==== 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 22-DEC-06 2E5M . COMPND 2 MOLECULE: 409AA LONG HYPOTHETICAL NADP-DEPENDENT ISOCITRATE . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII STR. 7; . AUTHOR T.KOUYAMA,H.KONDO . 806 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 581 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 7.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 54 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 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 2 0 0 4 1 1 4 0 3 5 0 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 8 4 0 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 PARALLEL BRIDGES PER LADDER . 1 3 3 0 0 2 2 0 1 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 1 0 0 0 0 0 0 2 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 1 A M 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.5 -8.8 43.7 8.8 2 2 A L + 0 0 52 1,-0.1 2,-0.4 2,-0.1 82,-0.0 0.826 360.0 56.6 -51.4 -34.4 -11.6 42.2 10.7 3 3 A Y S S- 0 0 11 80,-0.0 2,-1.1 61,-0.0 63,-0.1 -0.870 72.3-148.9-109.8 134.2 -9.0 40.5 13.0 4 4 A K - 0 0 159 -2,-0.4 3,-0.1 2,-0.0 -2,-0.1 -0.773 23.4-149.7 -97.7 88.4 -6.3 42.3 14.9 5 5 A E - 0 0 64 -2,-1.1 2,-0.3 1,-0.1 59,-0.1 -0.339 25.1-106.8 -60.1 130.5 -3.6 39.7 14.9 6 6 A P > - 0 0 27 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.448 24.4-156.8 -62.5 119.8 -1.4 39.9 18.1 7 7 A E T 3 S+ 0 0 203 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.0 0.517 88.7 64.5 -75.8 -2.9 1.9 41.4 16.9 8 8 A D T 3 S+ 0 0 97 2,-0.0 -1,-0.2 17,-0.0 2,-0.2 0.543 94.8 72.5 -95.5 -10.4 3.5 39.9 20.0 9 9 A G < - 0 0 18 -3,-1.1 2,-0.3 53,-0.0 52,-0.1 -0.567 62.2-143.7-109.0 170.9 3.0 36.3 18.9 10 10 A E B -a 25 0A 110 14,-3.2 16,-2.2 -2,-0.2 52,-0.2 -0.953 24.8-107.8-131.3 150.4 4.2 33.7 16.5 11 11 A K - 0 0 82 -2,-0.3 2,-0.4 14,-0.2 80,-0.1 -0.330 36.5-108.1 -73.8 155.0 2.5 30.9 14.5 12 12 A I - 0 0 3 79,-0.5 9,-0.2 14,-0.3 2,-0.2 -0.706 36.4-148.7 -84.8 132.4 3.1 27.3 15.4 13 13 A K E -B 20 0B 92 7,-2.7 7,-2.9 -2,-0.4 2,-0.4 -0.545 2.6-138.4 -98.3 168.4 5.3 25.4 12.8 14 14 A F E -B 19 0B 38 5,-0.2 2,-0.5 -2,-0.2 5,-0.2 -0.989 15.3-177.4-135.0 132.4 5.3 21.8 11.7 15 15 A D E > S-B 18 0B 84 3,-2.4 3,-3.4 -2,-0.4 -2,-0.0 -0.947 78.4 -35.3-130.1 110.3 8.1 19.4 11.0 16 16 A K T 3 S- 0 0 187 -2,-0.5 3,-0.1 1,-0.3 301,-0.1 0.780 125.9 -46.9 49.1 29.2 7.2 15.8 9.8 17 17 A G T 3 S+ 0 0 11 299,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.150 111.2 126.7 100.8 -19.2 4.2 16.1 12.1 18 18 A K E < -B 15 0B 106 -3,-3.4 -3,-2.4 1,-0.1 2,-0.4 -0.585 61.8-126.1 -76.0 127.1 6.1 17.4 15.1 19 19 A W E -B 14 0B 23 -2,-0.4 2,-0.8 333,-0.3 -5,-0.2 -0.603 18.1-160.2 -76.2 124.1 4.7 20.6 16.5 20 20 A I E -B 13 0B 72 -7,-2.9 -7,-2.7 -2,-0.4 334,-0.1 -0.911 16.7-169.4-107.5 103.8 7.3 23.3 16.7 21 21 A V - 0 0 32 -2,-0.8 -9,-0.1 332,-0.2 -10,-0.1 -0.854 12.6-147.4-105.7 125.2 6.0 25.8 19.2 22 22 A P - 0 0 19 0, 0.0 -1,-0.0 0, 0.0 -13,-0.0 -0.074 32.7-107.9 -71.2 179.8 7.4 29.4 20.0 23 23 A N S S+ 0 0 96 1,-0.3 37,-3.0 36,-0.1 -14,-0.0 0.694 119.0 40.6 -85.7 -19.2 7.2 30.8 23.5 24 24 A K S S+ 0 0 55 35,-0.2 -14,-3.2 -13,-0.1 -1,-0.3 -0.571 85.5 176.8-124.4 63.7 4.5 33.3 22.3 25 25 A P B -a 10 0A 0 0, 0.0 37,-3.7 0, 0.0 2,-0.5 -0.425 27.8-128.6 -73.1 145.2 2.4 31.1 20.1 26 26 A V E -c 62 0C 0 -16,-2.2 2,-0.4 35,-0.2 -14,-0.3 -0.799 28.6-174.5 -91.3 131.7 -0.8 32.5 18.5 27 27 A I E -c 63 0C 0 35,-1.7 37,-2.2 -2,-0.5 67,-0.2 -0.980 16.1-139.2-134.7 123.6 -3.8 30.3 19.0 28 28 A L E -cd 64 94C 0 65,-2.2 67,-2.1 -2,-0.4 2,-0.3 -0.385 20.8-170.2 -73.4 151.5 -7.2 30.8 17.5 29 29 A Y E -cd 65 95C 33 35,-1.6 37,-1.9 65,-0.3 2,-0.5 -0.993 14.7-156.7-148.6 141.8 -10.3 30.2 19.6 30 30 A I E - d 0 96C 2 65,-2.5 67,-3.9 -2,-0.3 37,-0.1 -0.981 7.8-155.9-120.2 118.7 -14.1 30.1 18.9 31 31 A E - 0 0 31 -2,-0.5 9,-0.3 35,-0.3 -1,-0.1 0.901 35.0-163.4 -58.1 -44.5 -16.5 30.8 21.7 32 32 A G - 0 0 9 36,-0.3 67,-0.2 65,-0.2 -1,-0.1 -0.246 23.7 -48.5 86.0-177.5 -19.2 28.8 20.0 33 33 A D S > S- 0 0 2 65,-2.6 3,-2.6 3,-0.2 2,-0.1 -0.378 98.5 -4.0 -91.9 169.4 -23.0 28.8 20.7 34 34 A G T 3 S+ 0 0 17 1,-0.3 4,-0.3 2,-0.1 299,-0.2 -0.290 139.1 3.4 55.6-119.7 -25.0 28.5 23.9 35 35 A I T 3> S+ 0 0 5 292,-1.8 4,-2.9 1,-0.2 5,-0.4 0.497 106.9 104.0 -75.9 -3.1 -22.7 28.0 26.9 36 36 A G H <> S+ 0 0 0 -3,-2.6 4,-3.2 1,-0.2 5,-0.3 0.901 77.6 46.6 -43.4 -59.0 -19.8 28.3 24.5 37 37 A P H > S+ 0 0 41 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.929 115.8 45.9 -51.3 -53.0 -18.8 31.9 25.6 38 38 A E H > S+ 0 0 46 -4,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.932 120.2 36.8 -58.8 -51.2 -19.0 31.1 29.3 39 39 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.896 116.5 52.3 -72.8 -38.2 -17.1 27.8 29.2 40 40 A T H X S+ 0 0 0 -4,-3.2 4,-2.1 -5,-0.4 -2,-0.2 0.894 109.8 47.8 -65.8 -41.2 -14.6 28.8 26.5 41 41 A N H X S+ 0 0 72 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.883 111.7 51.2 -67.1 -37.0 -13.5 32.0 28.3 42 42 A A H X S+ 0 0 9 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.873 108.6 52.0 -66.2 -37.7 -13.2 30.1 31.6 43 43 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.929 109.3 49.3 -63.6 -45.6 -11.0 27.5 29.8 44 44 A I H X S+ 0 0 19 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.913 110.3 52.1 -59.2 -43.0 -8.8 30.3 28.5 45 45 A K H X S+ 0 0 102 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.886 114.0 41.6 -62.4 -41.5 -8.5 31.7 32.0 46 46 A V H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.849 112.6 54.4 -75.8 -35.0 -7.4 28.4 33.5 47 47 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.901 108.2 49.7 -64.9 -40.4 -5.1 27.6 30.6 48 48 A N H X S+ 0 0 59 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.822 110.0 50.6 -67.6 -32.3 -3.3 30.9 31.1 49 49 A K H X S+ 0 0 33 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.855 111.1 49.4 -73.5 -34.4 -2.9 30.3 34.8 50 50 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.941 112.9 45.8 -68.0 -47.8 -1.5 26.8 34.1 51 51 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.913 116.3 46.0 -60.1 -46.3 1.0 28.2 31.5 52 52 A E H X S+ 0 0 109 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.942 113.2 48.0 -62.9 -50.3 2.1 31.0 33.8 53 53 A R H < S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 117.9 43.0 -60.9 -34.9 2.4 28.9 36.9 54 54 A A H < S+ 0 0 31 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.825 134.1 15.4 -81.8 -33.6 4.5 26.3 34.9 55 55 A Y H >< S- 0 0 22 -4,-2.4 3,-2.1 1,-0.3 4,-0.4 0.083 87.5-142.5-130.3 22.8 6.7 28.7 33.0 56 56 A G T 3< S- 0 0 42 -4,-1.8 -1,-0.3 1,-0.3 3,-0.2 -0.284 73.1 -33.8 51.7-120.3 6.3 32.0 34.8 57 57 A S T 3 S+ 0 0 104 1,-0.1 -1,-0.3 -3,-0.1 -5,-0.1 0.375 114.7 99.4-112.6 1.8 6.4 34.6 32.0 58 58 A S S < S+ 0 0 73 -3,-2.1 2,-0.3 -6,-0.2 -2,-0.1 0.576 92.2 29.4 -66.7 -8.5 8.8 32.8 29.7 59 59 A R + 0 0 63 -4,-0.4 2,-0.3 -3,-0.2 -35,-0.2 -0.983 65.3 169.2-147.6 154.9 5.8 31.5 27.6 60 60 A E - 0 0 82 -37,-3.0 2,-0.5 -2,-0.3 -12,-0.1 -0.916 32.7-121.3-168.2 139.4 2.4 32.8 26.9 61 61 A I - 0 0 5 -2,-0.3 2,-1.3 -37,-0.2 -35,-0.2 -0.749 19.6-146.9 -87.5 124.9 -0.4 32.0 24.5 62 62 A K E -c 26 0C 28 -37,-3.7 -35,-1.7 -2,-0.5 2,-0.1 -0.759 23.4-151.6 -94.9 91.8 -1.3 34.9 22.3 63 63 A W E -c 27 0C 45 -2,-1.3 2,-0.5 -37,-0.2 -35,-0.2 -0.395 14.8-171.5 -66.8 134.5 -5.1 34.2 21.9 64 64 A L E -c 28 0C 10 -37,-2.2 -35,-1.6 -2,-0.1 2,-0.3 -0.961 13.5-146.1-130.0 112.5 -6.8 35.4 18.8 65 65 A E E -c 29 0C 43 -2,-0.5 2,-0.3 -37,-0.2 -35,-0.2 -0.618 18.3-175.8 -79.7 135.9 -10.6 35.1 18.7 66 66 A V - 0 0 1 -37,-1.9 2,-0.4 -2,-0.3 -35,-0.3 -0.900 24.9-111.5-125.0 156.7 -12.2 34.3 15.3 67 67 A Y + 0 0 36 -2,-0.3 2,-0.3 -37,-0.1 17,-0.1 -0.766 43.4 147.7 -98.9 135.6 -15.9 34.2 14.5 68 68 A A > + 0 0 2 -2,-0.4 3,-0.6 12,-0.1 -36,-0.3 -0.978 48.5 16.1-154.6 151.2 -17.8 31.1 13.6 69 69 A G T 3> S- 0 0 2 10,-2.7 4,-1.8 -2,-0.3 5,-0.1 -0.536 118.7 -21.1 87.6-150.7 -21.4 30.0 14.1 70 70 A E H 3> S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.754 134.5 59.3 -72.0 -24.1 -24.3 32.3 15.1 71 71 A K H <> S+ 0 0 59 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.899 108.2 47.9 -69.5 -36.2 -22.0 35.0 16.4 72 72 A A H > S+ 0 0 0 -4,-0.3 4,-2.6 7,-0.2 6,-1.4 0.898 108.9 52.5 -68.2 -41.7 -20.5 35.0 13.0 73 73 A E H X S+ 0 0 76 -4,-1.8 4,-0.9 4,-0.3 -1,-0.2 0.870 113.6 46.1 -60.7 -36.3 -23.9 35.2 11.4 74 74 A K H < S+ 0 0 157 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.904 119.2 36.0 -76.1 -43.3 -24.7 38.2 13.6 75 75 A L H < S+ 0 0 92 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.854 139.4 8.5 -82.6 -35.0 -21.5 40.2 13.2 76 76 A V H < S- 0 0 46 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.172 95.7-113.2-133.6 21.7 -20.7 39.6 9.5 77 77 A N S < S+ 0 0 137 -4,-0.9 2,-0.4 -5,-0.3 -4,-0.3 0.721 84.9 105.0 54.9 25.5 -23.7 37.7 8.1 78 78 A D - 0 0 76 -6,-1.4 -2,-0.2 1,-0.1 -3,-0.1 -0.961 61.0-153.2-142.4 123.7 -21.7 34.6 7.6 79 79 A R S S+ 0 0 67 -2,-0.4 -10,-2.7 1,-0.3 -7,-0.2 0.822 104.2 18.6 -58.1 -35.6 -21.7 31.3 9.6 80 80 A F S S- 0 0 28 -12,-0.2 -1,-0.3 -8,-0.1 5,-0.1 -0.501 95.4-154.6-138.4 65.4 -18.1 30.6 8.6 81 81 A P > - 0 0 1 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.188 22.6-119.0 -41.7 155.2 -16.7 34.0 7.3 82 82 A K H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.881 113.2 56.8 -65.2 -42.3 -13.9 34.3 4.8 83 83 A E H > S+ 0 0 52 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.836 106.6 51.0 -60.5 -33.1 -11.7 36.2 7.4 84 84 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 106.6 52.2 -72.7 -39.0 -12.0 33.3 9.7 85 85 A Q H X S+ 0 0 71 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.886 109.4 51.8 -63.9 -37.8 -11.0 30.7 7.1 86 86 A E H X S+ 0 0 80 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.850 109.2 48.1 -68.7 -35.0 -7.9 32.8 6.4 87 87 A M H X>S+ 0 0 11 -4,-1.4 4,-2.9 2,-0.2 5,-0.5 0.860 112.6 50.4 -73.0 -34.1 -6.9 32.9 10.1 88 88 A L H X5S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.917 109.5 49.1 -68.6 -44.1 -7.4 29.2 10.3 89 89 A L H <5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.757 118.6 42.7 -67.5 -21.3 -5.3 28.5 7.2 90 90 A K H <5S+ 0 0 82 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.899 126.7 24.3 -91.1 -48.2 -2.6 30.7 8.7 91 91 A Y H <5S- 0 0 15 -4,-2.9 -79,-0.5 -5,-0.1 -3,-0.2 0.771 79.2-166.5 -90.5 -28.7 -2.5 29.8 12.4 92 92 A R << + 0 0 41 -4,-1.7 227,-2.2 -5,-0.5 2,-0.4 0.433 54.9 91.4 59.9 3.6 -3.8 26.3 12.1 93 93 A V E + e 0 319C 0 225,-0.2 -65,-2.2 -67,-0.1 2,-0.4 -0.989 50.0 168.2-131.0 124.8 -4.5 25.7 15.8 94 94 A V E -de 28 320C 0 225,-2.3 227,-2.5 -2,-0.4 2,-0.7 -0.995 32.2-149.5-143.1 144.8 -7.8 26.4 17.4 95 95 A L E -de 29 321C 0 -67,-2.1 -65,-2.5 -2,-0.4 2,-0.5 -0.944 33.0-170.0-105.9 111.3 -9.8 25.9 20.7 96 96 A K E -d 30 0C 0 225,-2.6 227,-0.4 -2,-0.7 -65,-0.2 -0.914 15.3-144.4-119.7 127.3 -13.5 25.7 19.7 97 97 A G - 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