62.4 174.1 21.6 1.6 18.9 96 96 A Q + 0 0 0 58,-1.3 60,-0.1 226,-0.1 14,-0.1 -0.408 17.5 171.8-156.2 69.9 24.5 -0.6 19.9 97 97 A C - 0 0 21 1,-0.1 58,-0.1 58,-0.0 57,-0.0 0.601 37.6-138.9 -53.9 -20.0 27.8 1.1 19.1 98 98 A R S S+ 0 0 128 1,-0.1 -1,-0.1 56,-0.1 3,-0.0 0.656 89.4 65.0 65.5 15.6 29.6 -1.6 20.9 99 99 A E S S+ 0 0 146 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.541 72.0 99.2-136.8 -26.6 31.9 1.0 22.5 100 100 A C S > S- 0 0 13 1,-0.1 4,-2.4 4,-0.0 3,-0.3 -0.296 87.0 -96.2 -69.1 157.6 29.9 3.3 24.7 101 101 A N H >> S+ 0 0 50 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.855 122.9 36.7 -34.4 -69.1 29.7 2.8 28.5 102 102 A A H 34 S+ 0 0 2 8,-0.3 6,-0.5 1,-0.3 -1,-0.3 0.846 112.2 58.6 -60.4 -36.9 26.5 0.8 28.6 103 103 A C H 34 S+ 0 0 0 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.896 111.1 44.1 -61.4 -35.0 27.3 -1.1 25.5 104 104 A R H << S+ 0 0 181 -4,-2.4 -2,-0.2 -3,-0.7 -1,-0.2 0.880 98.4 85.0 -73.3 -41.7 30.4 -2.3 27.3 105 105 A N S >< S- 0 0 32 -4,-2.2 3,-2.3 -5,-0.3 -5,-0.0 -0.500 75.1-144.2 -66.9 121.0 28.6 -3.0 30.5 106 106 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.758 100.5 46.4 -58.7 -27.5 27.0 -6.5 30.4 107 107 A D T 3 S+ 0 0 112 552,-0.0 2,-0.2 2,-0.0 -4,-0.1 0.209 105.6 76.9-101.8 19.7 24.0 -5.3 32.4 108 108 A G < + 0 0 5 -3,-2.3 3,-0.1 -6,-0.5 551,-0.1 -0.642 37.0 159.5-119.3 174.5 23.5 -2.2 30.3 109 109 A N + 0 0 4 -2,-0.2 2,-2.2 213,-0.1 214,-0.1 0.326 41.6 109.5-164.8 -29.9 22.0 -1.5 26.8 110 110 A L - 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