==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-AUG-01 1JQB . COMPND 2 MOLECULE: NADP-DEPENDENT ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BEIJERINCKII; . AUTHOR I.LEVIN,F.FROLOW,O.BOGIN,M.PERETZ,Y.HACHAM,Y.BURSTEIN . 1404 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1029 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 11.9 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 118 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 3.1 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 8 3 0 2 10 3 6 8 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 13 7 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 . 10 11 5 4 3 2 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 . 2 1 3 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 1001 A M 0 0 38 0, 0.0 16,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 164.1 10.1 30.9 67.9 2 1002 A K E +A 16 0A 83 14,-0.2 120,-1.7 12,-0.0 2,-0.3 -0.771 360.0 172.5-106.3 153.0 13.2 29.2 69.2 3 1003 A G E -AB 15 121A 0 12,-2.0 12,-2.5 -2,-0.3 2,-0.9 -0.988 38.8-110.2-155.0 153.2 16.5 28.7 67.4 4 1004 A F E +A 14 0A 1 116,-2.6 53,-2.9 -2,-0.3 10,-0.2 -0.799 55.4 170.4 -88.4 110.6 20.0 27.5 68.1 5 1005 A A E -AC 13 56A 0 8,-2.8 8,-1.8 -2,-0.9 2,-0.9 -0.709 44.2-102.2-123.0 171.9 22.1 30.7 68.0 6 1006 A M E -AC 12 55A 0 49,-2.2 48,-1.6 -2,-0.2 49,-1.0 -0.828 23.8-164.0 -92.1 104.7 25.5 32.1 68.7 7 1007 A L E - 0 0 65 -2,-0.9 2,-0.2 4,-0.9 5,-0.2 0.465 67.2 -68.6 -67.6 1.0 25.1 34.0 71.9 8 1008 A G E > S-A 11 0A 7 3,-0.9 3,-2.9 47,-0.1 -1,-0.3 -0.723 92.8 -9.7 133.6 177.1 28.4 35.6 70.9 9 1009 A I T 3 S- 0 0 68 43,-0.3 36,-0.2 1,-0.3 35,-0.1 -0.157 135.0 -2.1 -46.6 124.5 32.0 34.6 70.4 10 1010 A N T 3 S+ 0 0 93 34,-2.2 2,-0.5 1,-0.2 -1,-0.3 0.460 111.8 111.0 70.4 4.4 32.5 31.1 71.9 11 1011 A K E < +A 8 0A 127 -3,-2.9 -4,-0.9 33,-0.2 -3,-0.9 -0.937 39.0 173.9-118.6 131.2 28.9 30.9 73.1 12 1012 A L E +A 6 0A 33 -2,-0.5 2,-0.3 -6,-0.3 -6,-0.2 -0.930 17.5 120.3-128.7 152.3 26.1 28.7 71.8 13 1013 A G E -A 5 0A 11 -8,-1.8 -8,-2.8 -2,-0.3 2,-0.3 -0.896 56.6 -74.5 166.2 164.8 22.6 28.1 72.9 14 1014 A W E +A 4 0A 74 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.649 50.1 168.2 -83.4 134.4 18.8 28.2 72.2 15 1015 A I E -A 3 0A 34 -12,-2.5 -12,-2.0 -2,-0.3 2,-0.4 -0.854 34.7-104.9-137.3 172.2 17.1 31.6 72.2 16 1016 A E E +A 2 0A 170 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.823 36.2 172.9-101.4 141.5 13.8 33.1 71.2 17 1017 A K - 0 0 58 -16,-2.6 37,-0.0 -2,-0.4 -2,-0.0 -0.981 40.3 -94.5-143.7 148.0 13.5 35.2 68.1 18 1018 A E - 0 0 189 -2,-0.3 3,-0.0 1,-0.1 0, 0.0 -0.334 50.8 -98.0 -63.2 146.5 10.5 36.7 66.4 19 1019 A R - 0 0 107 1,-0.1 -1,-0.1 103,-0.0 105,-0.1 -0.505 45.6-114.7 -66.6 127.9 9.0 34.6 63.7 20 1020 A P - 0 0 30 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.338 25.8-146.6 -66.0 145.0 10.3 35.9 60.3 21 1021 A V - 0 0 116 -3,-0.0 2,-0.3 104,-0.0 6,-0.1 -0.891 14.6-121.6-113.3 143.8 7.8 37.3 57.9 22 1022 A A - 0 0 30 -2,-0.4 2,-0.1 4,-0.1 46,-0.1 -0.619 16.2-141.6 -88.1 141.5 8.1 37.1 54.1 23 1023 A G > - 0 0 33 -2,-0.3 3,-1.5 46,-0.1 46,-0.2 -0.325 50.3 -73.6 -84.7 178.9 8.2 40.1 51.8 24 1024 A S T 3 S+ 0 0 62 1,-0.3 47,-2.6 45,-0.2 48,-0.6 0.752 134.5 30.0 -45.3 -36.1 6.4 40.0 48.4 25 1025 A Y T 3 S+ 0 0 52 46,-0.2 104,-2.6 45,-0.1 105,-0.4 0.428 105.3 95.2-108.2 2.5 9.0 37.6 46.9 26 1026 A D < - 0 0 30 -3,-1.5 43,-3.0 102,-0.3 2,-0.3 -0.307 55.5-147.7 -92.0 173.1 10.1 35.7 49.9 27 1027 A A E -DE 68 126B 0 99,-1.8 99,-2.5 41,-0.2 2,-0.5 -0.994 9.5-140.6-139.4 143.1 9.1 32.4 51.5 28 1028 A I E -DE 67 125B 0 39,-2.6 38,-2.8 -2,-0.3 39,-1.6 -0.917 30.1-171.4-103.3 128.2 9.0 31.3 55.1 29 1029 A V E -DE 65 124B 0 95,-2.8 95,-2.7 -2,-0.5 36,-0.2 -0.941 20.4-146.9-126.9 145.9 10.2 27.7 55.5 30 1030 A R E -D 64 0B 86 34,-2.4 34,-2.6 -2,-0.4 93,-0.2 -0.923 32.1-115.3-108.9 131.5 10.3 25.1 58.2 31 1031 A P E +D 63 0B 1 0, 0.0 32,-0.3 0, 0.0 3,-0.1 -0.423 28.2 180.0 -69.5 136.5 13.3 22.7 58.2 32 1032 A L E S+ 0 0 15 30,-3.0 319,-1.8 1,-0.5 2,-0.3 0.704 79.6 3.6-100.8 -33.0 12.6 19.0 57.7 33 1033 A A E S+DF 62 350B 0 29,-1.7 29,-2.0 317,-0.2 -1,-0.5 -0.978 70.3 179.3-154.0 141.5 16.3 18.0 57.9 34 1034 A V E -DF 61 349B 0 315,-2.1 315,-2.7 -2,-0.3 27,-0.2 -0.886 11.8-151.9-139.3 169.4 19.4 20.1 58.7 35 1035 A S - 0 0 0 25,-1.6 24,-0.5 -2,-0.3 25,-0.4 -0.994 17.8-125.4-147.5 137.7 23.2 19.6 59.1 36 1036 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 311,-0.3 -0.551 26.7-148.3 -81.4 150.0 25.9 21.4 61.0 37 1037 A C >> - 0 0 5 -2,-0.2 3,-1.1 1,-0.1 4,-0.9 -0.901 24.4-126.1-121.6 148.7 28.9 22.8 59.2 38 1038 A T H 3> S+ 0 0 47 -2,-0.3 4,-1.8 1,-0.3 3,-0.3 0.794 111.8 66.5 -58.5 -25.1 32.6 23.2 60.2 39 1039 A S H 3> S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.886 91.0 59.2 -62.7 -40.6 32.0 26.8 59.1 40 1040 A D H <> S+ 0 0 0 -3,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.865 106.7 51.1 -55.4 -34.6 29.5 27.4 61.9 41 1041 A I H X S+ 0 0 17 -4,-0.9 4,-2.0 -3,-0.3 5,-0.3 0.925 106.8 49.9 -69.8 -46.6 32.5 26.5 64.1 42 1042 A H H X S+ 0 0 45 -4,-1.8 6,-1.5 1,-0.2 4,-0.6 0.923 114.1 47.5 -57.8 -44.2 35.0 28.9 62.5 43 1043 A T H X S+ 0 0 0 -4,-2.6 4,-0.5 4,-0.2 6,-0.2 0.883 121.7 33.3 -65.2 -41.9 32.4 31.7 62.9 44 1044 A V H < S+ 0 0 1 -4,-2.0 -34,-2.2 -5,-0.2 -33,-0.2 0.969 125.9 33.8 -80.6 -60.7 31.5 30.9 66.6 45 1045 A F H < S+ 0 0 39 -4,-2.0 -3,-0.2 -5,-0.2 -1,-0.1 0.272 135.9 24.2 -83.8 11.7 34.7 29.7 68.2 46 1046 A E H < S- 0 0 104 -4,-0.6 -1,-0.2 -5,-0.3 -3,-0.2 0.354 90.3-131.1-151.4 -2.1 37.0 31.9 66.2 47 1047 A G >< + 0 0 23 -4,-0.5 3,-1.4 -6,-0.2 -4,-0.2 0.864 41.9 165.2 45.7 44.5 35.0 34.9 65.0 48 1048 A A T 3 S+ 0 0 8 -6,-1.5 -5,-0.2 1,-0.3 -1,-0.1 0.711 75.6 40.0 -62.7 -21.7 36.2 34.4 61.4 49 1049 A L T 3 S- 0 0 30 1,-0.4 -1,-0.3 -6,-0.2 2,-0.1 0.278 122.8 -96.2-111.0 9.2 33.5 36.7 60.1 50 1050 A G < - 0 0 36 -3,-1.4 -1,-0.4 -7,-0.1 -4,-0.1 -0.274 65.3 -31.0 98.7 170.4 33.6 39.3 62.9 51 1051 A D + 0 0 115 -2,-0.1 2,-0.3 -3,-0.1 -7,-0.1 -0.283 59.1 179.8 -64.5 144.4 31.5 39.7 66.0 52 1052 A R - 0 0 50 -9,-0.1 2,-0.4 -8,-0.1 -43,-0.3 -0.946 14.1-152.8-140.1 157.6 27.8 38.5 66.0 53 1053 A K S S- 0 0 137 -2,-0.3 -46,-0.2 -45,-0.1 -45,-0.1 -0.943 71.6 -20.2-142.4 117.8 25.1 38.5 68.6 54 1054 A N S S+ 0 0 61 -48,-1.6 2,-0.6 -2,-0.4 -47,-0.2 0.876 80.7 160.8 55.2 44.3 22.2 36.1 68.9 55 1055 A M E -C 6 0A 10 -49,-1.0 -49,-2.2 62,-0.1 -1,-0.2 -0.859 42.1-123.2 -97.1 122.0 22.4 35.0 65.3 56 1056 A I E -C 5 0A 1 -2,-0.6 62,-2.0 -51,-0.3 57,-0.4 -0.384 34.0-135.0 -62.4 140.1 20.6 31.7 64.6 57 1057 A L + 0 0 0 -53,-2.9 63,-2.5 63,-0.2 -53,-0.2 -0.299 51.9 64.5 -93.9 177.7 23.1 29.2 63.1 58 1058 A G - 0 0 0 60,-0.2 61,-1.6 61,-0.2 62,-0.3 0.396 31.2-169.9 86.6 141.6 23.1 26.7 60.2 59 1059 A H + 0 0 4 -24,-0.5 2,-0.5 59,-0.2 53,-0.1 0.133 61.9 90.4-149.5 19.0 22.7 27.0 56.4 60 1060 A E + 0 0 0 -25,-0.4 -25,-1.6 25,-0.1 2,-0.3 -0.935 56.3 122.2-123.6 107.6 22.2 23.4 55.3 61 1061 A A E -DG 34 83B 0 22,-0.7 22,-1.6 -2,-0.5 2,-0.4 -0.994 46.5-148.3-165.1 156.8 18.6 22.2 55.1 62 1062 A V E +DG 33 82B 0 -29,-2.0 -30,-3.0 -2,-0.3 -29,-1.7 -0.935 41.6 154.8-118.8 143.4 15.7 20.8 53.2 63 1063 A G E -DG 31 81B 0 18,-2.4 18,-3.5 -2,-0.4 2,-0.5 -0.885 41.5 -88.5-156.6-171.6 12.3 22.0 54.3 64 1064 A E E -DG 30 80B 47 -34,-2.6 -34,-2.4 -2,-0.3 2,-0.3 -0.942 36.6-123.8-114.4 131.2 8.6 22.7 53.7 65 1065 A V E +D 29 0B 0 14,-2.6 13,-3.5 -2,-0.5 -36,-0.2 -0.559 32.5 171.3 -72.0 128.9 7.3 26.0 52.5 66 1066 A V E + 0 0 35 -38,-2.8 2,-0.3 1,-0.4 -37,-0.2 0.759 64.4 13.3-106.4 -40.1 4.8 27.4 55.0 67 1067 A E E -D 28 0B 67 -39,-1.6 -39,-2.6 9,-0.1 -1,-0.4 -0.985 60.5-168.1-140.0 148.9 4.2 30.9 53.6 68 1068 A V E -D 27 0B 42 -2,-0.3 -41,-0.2 -41,-0.2 -44,-0.1 -0.992 28.3-108.0-137.7 145.2 5.0 32.8 50.4 69 1069 A G > - 0 0 11 -43,-3.0 3,-1.2 -2,-0.3 -45,-0.2 -0.127 39.4-101.6 -63.5 167.9 4.9 36.5 49.5 70 1070 A S T 3 S+ 0 0 99 1,-0.2 -45,-0.1 3,-0.0 -46,-0.1 0.640 120.1 51.5 -68.4 -17.0 2.2 37.7 47.1 71 1071 A E T 3 S+ 0 0 74 -47,-2.6 2,-0.5 -48,-0.1 -1,-0.2 0.440 79.7 112.7-100.2 0.4 4.5 37.9 44.1 72 1072 A V < + 0 0 16 -3,-1.2 -4,-0.1 -48,-0.6 -47,-0.1 -0.619 34.3 167.8 -75.9 121.6 5.8 34.3 44.5 73 1073 A K + 0 0 132 -2,-0.5 -1,-0.2 -48,-0.1 -48,-0.0 0.758 65.6 45.9-106.3 -31.4 4.6 32.2 41.5 74 1074 A D S S+ 0 0 88 2,-0.0 2,-0.3 1,-0.0 -2,-0.1 0.514 107.6 50.7 -95.4 -5.6 6.5 28.9 41.4 75 1075 A F + 0 0 6 4,-0.0 55,-0.1 60,-0.0 54,-0.0 -0.959 58.1 173.8-132.8 152.6 6.3 27.9 45.1 76 1076 A K > - 0 0 125 -2,-0.3 3,-2.1 -9,-0.0 -11,-0.3 -0.960 44.9 -65.5-150.1 165.4 3.5 27.5 47.6 77 1077 A P T 3 S+ 0 0 74 0, 0.0 -11,-0.3 0, 0.0 3,-0.1 -0.249 118.7 32.9 -54.7 137.9 2.8 26.3 51.1 78 1078 A G T 3 S+ 0 0 37 -13,-3.5 -12,-0.1 1,-0.3 2,-0.1 0.047 83.5 134.2 103.4 -26.0 3.3 22.5 51.4 79 1079 A D < - 0 0 22 -3,-2.1 -14,-2.6 -14,-0.1 2,-0.5 -0.336 52.8-136.5 -63.0 135.4 6.1 22.4 48.8 80 1080 A R E -G 64 0B 110 -16,-0.2 56,-2.5 56,-0.2 2,-0.3 -0.819 35.5-173.8 -90.1 127.9 9.1 20.2 49.9 81 1081 A V E -GH 63 135B 0 -18,-3.5 -18,-2.4 -2,-0.5 2,-0.5 -0.937 33.4-136.8-134.8 153.9 12.2 22.2 48.9 82 1082 A I E -GH 62 134B 0 52,-3.3 52,-1.4 -2,-0.3 -20,-0.2 -0.898 27.1-154.5 -99.7 128.0 16.0 22.0 48.7 83 1083 A V E -G 61 0B 2 -22,-1.6 -22,-0.7 -2,-0.5 50,-0.1 -0.901 8.4-139.5-111.0 106.8 17.5 25.3 50.0 84 1084 A P - 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0 0 61 -2,-1.1 47,-0.7 4,-0.7 2,-0.3 0.930 65.0 -61.3 -53.0 -45.2 82.0 38.3 35.9 360 2008 B G E > S-Y 363 0H 13 3,-1.4 3,-2.6 -3,-0.2 -1,-0.2 -0.947 90.4 -17.1-179.2-170.0 80.4 37.6 39.2 361 2009 B I T 3 S- 0 0 95 1,-0.3 36,-0.2 -2,-0.3 35,-0.1 -0.254 133.5 -5.8 -53.5 129.8 78.4 39.1 42.0 362 2010 B N T 3 S+ 0 0 98 34,-0.9 2,-0.5 1,-0.2 -1,-0.3 0.617 114.6 115.2 59.2 12.0 78.5 42.9 41.8 363 2011 B K E < +Y 360 0H 117 -3,-2.6 -3,-1.4 33,-0.1 -4,-0.7 -0.956 37.0 168.6-120.5 124.2 81.0 42.4 39.0 364 2012 B L E +Y 358 0H 25 -2,-0.5 2,-0.2 -6,-0.2 -6,-0.2 -0.951 13.4 127.4-130.0 149.3 80.5 43.4 35.4 365 2013 B G E -Y 357 0H 11 -8,-1.7 -8,-2.1 -2,-0.3 -10,-0.1 -0.859 55.3 -79.7 170.0 155.1 82.9 43.7 32.4 366 2014 B W E -Y 356 0H 60 -10,-0.2 2,-0.3 -2,-0.2 -10,-0.2 -0.362 48.6-176.8 -68.3 149.1 83.6 42.7 28.9 367 2015 B I E -Y 355 0H 25 -12,-0.9 -12,-1.5 -2,-0.0 2,-0.5 -0.927 27.6-112.1-143.3 166.8 85.0 39.2 28.3 368 2016 B E E +Y 354 0H 144 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.911 41.0 162.8-106.5 121.8 86.3 36.9 25.5 369 2017 B K - 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