==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-OCT-00 1G1M . COMPND 2 MOLECULE: NITROGENASE IRON PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; . AUTHOR P.STROP,P.M.TAKAHARA,H.-J.CHIU,H.C.ANGOVE,B.K.BURGESS, . 576 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.7 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 . 2 0.3 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 . 61 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.8 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 7 1 0 1 2 0 2 0 2 0 5 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 0 4 2 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 . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 A 0 0 141 0, 0.0 119,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.4 -18.6 -13.5 -8.4 2 2 A M - 0 0 61 1,-0.1 2,-0.5 117,-0.1 119,-0.2 -0.151 360.0-139.7 -50.8 134.4 -14.9 -13.4 -7.8 3 3 A R E -a 121 0A 49 117,-2.3 119,-2.0 142,-0.0 2,-0.9 -0.898 5.2-147.7-104.5 131.0 -13.9 -13.9 -4.1 4 4 A Q E +a 122 0A 29 -2,-0.5 142,-1.9 117,-0.2 141,-1.1 -0.837 31.4 168.1 -98.8 104.6 -11.1 -11.7 -2.8 5 5 A C E -ab 123 146A 0 117,-3.1 119,-1.9 -2,-0.9 2,-0.3 -0.716 20.2-165.9-117.5 166.3 -9.2 -13.7 -0.2 6 6 A A E -ab 124 147A 0 140,-1.9 142,-2.3 117,-0.3 2,-0.6 -0.994 14.4-144.6-148.5 143.6 -6.0 -13.5 1.8 7 7 A I E -ab 125 148A 0 117,-2.7 119,-2.2 -2,-0.3 2,-0.3 -0.960 25.6-174.0-109.5 123.0 -4.0 -15.9 3.9 8 8 A Y E +ab 126 149A 0 140,-2.3 142,-3.3 -2,-0.6 2,-0.2 -0.867 21.0 116.2-117.0 150.7 -2.3 -14.2 6.9 9 9 A G E -a 127 0A 0 117,-0.9 119,-2.6 -2,-0.3 120,-0.1 -0.857 57.5 -74.2 166.4 164.3 0.1 -15.6 9.5 10 10 A K > - 0 0 41 140,-0.5 3,-0.5 -2,-0.2 5,-0.3 -0.233 52.8 -96.5 -76.2 168.5 3.6 -15.4 10.9 11 11 A G T 3 S+ 0 0 30 1,-0.2 -1,-0.1 2,-0.1 31,-0.1 -0.230 96.2 40.1 -76.8 168.7 6.7 -16.6 9.1 12 12 A G T 3 S+ 0 0 83 1,-0.1 -1,-0.2 -2,-0.0 -2,-0.0 0.559 88.8 88.3 73.6 11.7 8.4 -20.0 9.7 13 13 A I S < S- 0 0 28 -3,-0.5 -1,-0.1 137,-0.0 -2,-0.1 0.147 104.6 -95.6-125.9 19.9 5.4 -22.2 10.0 14 14 A G S > S+ 0 0 32 3,-0.1 4,-2.7 136,-0.0 5,-0.3 0.681 71.7 145.1 79.0 18.8 4.7 -23.2 6.4 15 15 A K H > S+ 0 0 7 -5,-0.3 4,-2.9 1,-0.2 5,-0.2 0.945 73.9 45.4 -54.3 -54.2 2.1 -20.6 5.5 16 16 A S H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.861 111.1 54.1 -63.5 -33.0 3.2 -20.2 1.9 17 17 A T H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.960 112.1 43.1 -65.6 -46.9 3.4 -23.9 1.4 18 18 A T H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.933 112.9 54.6 -63.8 -39.6 -0.2 -24.4 2.6 19 19 A T H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 5,-0.2 0.955 111.5 42.5 -59.4 -50.3 -1.3 -21.4 0.6 20 20 A Q H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.840 114.9 50.1 -66.3 -33.4 0.1 -22.8 -2.7 21 21 A N H X S+ 0 0 2 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.944 110.9 49.6 -69.7 -44.0 -1.1 -26.3 -2.1 22 22 A L H X S+ 0 0 1 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.900 112.3 47.3 -58.9 -45.0 -4.6 -25.0 -1.3 23 23 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.869 109.4 55.4 -66.9 -33.7 -4.6 -22.9 -4.5 24 24 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.951 106.3 50.3 -61.4 -47.9 -3.3 -26.0 -6.3 25 25 A A H X S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.811 109.4 51.5 -60.1 -32.1 -6.3 -28.0 -5.0 26 26 A L H <>S+ 0 0 0 -4,-1.5 5,-2.3 2,-0.2 3,-0.3 0.901 108.7 49.8 -73.7 -40.9 -8.7 -25.3 -6.2 27 27 A A H ><5S+ 0 0 12 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.905 107.0 54.8 -63.8 -40.4 -7.2 -25.2 -9.7 28 28 A E H 3<5S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.801 105.1 56.4 -61.0 -28.4 -7.5 -29.0 -9.9 29 29 A M T 3<5S- 0 0 82 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.382 128.9 -96.8 -84.5 2.0 -11.2 -28.4 -9.0 30 30 A G T < 5S+ 0 0 56 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.366 78.0 140.2 99.9 -6.7 -11.7 -26.2 -12.0 31 31 A K < - 0 0 58 -5,-2.3 2,-0.8 -6,-0.1 -1,-0.3 -0.559 49.9-136.5 -76.6 133.5 -11.3 -22.8 -10.2 32 32 A K - 0 0 91 -2,-0.3 88,-2.0 51,-0.1 89,-1.6 -0.815 37.5-178.9 -88.7 112.9 -9.4 -20.1 -12.0 33 33 A V E -c 121 0A 1 -2,-0.8 51,-2.5 87,-0.2 2,-0.4 -0.862 22.3-161.2-120.7 151.3 -7.1 -18.6 -9.3 34 34 A M E -cd 122 84A 0 87,-1.6 89,-2.7 -2,-0.3 2,-0.5 -0.995 7.8-154.0-131.2 136.3 -4.5 -15.9 -8.9 35 35 A I E -cd 123 85A 0 49,-3.1 51,-3.3 -2,-0.4 2,-0.6 -0.920 6.2-171.5-110.8 129.6 -1.9 -15.5 -6.2 36 36 A V E -cd 124 86A 0 87,-2.8 89,-2.1 -2,-0.5 2,-0.3 -0.963 19.3-146.0-119.1 108.0 -0.5 -12.1 -5.2 37 37 A G E +cd 125 87A 0 49,-3.2 51,-2.5 -2,-0.6 52,-0.3 -0.614 26.9 168.1 -78.7 132.5 2.4 -12.6 -2.8 38 38 A C E +c 126 0A 9 87,-3.5 89,-1.1 -2,-0.3 -1,-0.1 -0.214 41.3 109.5-135.2 37.0 2.8 -9.9 -0.2 39 39 A D > - 0 0 10 3,-0.3 3,-0.9 87,-0.2 51,-0.2 -0.980 53.4-156.7-118.7 120.0 5.3 -11.5 2.1 40 40 A P T 3 S+ 0 0 24 0, 0.0 50,-0.2 0, 0.0 -1,-0.1 0.852 91.3 37.1 -63.3 -37.5 8.9 -10.0 2.1 41 41 A K T 3 S+ 0 0 28 1,-0.1 2,-0.3 2,-0.0 406,-0.0 -0.091 109.3 60.1-109.8 36.3 10.6 -13.2 3.4 42 42 A A S < S- 0 0 32 -3,-0.9 2,-0.6 -31,-0.1 -3,-0.3 -0.861 73.4-127.4-161.3 125.5 8.7 -16.1 1.7 43 43 A D - 0 0 62 -2,-0.3 4,-0.2 1,-0.2 44,-0.0 -0.614 24.1-177.1 -73.5 118.5 8.2 -17.0 -1.9 44 44 A S S S+ 0 0 0 -2,-0.6 -1,-0.2 -5,-0.2 42,-0.1 0.451 77.4 37.4 -97.1 3.3 4.5 -17.4 -2.3 45 45 A T S >> S+ 0 0 1 2,-0.1 4,-2.1 40,-0.1 3,-0.8 0.467 84.5 95.0-126.2 -8.4 4.4 -18.5 -6.0 46 46 A R H 3>>S+ 0 0 46 1,-0.3 4,-1.6 2,-0.2 5,-0.7 0.815 84.5 52.4 -58.3 -32.6 7.5 -20.7 -6.4 47 47 A L H 345S+ 0 0 0 -4,-0.2 179,-0.6 1,-0.2 -1,-0.3 0.794 112.6 47.6 -76.1 -22.5 5.6 -24.0 -5.9 48 48 A I H <45S+ 0 0 1 -3,-0.8 32,-2.2 177,-0.2 -2,-0.2 0.843 122.0 32.5 -84.7 -32.4 3.1 -23.0 -8.6 49 49 A L H <5S- 0 0 22 -4,-2.1 -2,-0.2 30,-0.2 -3,-0.2 0.557 96.9-127.7-101.5 -8.7 5.7 -21.9 -11.2 50 50 A H T <5 + 0 0 49 -4,-1.6 2,-0.3 174,-0.3 -3,-0.2 0.812 68.2 127.8 64.9 29.6 8.6 -24.3 -10.4 51 51 A S < - 0 0 25 -5,-0.7 -1,-0.2 -6,-0.2 3,-0.2 -0.845 66.0-131.6-118.0 156.9 10.9 -21.3 -10.2 52 52 A K S S- 0 0 90 -2,-0.3 2,-0.3 1,-0.3 -6,-0.1 0.845 91.7 -3.8 -72.3 -34.4 13.4 -20.2 -7.4 53 53 A A - 0 0 65 -7,-0.1 2,-0.4 -8,-0.1 -1,-0.3 -0.872 67.3-137.4-164.5 125.9 12.2 -16.6 -7.4 54 54 A Q - 0 0 12 -2,-0.3 -8,-0.1 -3,-0.2 -9,-0.0 -0.715 36.7-102.4 -89.3 130.1 9.6 -14.8 -9.4 55 55 A N - 0 0 81 -2,-0.4 32,-0.4 1,-0.1 2,-0.1 -0.269 44.5-134.4 -50.6 123.1 10.5 -11.2 -10.6 56 56 A T > - 0 0 24 1,-0.1 4,-1.2 30,-0.1 32,-0.2 -0.478 13.4-118.8 -84.2 156.5 8.6 -8.9 -8.3 57 57 A I T 4 S+ 0 0 2 30,-2.7 3,-0.3 2,-0.2 4,-0.2 0.896 114.5 52.0 -57.8 -41.6 6.5 -5.8 -9.3 58 58 A M T >> S+ 0 0 82 30,-1.9 4,-2.0 29,-0.3 3,-1.9 0.984 112.5 39.4 -60.2 -64.5 8.9 -3.7 -7.3 59 59 A E T 34 S+ 0 0 93 1,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.568 110.8 60.8 -64.4 -9.8 12.2 -4.9 -8.7 60 60 A M T 3X S+ 0 0 34 -4,-1.2 4,-0.6 -3,-0.3 -1,-0.3 0.380 111.5 39.5 -97.3 2.4 10.8 -5.0 -12.2 61 61 A A H <> S+ 0 0 12 -3,-1.9 4,-0.7 -4,-0.2 -2,-0.2 0.616 103.1 64.5-116.2 -33.9 10.1 -1.3 -12.0 62 62 A A H < S+ 0 0 87 -4,-2.0 -3,-0.1 2,-0.2 -2,-0.1 0.766 112.3 45.9 -59.7 -22.5 13.3 -0.3 -10.2 63 63 A E H 4 S+ 0 0 142 -5,-0.3 2,-0.7 -4,-0.2 -2,-0.2 0.923 115.9 36.2 -77.5 -88.3 14.6 -1.5 -13.5 64 64 A A H < S- 0 0 57 -4,-0.6 2,-0.8 1,-0.2 -2,-0.2 0.260 117.3-103.4 -54.7 12.0 12.4 0.0 -16.2 65 65 A G S < S- 0 0 48 -4,-0.7 2,-0.3 -2,-0.7 -1,-0.2 -0.340 82.4 -10.1 97.1 -57.6 12.1 3.2 -14.2 66 66 A T S > S- 0 0 89 -2,-0.8 3,-2.6 -6,-0.2 -4,-0.1 -0.895 76.7 -83.0-177.9 149.6 8.6 2.9 -12.7 67 67 A V G > S+ 0 0 37 1,-0.3 3,-0.7 -2,-0.3 -1,-0.1 0.610 115.4 60.8 -23.0 -49.7 5.3 1.0 -12.8 68 68 A E G 3 S+ 0 0 174 1,-0.3 2,-1.3 -3,-0.0 -1,-0.3 0.886 99.4 58.8 -55.8 -38.0 3.6 2.8 -15.8 69 69 A D G < S+ 0 0 74 -3,-2.6 2,-0.4 -5,-0.1 -1,-0.3 -0.265 91.7 107.8 -85.3 49.8 6.5 1.5 -18.0 70 70 A L < - 0 0 9 -2,-1.3 2,-0.5 -3,-0.7 3,-0.1 -0.990 61.2-141.4-134.1 137.1 5.6 -2.1 -17.0 71 71 A E >> - 0 0 122 -2,-0.4 3,-2.0 1,-0.2 4,-0.6 -0.820 13.5-139.3 -99.1 131.5 3.9 -4.9 -18.9 72 72 A L H >> S+ 0 0 43 -2,-0.5 3,-3.4 1,-0.3 4,-2.6 0.946 102.6 64.0 -46.3 -56.2 1.4 -7.2 -17.2 73 73 A E H 34 S+ 0 0 147 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.654 99.8 53.1 -42.6 -25.6 3.0 -10.1 -19.0 74 74 A D H <4 S+ 0 0 74 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.595 118.0 33.9 -91.8 -10.3 6.3 -9.6 -17.2 75 75 A V H << S+ 0 0 1 -3,-3.4 2,-0.6 -4,-0.6 12,-0.4 0.737 109.5 63.2-112.4 -34.9 4.7 -9.6 -13.8 76 76 A L < + 0 0 29 -4,-2.6 2,-0.3 -5,-0.2 10,-0.2 -0.847 63.1 176.0 -99.6 120.3 1.9 -12.1 -14.0 77 77 A K E -E 85 0A 90 8,-2.2 8,-3.9 -2,-0.6 2,-0.4 -0.900 19.6-141.2-120.1 151.6 3.0 -15.7 -14.8 78 78 A A E +E 84 0A 58 -2,-0.3 6,-0.2 6,-0.3 2,-0.2 -0.893 29.0 156.5-114.2 145.2 0.8 -18.8 -15.0 79 79 A G > + 0 0 24 4,-2.2 3,-1.9 -2,-0.4 4,-0.3 -0.402 47.4 17.5-137.5-143.4 1.9 -22.2 -13.8 80 80 A Y G > S- 0 0 49 -32,-2.2 3,-2.0 1,-0.3 -1,-0.4 0.045 129.4 -6.9 -38.7 128.8 0.3 -25.4 -12.6 81 81 A G G 3 S- 0 0 56 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.709 124.1 -64.8 56.9 25.4 -3.3 -25.7 -13.6 82 82 A G G < S+ 0 0 43 -3,-1.9 -1,-0.3 1,-0.3 2,-0.3 0.575 85.2 158.7 77.1 6.7 -3.5 -22.2 -15.1 83 83 A V < - 0 0 0 -3,-2.0 -4,-2.2 -4,-0.3 2,-0.4 -0.503 34.6-139.1 -67.0 127.3 -3.0 -20.5 -11.7 84 84 A K E -dE 34 78A 56 -51,-2.5 -49,-3.1 -2,-0.3 2,-0.4 -0.740 18.1-158.4 -90.9 137.9 -1.8 -17.0 -12.2 85 85 A C E +dE 35 77A 0 -8,-3.9 -8,-2.2 -2,-0.4 2,-0.4 -0.953 15.0 176.7-126.5 136.2 1.0 -15.7 -10.0 86 86 A V E -d 36 0A 0 -51,-3.3 -49,-3.2 -2,-0.4 2,-0.6 -0.992 14.6-154.5-133.2 137.4 2.2 -12.2 -9.0 87 87 A E E -d 37 0A 10 -32,-0.4 -30,-2.7 -12,-0.4 -29,-0.3 -0.948 1.9-160.9-115.7 118.0 4.9 -11.2 -6.5 88 88 A S - 0 0 7 -51,-2.5 -30,-1.9 -2,-0.6 -1,-0.2 0.968 35.4-125.1 -58.2 -56.7 4.5 -7.7 -4.9 89 89 A G - 0 0 12 -52,-0.3 3,-0.1 -32,-0.2 16,-0.1 0.385 20.3-103.8 107.3 116.9 8.1 -7.4 -3.8 90 90 A G - 0 0 30 -50,-0.2 2,-0.1 -51,-0.2 7,-0.1 0.001 52.8 -71.5 -61.2 174.6 9.0 -6.6 -0.2 91 91 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 328,-0.1 -0.401 51.4-100.3 -71.4 144.4 10.2 -3.1 1.0 92 92 A E >> - 0 0 99 1,-0.1 3,-2.7 -3,-0.1 4,-2.5 -0.545 56.5 -98.1 -64.1 118.5 13.6 -1.7 -0.0 93 93 A P T 34 S+ 0 0 28 0, 0.0 327,-0.2 0, 0.0 -1,-0.1 -0.091 105.3 9.4 -42.8 128.8 15.6 -2.4 3.2 94 94 A G T 34 S+ 0 0 0 325,-3.1 326,-0.2 326,-0.1 334,-0.1 0.222 136.5 40.7 81.9 -13.0 15.9 0.7 5.3 95 95 A V T <4 S+ 0 0 31 -3,-2.7 -1,-0.1 324,-0.3 325,-0.1 0.714 85.2 82.7-133.4 -42.8 13.3 2.7 3.3 96 96 A G < - 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