==== 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 25-MAY-05 1ZSY . COMPND 2 MOLECULE: MITOCHONDRIAL 2-ENOYL THIOESTER REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.LUKACIK,N.SHAFQAT,K.L.KAVANAGH,C.JOHANSSON,C.SMEE,A.EDWARD . 347 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 11.2 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 . 23 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 1 2 1 3 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 4 1 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 . 1 2 1 1 1 2 0 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 . 0 0 1 0 1 1 0 0 0 0 0 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 11 A V 0 0 46 0, 0.0 2,-0.7 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 122.7 24.6 18.5 37.2 2 12 A D > - 0 0 96 1,-0.1 3,-2.0 344,-0.0 130,-0.1 -0.914 360.0-149.1-100.1 111.4 21.4 17.4 38.9 3 13 A L T 3 S+ 0 0 11 -2,-0.7 130,-0.6 1,-0.3 129,-0.2 0.728 90.8 47.1 -56.2 -29.9 18.6 18.0 36.3 4 14 A G T 3 S+ 0 0 56 128,-0.1 -1,-0.3 127,-0.1 -2,-0.0 0.362 79.4 135.2 -97.6 5.0 15.9 18.8 38.8 5 15 A T < - 0 0 34 -3,-2.0 127,-0.4 1,-0.2 3,-0.0 -0.146 45.7-157.3 -53.7 144.4 17.8 21.3 41.0 6 16 A E S S+ 0 0 190 1,-0.1 2,-1.0 125,-0.1 -1,-0.2 0.393 81.8 84.6 -94.4 -3.9 16.0 24.5 42.0 7 17 A N - 0 0 103 2,-0.1 2,-1.6 1,-0.1 -2,-0.1 -0.817 67.6-167.1-100.3 93.7 19.5 26.0 42.5 8 18 A L + 0 0 27 -2,-1.0 2,-0.3 120,-0.1 -1,-0.1 -0.210 52.4 99.2 -87.6 47.0 20.3 27.0 39.0 9 19 A Y - 0 0 183 -2,-1.6 2,-0.3 2,-0.0 -2,-0.1 -0.985 49.5-174.1-130.2 141.4 24.1 27.6 39.6 10 20 A F - 0 0 38 -2,-0.3 2,-0.2 -9,-0.1 -2,-0.0 -0.967 25.5-115.5-139.5 147.7 26.8 25.2 38.7 11 21 A Q - 0 0 128 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.621 21.0-172.0 -80.4 146.0 30.6 24.8 39.1 12 22 A S + 0 0 50 -2,-0.2 3,-0.1 75,-0.0 -1,-0.1 -0.177 22.7 155.2-133.7 38.8 32.7 24.8 36.0 13 23 A M - 0 0 142 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.327 58.2 -75.6 -65.5 150.7 36.1 23.9 37.2 14 24 A P + 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.169 62.8 159.4 -51.5 135.1 38.4 22.3 34.6 15 25 A A - 0 0 71 -3,-0.1 99,-0.0 0, 0.0 -3,-0.0 -0.968 46.7 -76.7-149.9 162.7 37.7 18.6 33.7 16 26 A R - 0 0 171 -2,-0.3 2,-0.5 1,-0.1 22,-0.1 -0.236 48.3-114.8 -63.5 148.1 38.5 16.3 30.8 17 27 A V E +A 37 0A 13 20,-0.6 20,-2.1 97,-0.1 2,-0.4 -0.772 37.4 179.6 -86.5 127.2 36.5 16.8 27.7 18 28 A R E +A 36 0A 37 -2,-0.5 96,-2.4 18,-0.2 97,-0.3 -0.964 1.9 176.2-129.3 142.4 34.3 13.8 26.9 19 29 A A E -AB 35 113A 0 16,-2.4 16,-3.0 -2,-0.4 2,-0.7 -0.991 35.4-120.2-147.4 150.5 32.0 13.5 23.9 20 30 A L E -A 34 0A 1 92,-3.0 58,-2.9 -2,-0.3 2,-0.4 -0.867 45.9-179.7 -92.9 113.8 29.6 11.0 22.2 21 31 A V E -AC 33 77A 15 12,-2.9 12,-2.6 -2,-0.7 2,-0.4 -0.915 20.8-162.2-121.3 140.3 31.1 10.6 18.7 22 32 A Y E -AC 32 76A 3 54,-2.6 54,-2.5 -2,-0.4 10,-0.2 -0.986 7.4-174.6-122.2 135.5 30.1 8.5 15.7 23 33 A G S S+ 0 0 35 8,-0.6 2,-0.3 -2,-0.4 -1,-0.1 0.519 75.6 30.0-103.1 -11.5 32.5 7.8 12.8 24 34 A H S S- 0 0 139 7,-0.2 2,-0.2 52,-0.1 -1,-0.2 -0.975 86.7-106.9-139.8 153.2 30.0 6.1 10.5 25 35 A H S S+ 0 0 72 -2,-0.3 2,-0.3 40,-0.1 40,-0.3 -0.551 70.4 88.5 -75.7 146.2 26.3 6.4 10.0 26 36 A G S S- 0 0 23 38,-1.9 40,-0.1 -2,-0.2 3,-0.0 -0.992 77.1 -3.1 163.4-157.5 24.3 3.5 11.4 27 37 A D >> - 0 0 72 -2,-0.3 3,-2.2 1,-0.2 4,-2.2 -0.538 58.2-140.6 -66.3 117.4 22.5 2.1 14.5 28 38 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.862 101.4 60.0 -49.2 -41.4 23.2 4.7 17.3 29 39 A A H 34 S+ 0 0 25 1,-0.2 303,-0.1 2,-0.2 -2,-0.1 0.738 116.7 33.0 -55.8 -25.7 23.7 1.9 19.8 30 40 A K H <4 S+ 0 0 159 -3,-2.2 -1,-0.2 3,-0.0 -3,-0.0 0.747 122.2 40.5-104.2 -32.3 26.5 0.6 17.6 31 41 A V H < S+ 0 0 25 -4,-2.2 -8,-0.6 -9,-0.1 2,-0.4 0.686 92.6 88.2 -97.4 -19.5 28.2 3.6 16.1 32 42 A V E < +A 22 0A 4 -4,-1.9 2,-0.3 -5,-0.3 -10,-0.2 -0.704 54.2 176.9 -88.7 126.9 28.2 6.1 19.0 33 43 A E E -A 21 0A 95 -12,-2.6 -12,-2.9 -2,-0.4 2,-0.5 -0.958 32.9-119.4-129.2 145.4 31.2 5.9 21.3 34 44 A L E +A 20 0A 65 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.757 44.8 176.0 -84.1 124.2 32.3 7.9 24.3 35 45 A K E -A 19 0A 93 -16,-3.0 -16,-2.4 -2,-0.5 2,-0.4 -0.935 32.8-120.4-129.9 153.3 35.6 9.5 23.6 36 46 A N E -A 18 0A 101 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.758 31.9-160.1 -86.8 138.1 38.1 11.9 25.1 37 47 A L E -A 17 0A 64 -20,-2.1 -20,-0.6 -2,-0.4 2,-0.1 -0.834 19.8-105.8-116.2 157.1 38.7 15.1 23.1 38 48 A E - 0 0 183 -2,-0.3 2,-0.5 1,-0.1 -1,-0.0 -0.432 43.3 -94.8 -75.9 153.5 41.6 17.6 23.2 39 49 A L - 0 0 119 -2,-0.1 2,-0.1 1,-0.0 -1,-0.1 -0.602 47.1-141.9 -70.6 117.3 41.2 21.0 24.7 40 50 A A - 0 0 54 -2,-0.5 2,-0.3 1,-0.1 -1,-0.0 -0.435 12.6-109.3 -84.4 157.1 40.3 23.4 21.9 41 51 A A - 0 0 86 -2,-0.1 2,-0.8 76,-0.1 -1,-0.1 -0.613 20.2-131.8 -86.0 142.9 41.5 27.0 21.4 42 52 A V - 0 0 43 -2,-0.3 49,-0.2 4,-0.1 6,-0.1 -0.848 26.4-161.8 -96.7 107.1 39.2 30.0 21.8 43 53 A R > - 0 0 58 -2,-0.8 3,-1.8 47,-0.1 47,-0.2 -0.244 41.2 -77.5 -79.0 176.1 39.7 32.3 18.8 44 54 A G T 3 S+ 0 0 22 1,-0.3 48,-2.1 46,-0.2 49,-0.5 0.790 129.7 26.9 -43.3 -49.0 38.6 36.0 18.8 45 55 A S T 3 S+ 0 0 48 47,-0.2 75,-2.6 46,-0.1 -1,-0.3 0.192 102.5 102.9-108.1 16.1 34.9 35.5 18.2 46 56 A D E < -D 119 0B 38 -3,-1.8 44,-2.7 73,-0.2 2,-0.3 -0.524 52.0-156.8 -90.9 159.4 34.6 32.0 19.8 47 57 A V E -DE 118 89B 0 71,-2.7 71,-2.7 42,-0.2 2,-0.5 -0.991 13.2-133.7-133.4 148.4 33.2 31.1 23.2 48 58 A R E -DE 117 88B 44 40,-2.7 39,-3.1 -2,-0.3 40,-1.5 -0.856 28.6-171.0 -96.8 130.5 33.9 28.1 25.4 49 59 A V E -DE 116 86B 0 67,-2.8 67,-2.1 -2,-0.5 2,-0.6 -0.915 21.7-142.6-123.0 152.6 30.8 26.5 26.9 50 60 A K E -DE 115 85B 32 35,-2.8 35,-2.9 -2,-0.3 65,-0.3 -0.967 28.9-128.4-111.1 118.3 30.2 23.8 29.4 51 61 A M E - E 0 84B 5 63,-1.6 33,-0.3 -2,-0.6 296,-0.2 -0.467 25.8-178.4 -68.2 130.8 27.2 21.6 28.5 52 62 A L E - 0 0 0 31,-2.8 295,-1.3 1,-0.4 2,-0.3 0.858 64.2 -14.2 -97.3 -48.2 24.6 21.3 31.3 53 63 A A E -FE 346 83B 0 30,-1.5 30,-2.5 293,-0.2 -1,-0.4 -0.971 54.5-173.2-157.1 146.9 22.0 19.0 29.8 54 64 A A E -F 345 0B 0 291,-2.5 291,-2.7 -2,-0.3 28,-0.2 -0.965 18.7-138.3-146.3 121.1 21.1 17.7 26.3 55 65 A P E -F 344 0B 0 0, 0.0 2,-0.6 0, 0.0 26,-0.4 -0.306 17.2-123.2 -72.5 161.8 18.0 15.6 25.4 56 66 A I - 0 0 3 287,-2.2 287,-0.4 23,-0.1 -2,-0.0 -0.963 40.1-177.5-102.0 117.8 18.1 12.7 23.0 57 67 A N >> - 0 0 3 -2,-0.6 4,-1.6 285,-0.1 3,-0.8 -0.767 40.6-109.4-116.4 156.3 15.5 13.5 20.3 58 68 A P H 3> S+ 0 0 88 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.864 119.0 56.3 -50.7 -40.7 14.3 11.5 17.2 59 69 A S H 3> S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.849 103.1 54.8 -63.0 -33.7 16.1 13.9 14.9 60 70 A D H <> S+ 0 0 1 -3,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.921 111.1 45.7 -61.6 -42.2 19.4 13.1 16.7 61 71 A I H X S+ 0 0 11 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.924 111.8 50.0 -68.1 -46.6 18.8 9.4 16.0 62 72 A N H X>S+ 0 0 54 -4,-2.7 5,-2.2 1,-0.2 4,-1.1 0.912 109.2 53.0 -62.6 -40.5 17.9 10.0 12.4 63 73 A M H ><5S+ 0 0 5 -4,-2.5 3,-0.6 2,-0.2 -1,-0.2 0.928 110.3 46.6 -57.9 -46.5 21.0 12.0 11.8 64 74 A I H 3<5S+ 0 0 1 -4,-1.9 -38,-1.9 1,-0.2 -2,-0.2 0.918 111.6 52.0 -64.2 -40.2 23.2 9.3 13.3 65 75 A Q H 3<5S- 0 0 58 -4,-2.7 -1,-0.2 -40,-0.3 -2,-0.2 0.687 115.2-119.3 -66.9 -18.5 21.3 6.7 11.1 66 76 A G T <<5S+ 0 0 22 -4,-1.1 2,-0.6 -3,-0.6 -3,-0.2 0.595 81.8 115.4 88.0 14.3 22.0 8.9 8.1 67 77 A N < + 0 0 109 -5,-2.2 2,-0.3 -6,-0.2 -4,-0.1 -0.636 49.7 95.9-115.6 69.2 18.3 9.5 7.3 68 78 A Y S S- 0 0 65 -2,-0.6 -9,-0.0 -5,-0.2 3,-0.0 -0.981 78.8-115.0-155.2 157.0 18.0 13.2 7.8 69 79 A G S S+ 0 0 63 -2,-0.3 2,-0.4 1,-0.1 -1,-0.0 0.593 104.9 45.9 -75.5 -13.3 18.1 16.4 5.7 70 80 A L - 0 0 64 2,-0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.995 65.9-179.3-130.1 124.9 21.2 17.6 7.4 71 81 A L - 0 0 76 -2,-0.4 3,-0.1 -5,-0.1 -7,-0.0 -0.852 20.2-141.1-130.0 97.9 24.2 15.3 7.9 72 82 A P - 0 0 30 0, 0.0 4,-0.1 0, 0.0 36,-0.0 -0.152 36.9 -90.7 -53.6 149.4 27.3 16.8 9.7 73 83 A E - 0 0 91 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.343 63.5 -78.0 -63.9 141.1 30.6 15.7 8.3 74 84 A L S S+ 0 0 60 -3,-0.1 -51,-0.1 -51,-0.1 2,-0.1 -0.657 110.5 48.3 -94.5 149.2 32.0 12.5 10.1 75 85 A P S S+ 0 0 103 0, 0.0 2,-0.3 0, 0.0 -52,-0.2 0.486 88.1 170.0 -69.4 144.0 33.4 11.9 12.6 76 86 A A E -C 22 0A 9 -54,-2.5 -54,-2.6 -2,-0.1 2,-0.4 -0.891 38.1-117.6-128.7 154.6 30.7 13.9 14.3 77 87 A V E -C 21 0A 25 -2,-0.3 -56,-0.3 -56,-0.2 34,-0.1 -0.746 39.6-119.5 -86.7 136.9 29.5 14.6 17.9 78 88 A G + 0 0 1 -58,-2.9 34,-2.6 -2,-0.4 33,-0.2 -0.305 67.3 54.0 -70.0 159.3 25.9 13.4 18.5 79 89 A G - 0 0 3 31,-0.3 31,-1.3 32,-0.2 32,-1.1 0.437 42.4-159.3 96.9 137.3 23.0 15.7 19.5 80 90 A N S S+ 0 0 14 -25,-0.2 2,-0.3 30,-0.2 29,-0.3 0.569 73.1 58.9-119.1 -17.9 21.5 18.8 18.2 81 91 A E + 0 0 5 -26,-0.4 2,-0.3 22,-0.1 30,-0.1 -0.841 61.6 106.5-117.5 148.0 19.7 20.2 21.2 82 92 A G - 0 0 1 -2,-0.3 2,-0.4 53,-0.2 -28,-0.2 -0.859 51.7-106.6 165.2 172.1 20.9 21.3 24.7 83 93 A V E +E 53 0B 0 -30,-2.5 -31,-2.8 -2,-0.3 -30,-1.5 -0.958 33.5 176.9-123.8 139.9 21.7 24.0 27.1 84 94 A A E -EG 51 102B 3 18,-2.4 18,-2.5 -2,-0.4 2,-0.4 -0.906 26.6-122.6-136.0 162.4 25.2 25.1 28.1 85 95 A Q E -EG 50 101B 22 -35,-2.9 -35,-2.8 -2,-0.3 2,-0.3 -0.929 28.4-121.2-106.5 133.1 26.8 27.7 30.3 86 96 A V E +E 49 0B 0 14,-3.1 13,-3.1 -2,-0.4 -37,-0.3 -0.560 34.7 171.9 -68.5 128.1 29.4 30.1 28.7 87 97 A V E + 0 0 40 -39,-3.1 2,-0.3 1,-0.4 -38,-0.2 0.647 62.1 7.7-109.9 -21.7 32.7 29.7 30.6 88 98 A A E -E 48 0B 36 -40,-1.5 -40,-2.7 9,-0.1 -1,-0.4 -0.979 61.9-153.5-159.6 150.2 35.1 31.8 28.6 89 99 A V E -E 47 0B 50 -2,-0.3 -42,-0.2 -42,-0.2 -44,-0.1 -0.965 23.1-110.6-131.8 145.7 34.9 34.2 25.7 90 100 A G > - 0 0 6 -44,-2.7 3,-2.1 -2,-0.3 -46,-0.2 -0.271 42.3 -98.7 -69.6 162.8 37.4 35.3 22.9 91 101 A S T 3 S+ 0 0 110 1,-0.3 -46,-0.1 -49,-0.2 -47,-0.1 0.689 122.2 48.5 -59.3 -22.9 38.8 38.8 23.0 92 102 A N T 3 S+ 0 0 111 -48,-2.1 2,-0.6 -49,-0.1 -1,-0.3 0.362 85.5 107.1 -99.5 4.0 36.3 40.1 20.4 93 103 A V < + 0 0 12 -3,-2.1 -4,-0.1 -49,-0.5 -48,-0.1 -0.734 25.1 149.3 -86.3 121.1 33.2 38.7 22.0 94 104 A T + 0 0 138 -2,-0.6 -1,-0.2 -49,-0.1 -49,-0.0 0.578 63.2 64.2-121.2 -12.4 31.0 41.3 23.7 95 105 A G S S+ 0 0 54 2,-0.0 2,-0.3 30,-0.0 30,-0.1 0.539 103.3 44.6 -92.2 -13.3 27.4 39.8 23.4 96 106 A L - 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