==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-JAN-02 1GU7 . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH, . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA TROPICALIS; . AUTHOR T.T.AIRENNE,J.M.TORKKO,R.K.WIERENGA,J.K.HILTUNEN . 728 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 505 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 12.6 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 . 43 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.2 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 5 4 0 2 2 4 4 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 0 PARALLEL BRIDGES PER LADDER . 5 4 1 4 2 2 2 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 3 0 0 2 0 0 0 0 1 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 23 A M 0 0 100 0, 0.0 2,-0.4 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 142.2 -5.4 109.0 69.8 2 24 A I E -A 26 0A 29 24,-2.8 24,-2.3 2,-0.0 2,-0.7 -0.942 360.0-142.7-117.5 136.0 -4.0 108.5 66.4 3 25 A T E -A 25 0A 82 -2,-0.4 22,-0.2 22,-0.2 2,-0.2 -0.907 29.2-175.3-100.2 115.9 -3.1 111.4 64.0 4 26 A A E -A 24 0A 0 20,-3.7 20,-2.7 -2,-0.7 2,-0.4 -0.628 17.6-139.8-107.9 166.2 -3.9 110.3 60.5 5 27 A Q E -A 23 0A 41 18,-0.2 107,-2.7 -2,-0.2 2,-0.4 -0.990 17.3-173.6-128.2 136.6 -3.4 112.0 57.0 6 28 A A E -AB 22 111A 1 16,-2.4 16,-2.9 -2,-0.4 2,-0.6 -0.986 24.3-130.2-133.0 144.0 -5.9 112.0 54.1 7 29 A V E +A 21 0A 0 103,-2.5 69,-0.6 -2,-0.4 2,-0.3 -0.798 45.3 161.8 -89.9 123.7 -5.7 113.2 50.5 8 30 A L E -AC 20 75A 0 12,-2.7 12,-1.8 -2,-0.6 2,-0.3 -0.826 29.4-155.2-137.4 173.2 -8.7 115.4 49.9 9 31 A Y E - C 0 74A 1 65,-1.2 65,-2.4 -2,-0.3 10,-0.1 -0.979 11.2-160.8-149.3 149.4 -10.2 118.1 47.6 10 32 A T S S+ 0 0 18 8,-0.4 2,-0.3 -2,-0.3 9,-0.1 0.533 85.3 31.7-105.5 -14.1 -12.8 120.7 48.1 11 33 A Q S S- 0 0 119 7,-0.3 -1,-0.3 63,-0.1 2,-0.1 -0.998 86.7-108.4-145.3 143.5 -13.4 121.2 44.4 12 34 A H + 0 0 58 -2,-0.3 2,-0.3 -3,-0.1 42,-0.2 -0.369 61.7 104.1 -70.7 149.6 -13.3 118.9 41.4 13 35 A G S S- 0 0 21 40,-1.8 42,-0.1 -2,-0.1 5,-0.0 -0.964 75.2 -30.1 166.7-168.9 -10.6 119.2 38.8 14 36 A E >> - 0 0 91 -2,-0.3 3,-2.2 1,-0.1 4,-1.7 -0.494 59.8-120.9 -70.8 139.3 -7.4 117.6 37.7 15 37 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.874 112.0 61.0 -47.8 -41.1 -5.6 115.9 40.7 16 38 A K H 34 S+ 0 0 157 1,-0.2 333,-0.1 2,-0.2 -2,-0.0 0.702 112.7 37.5 -61.1 -20.5 -2.5 118.0 40.2 17 39 A D H <4 S+ 0 0 120 -3,-2.2 -1,-0.2 3,-0.0 -3,-0.0 0.736 123.7 32.4-102.9 -29.0 -4.6 121.2 40.8 18 40 A V H < S+ 0 0 18 -4,-1.7 -8,-0.4 -9,-0.1 -7,-0.3 0.582 87.2 100.9-111.4 -9.8 -7.1 120.2 43.6 19 41 A L < + 0 0 11 -4,-1.8 2,-0.3 -5,-0.3 -10,-0.2 -0.493 36.1 159.8 -82.6 147.4 -5.5 117.7 46.0 20 42 A F E -A 8 0A 60 -12,-1.8 -12,-2.7 -2,-0.2 2,-0.5 -0.958 37.2-108.0-153.4 164.5 -4.1 118.5 49.4 21 43 A T E -A 7 0A 36 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.884 27.9-165.4-106.0 133.9 -3.2 116.6 52.5 22 44 A Q E -A 6 0A 46 -16,-2.9 -16,-2.4 -2,-0.5 2,-0.3 -0.944 12.2-142.2-118.0 132.1 -5.3 116.9 55.7 23 45 A S E +A 5 0A 57 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.718 29.9 168.8 -90.9 141.6 -4.3 115.8 59.1 24 46 A F E -A 4 0A 21 -20,-2.7 -20,-3.7 -2,-0.3 2,-0.4 -0.981 26.4-120.4-148.9 160.5 -7.1 114.4 61.3 25 47 A E E -A 3 0A 127 -2,-0.3 2,-0.4 -22,-0.2 -22,-0.2 -0.830 13.0-167.7-111.2 145.0 -7.5 112.5 64.6 26 48 A I E -A 2 0A 8 -24,-2.3 -24,-2.8 -2,-0.4 2,-1.1 -0.997 21.2-137.3-125.9 127.4 -9.1 109.1 65.4 27 49 A D > + 0 0 61 -2,-0.4 3,-1.4 -26,-0.2 -2,-0.0 -0.719 22.0 178.5 -91.1 97.3 -9.7 108.3 69.0 28 50 A D T 3 S+ 0 0 38 -2,-1.1 3,-0.4 1,-0.3 -1,-0.2 0.566 79.0 61.8 -73.0 -8.4 -8.7 104.7 69.5 29 51 A D T 3 S+ 0 0 128 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.436 103.2 50.2 -96.0 0.1 -9.6 104.9 73.2 30 52 A N S < S+ 0 0 123 -3,-1.4 2,-0.3 2,-0.0 -1,-0.2 -0.244 72.3 156.3-133.0 49.4 -13.2 105.6 72.4 31 53 A L - 0 0 33 -3,-0.4 58,-0.3 56,-0.1 56,-0.1 -0.560 39.9-126.0 -78.9 135.2 -14.4 102.9 70.0 32 54 A A > - 0 0 41 -2,-0.3 3,-2.3 56,-0.1 56,-0.2 -0.411 37.7 -94.1 -73.9 157.0 -18.1 102.1 69.8 33 55 A P T 3 S+ 0 0 67 0, 0.0 57,-2.2 0, 0.0 58,-0.4 0.766 123.8 34.3 -40.5 -43.8 -19.0 98.3 70.2 34 56 A N T 3 S+ 0 0 71 56,-0.2 84,-2.2 55,-0.1 85,-0.2 0.318 96.3 114.6-100.1 9.0 -19.1 97.6 66.4 35 57 A E E < -D 117 0B 47 -3,-2.3 53,-2.7 82,-0.2 2,-0.3 -0.434 42.3-167.4 -85.4 156.3 -16.3 99.9 65.3 36 58 A V E -DE 116 87B 0 80,-3.1 80,-2.6 51,-0.2 2,-0.5 -0.992 9.5-151.8-138.8 140.9 -12.9 99.1 63.9 37 59 A I E -DE 115 86B 0 49,-2.8 48,-3.0 -2,-0.3 49,-1.6 -0.970 20.0-175.3-115.1 133.0 -9.8 101.2 63.3 38 60 A V E -DE 114 84B 0 76,-2.5 76,-2.0 -2,-0.5 2,-0.4 -0.888 20.1-142.0-125.8 156.8 -7.4 100.2 60.5 39 61 A K E -DE 113 83B 79 44,-2.5 44,-2.7 -2,-0.3 74,-0.3 -0.939 30.8-116.5-114.1 139.3 -4.1 101.4 59.2 40 62 A T E - E 0 82B 4 72,-2.7 42,-0.3 -2,-0.4 3,-0.1 -0.566 26.6-177.4 -77.5 136.8 -3.6 101.5 55.4 41 63 A L E - 0 0 15 40,-3.2 323,-2.0 1,-0.4 2,-0.3 0.727 68.6 -28.8-100.0 -35.1 -0.9 99.2 54.1 42 64 A G E -FE 363 81B 0 39,-1.7 39,-2.9 321,-0.3 -1,-0.4 -0.913 51.7-168.0-175.4 150.3 -1.2 100.4 50.4 43 65 A S E -F 362 0B 0 319,-2.1 319,-2.2 -2,-0.3 37,-0.2 -0.975 19.4-134.0-149.7 134.8 -3.7 101.8 47.9 44 66 A P E -F 361 0B 0 0, 0.0 2,-0.7 0, 0.0 35,-0.3 -0.362 15.8-118.7 -84.3 168.9 -3.4 102.1 44.2 45 67 A V E +F 360 0B 8 315,-2.0 315,-0.5 -2,-0.1 3,-0.0 -0.939 39.7 179.3-105.8 113.2 -4.2 104.9 41.8 46 68 A N >> - 0 0 11 -2,-0.7 4,-1.6 313,-0.1 3,-0.9 -0.812 40.9-111.5-112.5 156.1 -6.9 103.6 39.4 47 69 A P H 3> S+ 0 0 89 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.887 117.6 55.4 -53.4 -40.8 -8.5 105.5 36.5 48 70 A S H 3> S+ 0 0 31 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.821 103.1 55.8 -63.6 -30.8 -11.9 105.6 38.3 49 71 A D H <> S+ 0 0 0 -3,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.916 110.2 45.9 -64.5 -43.9 -10.2 107.3 41.3 50 72 A I H X S+ 0 0 24 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.892 109.8 53.9 -65.8 -41.8 -8.9 110.0 39.0 51 73 A N H X>S+ 0 0 53 -4,-2.5 5,-2.3 1,-0.2 4,-0.9 0.849 105.7 53.4 -64.5 -33.1 -12.4 110.4 37.3 52 74 A Q H <5S+ 0 0 3 -4,-1.8 3,-0.3 2,-0.2 -1,-0.2 0.912 109.9 47.0 -67.4 -41.9 -14.1 110.9 40.7 53 75 A I H <5S+ 0 0 0 -4,-1.5 -40,-1.8 1,-0.2 -2,-0.2 0.876 110.8 52.9 -64.6 -38.1 -11.7 113.7 41.5 54 76 A Q H <5S- 0 0 52 -4,-2.1 -1,-0.2 -42,-0.2 -2,-0.2 0.692 114.0-123.3 -70.4 -18.5 -12.3 115.2 38.0 55 77 A G T <5S+ 0 0 37 -4,-0.9 -3,-0.2 -3,-0.3 -2,-0.1 0.623 83.8 107.9 84.5 15.8 -16.0 115.0 38.8 56 78 A V < + 0 0 101 -5,-2.3 -4,-0.2 -6,-0.2 -5,-0.1 -0.021 49.2 98.5-114.5 30.6 -16.8 112.9 35.8 57 79 A Y S S- 0 0 45 -6,-0.4 -9,-0.0 -5,-0.2 -8,-0.0 -0.951 71.5-131.8-119.2 137.4 -17.6 109.5 37.5 58 80 A P S S+ 0 0 83 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.730 93.7 47.4 -57.0 -27.0 -21.1 108.3 38.2 59 81 A S + 0 0 31 -3,-0.0 47,-0.1 2,-0.0 -3,-0.1 -0.973 69.2 163.2-123.0 131.9 -20.3 107.4 41.8 60 82 A K - 0 0 111 -2,-0.4 2,-0.1 45,-0.1 16,-0.1 -0.998 40.0-100.3-148.5 149.6 -18.4 109.6 44.2 61 83 A P - 0 0 8 0, 0.0 45,-0.1 0, 0.0 46,-0.1 -0.411 47.5-108.1 -66.7 141.3 -17.7 110.0 48.0 62 84 A A - 0 0 79 44,-0.1 2,-0.3 -2,-0.1 11,-0.1 -0.290 32.0-111.4 -68.8 153.3 -19.8 112.6 49.7 63 85 A K + 0 0 84 11,-0.1 2,-0.3 9,-0.1 11,-0.2 -0.678 47.7 163.3 -86.7 142.1 -18.2 115.8 50.8 64 86 A T B -J 73 0C 59 9,-2.7 9,-1.3 -2,-0.3 3,-0.3 -0.971 54.5-128.2-153.9 170.0 -17.8 116.4 54.6 65 87 A T S > S+ 0 0 92 -2,-0.3 3,-3.2 1,-0.2 -1,-0.1 0.419 80.2 111.2 -94.6 -4.2 -16.3 118.3 57.4 66 88 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.2 7,-0.1 -3,-0.0 0.751 72.4 50.9 -41.0 -42.3 -15.5 114.8 58.8 67 89 A F T 3 S- 0 0 25 -3,-0.3 -1,-0.3 6,-0.2 2,-0.2 0.269 117.8-117.5 -84.7 14.8 -11.8 115.1 58.3 68 90 A G < + 0 0 56 -3,-3.2 -2,-0.1 1,-0.1 3,-0.1 0.072 59.4 157.1 77.2 -25.5 -12.1 118.4 60.2 69 91 A T - 0 0 6 -2,-0.2 2,-0.9 1,-0.2 -1,-0.1 0.361 55.2-105.9 -27.4 159.8 -10.9 120.5 57.2 70 92 A T S S+ 0 0 129 2,-0.1 -1,-0.2 1,-0.0 -5,-0.0 -0.899 100.0 19.3 -93.9 108.5 -11.8 124.2 56.8 71 93 A E S S- 0 0 113 -2,-0.9 -7,-0.1 -3,-0.1 -1,-0.0 0.409 107.6 -66.3 98.1 129.9 -14.3 123.7 53.9 72 94 A P - 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0 0 7 -53,-2.7 3,-1.7 -2,-0.3 -56,-0.1 -0.206 41.8 -94.8 -75.3 169.3 -14.8 97.5 69.6 89 111 A S T 3 S+ 0 0 114 -58,-0.3 -55,-0.1 1,-0.3 -1,-0.1 0.654 122.5 46.1 -58.9 -22.0 -16.2 95.4 72.4 90 112 A N T 3 S+ 0 0 101 -57,-2.2 2,-0.6 -58,-0.1 -1,-0.3 0.324 84.9 110.7-105.7 7.7 -18.8 93.7 70.1 91 113 A V < + 0 0 17 -3,-1.7 -4,-0.1 -58,-0.4 -57,-0.1 -0.728 23.7 149.9 -87.5 123.3 -16.5 93.0 67.2 92 114 A S + 0 0 116 -2,-0.6 -1,-0.2 -58,-0.1 -58,-0.0 0.585 62.4 67.7-121.4 -22.8 -15.9 89.3 66.7 93 115 A S S S+ 0 0 68 1,-0.0 2,-0.3 2,-0.0 30,-0.1 0.674 105.1 39.5 -74.9 -18.7 -15.3 89.0 62.9 94 116 A L - 0 0 8 4,-0.0 2,-0.3 29,-0.0 24,-0.0 -0.961 61.8-175.5-135.1 150.3 -12.0 90.9 63.0 95 117 A E > - 0 0 130 -2,-0.3 3,-2.3 -9,-0.1 -11,-0.3 -0.944 44.9 -72.2-138.2 161.1 -9.0 91.1 65.3 96 118 A A T 3 S+ 0 0 69 -2,-0.3 -11,-0.2 1,-0.3 3,-0.1 -0.222 119.7 27.8 -53.8 136.9 -5.8 93.3 65.4 97 119 A G T 3 S+ 0 0 20 -13,-3.2 -1,-0.3 1,-0.3 -12,-0.1 0.106 87.3 133.4 97.0 -21.5 -3.4 92.3 62.7 98 120 A D < - 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