==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-FEB-07 2OUI . COMPND 2 MOLECULE: NADP-DEPENDENT ALCOHOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR F.FROLOW,L.SHIMON,Y.BURSTEIN,E.GOIHBERG,M.PERETZ,O.DYM . 1440 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1041 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 12.5 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 . 8 0.6 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 . 103 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 191 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 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 12 0 0 0 12 4 1 8 4 3 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 . 12 12 4 4 2 4 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 0 4 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 32 0, 0.0 16,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 152.8 54.8 -20.5 13.1 2 2 A K E +A 16 0A 111 14,-0.2 120,-1.8 12,-0.1 2,-0.3 -0.650 360.0 166.8 -89.6 141.7 51.5 -20.4 15.1 3 3 A G E -AB 15 121A 0 12,-2.1 12,-2.6 -2,-0.3 2,-0.6 -0.985 37.9-118.3-147.0 154.6 48.6 -18.2 14.1 4 4 A L E -A 14 0A 0 116,-2.2 53,-3.1 -2,-0.3 2,-0.3 -0.876 47.2-174.6 -96.5 119.3 44.9 -18.0 15.1 5 5 A A E -AC 13 56A 0 8,-2.8 8,-1.8 -2,-0.6 2,-0.7 -0.763 38.1-117.6-120.7 156.0 42.8 -18.7 12.0 6 6 A M E -AC 12 55A 0 49,-2.8 49,-1.5 -2,-0.3 48,-0.2 -0.860 31.4-177.8 -81.8 112.6 39.3 -18.7 10.5 7 7 A L E - 0 0 31 4,-2.3 2,-0.3 -2,-0.7 5,-0.2 0.696 64.1 -33.8 -87.8 -23.2 39.1 -22.4 9.5 8 8 A G E > S-A 11 0A 3 3,-1.2 3,-2.3 45,-0.1 -1,-0.4 -0.925 93.6 -47.8-178.6 169.9 35.7 -22.0 8.0 9 9 A I T 3 S+ 0 0 88 -2,-0.3 36,-0.2 1,-0.3 35,-0.1 -0.390 131.3 8.7 -53.2 125.4 32.5 -20.0 8.6 10 10 A G T 3 S+ 0 0 34 34,-2.8 2,-0.4 1,-0.1 -1,-0.3 0.526 112.5 97.3 80.1 8.9 31.8 -20.3 12.3 11 11 A R E < +A 8 0A 132 -3,-2.3 -4,-2.3 33,-0.2 -3,-1.2 -0.989 41.0 172.0-137.5 127.8 35.1 -22.0 13.2 12 12 A I E +A 6 0A 28 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.950 12.6 140.3-130.0 154.0 38.4 -20.7 14.6 13 13 A G E -A 5 0A 13 -8,-1.8 -8,-2.8 -2,-0.3 2,-0.3 -0.958 50.7 -77.2-177.3 166.2 41.6 -22.4 15.9 14 14 A W E +A 4 0A 79 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.610 49.0 173.3 -78.0 133.2 45.4 -22.3 16.0 15 15 A I E -A 3 0A 34 -12,-2.6 -12,-2.1 -2,-0.3 2,-0.4 -0.849 30.4-115.2-130.9 169.2 47.2 -23.5 12.9 16 16 A E E +A 2 0A 130 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.912 33.4 175.1-109.2 133.9 50.8 -23.7 11.7 17 17 A K - 0 0 58 -16,-2.1 2,-0.1 -2,-0.4 37,-0.0 -0.929 35.9-100.0-133.1 152.1 51.8 -21.7 8.6 18 18 A K - 0 0 139 -2,-0.3 3,-0.1 1,-0.1 0, 0.0 -0.457 48.9 -94.2 -68.4 148.4 55.2 -21.2 7.0 19 19 A I - 0 0 99 -2,-0.1 -1,-0.1 1,-0.1 105,-0.1 -0.484 56.8-103.8 -58.8 130.0 57.0 -17.9 7.8 20 20 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.260 32.4-104.4 -65.9 148.3 56.0 -15.6 4.9 21 21 A E - 0 0 140 -3,-0.1 2,-0.7 1,-0.1 -3,-0.0 -0.473 29.9-140.6 -68.3 140.3 58.5 -14.8 2.1 22 22 A C - 0 0 31 -2,-0.2 46,-0.1 4,-0.1 6,-0.1 -0.921 19.0-164.4-111.8 106.1 60.0 -11.4 2.4 23 23 A G > - 0 0 23 -2,-0.7 3,-1.7 46,-0.1 46,-0.2 -0.277 41.3 -82.2 -81.8 175.8 60.3 -9.7 -1.0 24 24 A P T 3 S+ 0 0 32 0, 0.0 47,-2.3 0, 0.0 48,-0.3 0.751 129.0 34.4 -53.1 -36.4 62.4 -6.6 -1.8 25 25 A L T 3 S+ 0 0 47 45,-0.1 104,-2.2 46,-0.1 105,-0.5 0.446 104.9 93.2 -97.3 -2.3 59.9 -4.0 -0.6 26 26 A D < - 0 0 28 -3,-1.7 43,-2.7 102,-0.2 2,-0.3 -0.340 53.3-154.8 -93.8 169.8 58.4 -6.1 2.3 27 27 A A E -DE 68 126B 0 99,-1.8 99,-2.5 41,-0.2 2,-0.4 -0.988 12.3-139.0-136.5 149.3 59.0 -6.5 6.1 28 28 A L E -DE 67 125B 8 39,-2.7 38,-3.0 -2,-0.3 39,-1.5 -0.924 27.5-167.9-103.8 138.0 58.4 -9.3 8.5 29 29 A V E -DE 65 124B 0 95,-2.7 95,-2.8 -2,-0.4 36,-0.2 -0.959 17.5-149.6-132.4 137.5 57.0 -8.2 11.8 30 30 A R E -D 64 0B 24 34,-2.8 34,-2.7 -2,-0.4 2,-0.2 -0.881 35.0-109.6-102.8 139.8 56.5 -9.9 15.2 31 31 A P E +D 63 0B 0 0, 0.0 32,-0.3 0, 0.0 3,-0.1 -0.512 35.8 171.1 -75.1 139.9 53.6 -8.6 17.4 32 32 A L E S+ 0 0 1 30,-3.0 319,-2.3 1,-0.4 2,-0.3 0.608 79.0 11.3-110.0 -31.7 54.2 -6.5 20.6 33 33 A A E S-DF 62 350B 0 29,-2.0 29,-2.1 317,-0.2 -1,-0.4 -0.975 71.3-177.5-148.6 139.2 50.6 -5.5 21.2 34 34 A L E -DF 61 349B 0 315,-2.5 315,-3.0 -2,-0.3 27,-0.2 -0.961 7.1-167.0-134.3 152.3 47.4 -6.8 19.5 35 35 A A - 0 0 1 25,-1.6 24,-0.5 -2,-0.3 25,-0.4 -0.994 18.1-129.3-138.6 146.7 43.7 -6.1 19.6 36 36 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.0 -0.563 22.3-146.1 -89.0 159.5 40.6 -8.0 18.2 37 37 A C >> - 0 0 6 -2,-0.2 3,-1.0 1,-0.1 4,-0.7 -0.960 23.3-128.7-130.7 142.8 37.9 -6.4 16.1 38 38 A T H >> S+ 0 0 58 -2,-0.4 4,-1.8 1,-0.2 3,-0.9 0.827 107.3 70.3 -50.2 -35.2 34.1 -6.8 15.7 39 39 A S H 3> S+ 0 0 21 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.896 93.6 53.9 -55.2 -41.5 34.8 -7.0 12.0 40 40 A D H <> S+ 0 0 0 -3,-1.0 4,-2.5 1,-0.2 -1,-0.3 0.805 103.7 55.6 -67.5 -26.5 36.4 -10.4 12.5 41 41 A T H S+ 0 0 19 -3,-0.9 4,-2.3 -4,-0.7 5,-0.8 0.895 109.1 47.1 -68.3 -39.1 33.3 -11.6 14.3 42 42 A H H X>S+ 0 0 39 -4,-1.8 6,-1.6 3,-0.2 4,-1.2 0.945 114.1 48.7 -62.6 -47.0 31.2 -10.6 11.1 43 43 A T H <5S+ 0 0 0 -4,-2.6 4,-0.4 4,-0.2 6,-0.3 0.931 121.5 32.7 -59.6 -48.4 33.8 -12.4 8.9 44 44 A V H <5S+ 0 0 0 -4,-2.5 -34,-2.8 -5,-0.2 -33,-0.2 0.962 131.3 25.2 -76.7 -54.6 33.9 -15.6 10.9 45 45 A W H <5S+ 0 0 71 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.768 131.2 36.2 -92.6 -22.0 30.4 -16.1 12.4 46 46 A A T < < + 0 0 16 -5,-0.8 3,-2.1 -4,-0.4 -4,-0.2 0.784 42.7 162.8 59.7 30.5 30.3 -15.1 6.7 48 48 A A T 3 S+ 0 0 9 -6,-1.6 -5,-0.2 1,-0.3 -1,-0.1 0.601 71.6 30.2 -61.2 -21.8 29.9 -11.4 5.7 49 49 A I T 3 S- 0 0 30 1,-0.4 -1,-0.3 -6,-0.3 -6,-0.1 0.019 125.0 -84.5-126.7 27.2 32.7 -11.4 3.2 50 50 A G < - 0 0 34 -3,-2.1 -1,-0.4 -4,-0.1 -3,-0.1 -0.021 59.8 -50.7 94.5 164.7 32.5 -15.0 2.0 51 51 A D - 0 0 88 -3,-0.1 2,-0.3 -4,-0.1 -7,-0.1 -0.282 52.2-173.8 -69.1 153.6 34.0 -18.3 3.2 52 52 A R - 0 0 52 -8,-0.1 2,-0.4 -9,-0.1 -43,-0.1 -0.966 12.8-152.7-140.9 155.8 37.7 -18.7 4.0 53 53 A H S S- 0 0 118 -2,-0.3 -46,-0.2 -45,-0.1 -45,-0.1 -0.997 75.7 -6.9-132.6 137.4 40.0 -21.5 5.0 54 54 A D S S+ 0 0 78 -2,-0.4 2,-0.6 -48,-0.2 -47,-0.2 0.636 82.0 154.7 56.3 29.3 43.2 -21.2 7.0 55 55 A M E -C 6 0A 8 -49,-1.5 -49,-2.8 62,-0.1 -1,-0.2 -0.734 43.0-129.4 -87.8 117.8 43.2 -17.4 7.1 56 56 A I E -C 5 0A 0 -2,-0.6 62,-2.0 -51,-0.3 57,-0.5 -0.389 30.1-133.7 -64.2 137.9 45.0 -15.9 10.1 57 57 A L + 0 0 0 -53,-3.1 63,-2.4 63,-0.2 -53,-0.2 -0.284 52.7 62.1 -94.5 174.9 42.9 -13.3 11.9 58 58 A G - 0 0 0 60,-0.2 61,-1.6 61,-0.2 62,-0.2 0.410 34.0-165.6 88.0 142.5 43.5 -9.8 13.2 59 59 A H + 0 0 4 -24,-0.5 2,-0.4 59,-0.2 -1,-0.1 0.094 63.7 87.4-149.5 26.1 44.4 -6.5 11.8 60 60 A E + 0 0 1 -25,-0.4 -25,-1.6 25,-0.1 2,-0.3 -0.951 53.8 142.3-134.0 111.1 45.4 -4.3 14.7 61 61 A A E -DG 34 83B 0 22,-0.8 22,-2.3 -2,-0.4 2,-0.4 -0.998 42.2-158.1-149.5 146.1 49.1 -4.5 15.8 62 62 A V E +DG 33 82B 0 -29,-2.1 -30,-3.0 -2,-0.3 -29,-2.0 -0.964 45.5 168.0-110.9 135.0 52.1 -2.6 17.2 63 63 A G E -DG 31 81B 0 18,-2.7 18,-3.0 -2,-0.4 2,-0.4 -0.794 36.9-114.9-143.9-179.4 55.0 -4.8 16.2 64 64 A Q E -DG 30 80B 2 -34,-2.7 -34,-2.8 -2,-0.2 16,-0.2 -0.993 34.0-114.5-127.0 130.4 58.8 -5.1 15.9 65 65 A I E +D 29 0B 0 14,-2.8 13,-3.0 -2,-0.4 -36,-0.3 -0.465 34.4 169.5 -63.5 127.0 60.6 -5.6 12.5 66 66 A V E + 0 0 44 -38,-3.0 2,-0.3 1,-0.4 -37,-0.2 0.555 69.4 11.0-111.1 -18.1 62.4 -9.0 12.3 67 67 A K E -D 28 0B 110 -39,-1.5 -39,-2.7 9,-0.1 -1,-0.4 -0.958 60.9-164.1-157.8 140.7 63.3 -8.9 8.6 68 68 A V E -D 27 0B 40 -2,-0.3 -41,-0.2 -41,-0.2 -46,-0.1 -0.972 25.8-113.1-125.6 148.6 63.4 -6.3 5.8 69 69 A G > - 0 0 9 -43,-2.7 3,-1.8 -2,-0.3 -46,-0.1 -0.213 37.5 -98.9 -71.0 167.3 63.6 -6.7 2.0 70 70 A S T 3 S+ 0 0 108 1,-0.3 -45,-0.1 3,-0.0 -1,-0.1 0.654 120.8 46.9 -65.1 -16.5 66.7 -5.6 0.0 71 71 A L T 3 S+ 0 0 70 -47,-2.3 2,-0.5 -48,-0.1 -1,-0.3 0.239 78.4 120.0-110.8 13.3 65.0 -2.3 -1.1 72 72 A V < + 0 0 21 -3,-1.8 -47,-0.1 -48,-0.3 -46,-0.1 -0.687 30.4 168.2 -79.8 126.1 63.7 -1.2 2.3 73 73 A K + 0 0 177 -2,-0.5 -1,-0.1 -48,-0.1 -48,-0.0 0.625 65.4 46.9-113.6 -21.7 65.2 2.2 3.1 74 74 A R S S+ 0 0 127 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 0.543 105.3 56.7-104.7 -10.9 63.4 3.6 6.1 75 75 A L - 0 0 14 4,-0.0 2,-0.3 60,-0.0 55,-0.1 -0.884 56.2-168.2-128.6 151.0 63.2 0.6 8.5 76 76 A K > - 0 0 139 -2,-0.3 3,-2.3 -9,-0.0 -11,-0.3 -0.968 40.6 -82.7-137.2 156.1 65.6 -1.7 10.1 77 77 A V T 3 S+ 0 0 40 -2,-0.3 -11,-0.2 1,-0.3 3,-0.1 -0.306 117.9 31.7 -50.2 132.7 65.4 -5.0 12.0 78 78 A G T 3 S+ 0 0 15 -13,-3.0 -1,-0.3 1,-0.3 281,-0.1 0.052 85.5 134.0 100.6 -25.1 64.6 -4.2 15.6 79 79 A D < - 0 0 20 -3,-2.3 -14,-2.8 -15,-0.1 2,-0.4 -0.308 52.5-133.6 -61.6 140.6 62.4 -1.1 14.9 80 80 A K E -G 64 0B 65 -16,-0.2 56,-2.7 56,-0.2 2,-0.3 -0.826 32.6-176.7-100.6 133.4 59.1 -0.8 16.7 81 81 A V E -GH 63 135B 0 -18,-3.0 -18,-2.7 -2,-0.4 2,-0.6 -0.918 33.6-126.3-136.7 153.7 56.2 0.1 14.4 82 82 A I E -GH 62 134B 1 52,-2.6 52,-1.6 -2,-0.3 -20,-0.2 -0.887 31.5-149.6 -94.7 122.9 52.5 1.0 14.3 83 83 A V E -G 61 0B 2 -22,-2.3 -22,-0.8 -2,-0.6 50,-0.1 -0.853 7.2-141.0 -99.6 118.2 50.9 -1.3 11.8 84 84 A P - 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