==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JUN-12 4FGC . COMPND 2 MOLECULE: NADPH-DEPENDENT 7-CYANO-7-DEAZAGUANINE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS SUBSP. SUBTILIS; . AUTHOR B.STEC,M.A.SWAIRJO . 718 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 183 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 45 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 0 0 0 0 0 5 0 4 0 0 1 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 0 PARALLEL BRIDGES PER LADDER . 4 0 5 0 6 3 1 5 4 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 . 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 21 A Y 0 0 202 0, 0.0 2,-0.4 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 140.1 5.2 70.4 14.2 2 22 A L + 0 0 119 1,-0.1 68,-0.2 4,-0.1 4,-0.1 -0.717 360.0 177.1 -85.8 125.9 7.8 71.6 16.7 3 23 A F + 0 0 73 -2,-0.4 68,-1.4 66,-0.1 2,-0.6 0.161 57.9 95.6-113.4 12.5 11.4 71.4 15.5 4 24 A E S S- 0 0 116 66,-0.1 65,-0.2 1,-0.1 64,-0.1 -0.925 99.3 -87.1 -98.7 124.2 12.6 73.0 18.8 5 25 A Y + 0 0 76 -2,-0.6 -2,-0.1 63,-0.2 64,-0.1 0.057 56.6 175.9 -19.8 118.7 13.8 70.6 21.5 6 26 A A > + 0 0 15 59,-0.3 3,-1.6 -4,-0.1 4,-0.3 -0.598 20.0 166.2-148.4 74.8 10.5 69.9 23.3 7 27 A P G > S+ 0 0 38 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.719 73.6 74.2 -67.1 -21.2 10.8 67.3 26.1 8 28 A D G 3 S+ 0 0 158 1,-0.2 57,-0.0 57,-0.1 -2,-0.0 0.576 81.8 71.1 -69.3 -8.3 7.3 68.3 27.4 9 29 A V G < S+ 0 0 40 -3,-1.6 -1,-0.2 52,-0.1 55,-0.1 0.749 74.1 107.7 -78.7 -24.5 5.8 66.5 24.4 10 30 A L < - 0 0 22 -3,-1.2 2,-0.3 -4,-0.3 52,-0.0 -0.182 49.1-174.8 -56.5 141.7 6.7 63.0 25.9 11 31 A E - 0 0 108 47,-0.3 47,-3.4 2,-0.0 2,-0.3 -0.999 7.3-163.9-145.2 140.4 3.8 61.0 27.2 12 32 A S E -A 57 0A 40 -2,-0.3 45,-0.3 45,-0.3 43,-0.0 -0.764 5.8-156.8-121.6 166.5 3.5 57.8 29.1 13 33 A F E -A 56 0A 30 43,-2.7 43,-2.8 -2,-0.3 2,-0.1 -0.938 38.5 -87.2-135.9 158.0 0.8 55.3 29.9 14 34 A P E -A 55 0A 98 0, 0.0 2,-0.5 0, 0.0 41,-0.3 -0.423 35.8-119.6 -73.6 149.5 0.8 52.8 32.8 15 35 A N - 0 0 11 39,-3.0 3,-0.2 1,-0.1 40,-0.0 -0.741 16.3-161.4 -82.5 120.3 2.3 49.4 32.6 16 36 A K S S+ 0 0 129 -2,-0.5 2,-0.2 1,-0.2 -1,-0.1 0.298 80.5 55.8 -84.2 9.6 -0.2 46.7 33.1 17 37 A H + 0 0 31 36,-0.1 3,-0.2 1,-0.1 -1,-0.2 -0.645 53.3 148.2-142.4 86.0 2.5 44.0 33.8 18 38 A V + 0 0 63 -2,-0.2 -1,-0.1 -3,-0.2 -2,-0.1 0.547 57.6 77.1-100.4 -3.9 4.8 44.9 36.7 19 39 A N S S+ 0 0 167 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.726 95.6 51.8 -77.8 -17.3 5.6 41.5 38.1 20 40 A R S S- 0 0 49 -3,-0.2 2,-0.5 33,-0.1 -3,-0.1 -0.798 78.0-122.3-123.6 159.6 8.0 40.6 35.3 21 41 A D + 0 0 33 -2,-0.3 234,-0.4 234,-0.1 2,-0.3 -0.871 40.7 160.8 -95.4 127.4 11.0 42.1 33.6 22 42 A Y - 0 0 1 -2,-0.5 2,-0.3 30,-0.2 232,-0.2 -0.987 30.4-127.5-146.2 147.8 10.5 42.5 29.8 23 43 A F E -B 253 0B 2 230,-1.6 230,-2.0 -2,-0.3 2,-0.4 -0.646 14.6-168.3 -94.9 155.1 12.2 44.6 27.1 24 44 A V E -BC 252 50B 0 26,-1.2 26,-1.8 -2,-0.3 2,-0.4 -0.961 9.5-161.2-144.5 121.5 10.7 46.9 24.7 25 45 A K E -BC 251 49B 2 226,-0.8 226,-2.5 -2,-0.4 2,-0.6 -0.888 8.0-158.9-109.9 136.4 12.7 48.3 21.8 26 46 A F E -BC 250 48B 0 22,-3.3 22,-2.1 -2,-0.4 2,-0.6 -0.946 9.1-155.2-111.0 114.8 12.0 51.3 19.7 27 47 A N E +BC 249 47B 1 222,-2.7 222,-1.8 -2,-0.6 20,-0.2 -0.791 15.9 178.5 -86.6 121.5 13.8 51.4 16.3 28 48 A C E > + C 0 46B 3 18,-1.8 18,-3.1 -2,-0.6 3,-0.6 -0.693 14.0 160.6-127.7 81.4 14.1 55.0 15.1 29 49 A P E 3 + 0 0 25 0, 0.0 -1,-0.1 0, 0.0 219,-0.1 0.391 66.3 66.8 -83.4 4.9 15.9 55.2 11.8 30 50 A E E 3 + 0 0 100 217,-0.4 2,-0.3 16,-0.1 15,-0.2 -0.037 65.5 136.8-112.9 27.0 14.7 58.8 10.8 31 51 A F E < + C 0 44B 6 13,-1.3 13,-2.2 -3,-0.6 2,-0.3 -0.592 22.0 161.5 -78.1 137.1 16.5 60.8 13.5 32 52 A T E + C 0 43B 21 34,-0.3 2,-0.2 -2,-0.3 11,-0.2 -0.984 4.4 156.6-154.1 144.2 18.2 64.0 12.4 33 53 A S E - C 0 42B 2 9,-1.5 9,-1.9 -2,-0.3 2,-0.4 -0.834 45.8 -79.5-151.4-175.7 19.4 67.1 14.1 34 54 A L E -dC 73 41B 48 38,-2.3 40,-1.0 35,-0.6 6,-0.1 -0.832 50.6-111.0-101.3 139.3 21.9 70.0 13.6 35 55 A A - 0 0 15 5,-2.6 40,-0.1 -2,-0.4 4,-0.1 -0.113 28.6-104.2 -72.9 167.0 25.5 69.3 14.3 36 56 A P S S+ 0 0 51 0, 0.0 39,-0.2 0, 0.0 -1,-0.1 0.730 103.0 0.1 -68.8 -26.2 27.4 70.9 17.2 37 57 A K S S+ 0 0 189 3,-0.1 36,-0.0 37,-0.1 38,-0.0 0.653 124.1 50.2-124.1 -73.6 29.4 73.5 15.2 38 58 A T S S- 0 0 106 1,-0.2 -4,-0.0 2,-0.0 0, 0.0 0.841 89.3-128.3 -46.8 -46.5 28.9 73.8 11.5 39 59 A G + 0 0 41 1,-0.4 -1,-0.2 -4,-0.1 34,-0.0 0.360 63.5 139.4 103.4 -0.4 25.1 73.9 11.6 40 60 A Q - 0 0 79 -6,-0.1 -5,-2.6 1,-0.1 -1,-0.4 -0.523 58.0-105.7 -73.9 142.6 25.1 71.0 9.0 41 61 A P E -C 34 0B 61 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.266 32.6-165.0 -70.3 157.6 22.6 68.3 9.6 42 62 A D E -C 33 0B 22 -9,-1.9 -9,-1.5 -7,-0.0 2,-0.3 -0.912 5.4-151.5-135.3 159.4 23.6 64.8 10.9 43 63 A F E +C 32 0B 99 -2,-0.3 60,-2.2 60,-0.2 2,-0.3 -0.988 16.8 163.5-139.1 148.7 21.5 61.6 10.8 44 64 A A E -CE 31 102B 4 -13,-2.2 -13,-1.3 -2,-0.3 2,-0.5 -0.967 36.3-122.6-158.4 163.7 21.2 58.4 12.8 45 65 A T E - E 0 101B 26 56,-1.1 56,-2.6 -2,-0.3 2,-0.6 -0.961 34.5-151.1-107.9 127.8 19.2 55.4 13.6 46 66 A I E -CE 28 100B 0 -18,-3.1 -18,-1.8 -2,-0.5 2,-0.7 -0.912 6.7-159.7-111.7 121.5 18.5 55.4 17.2 47 67 A Y E -CE 27 99B 5 52,-3.4 52,-2.6 -2,-0.6 2,-0.5 -0.894 10.5-174.2-102.6 116.2 17.9 52.1 19.0 48 68 A I E +CE 26 98B 2 -22,-2.1 -22,-3.3 -2,-0.7 2,-0.4 -0.953 6.5 172.7-112.4 116.3 16.0 52.5 22.4 49 69 A S E +CE 25 97B 4 48,-1.9 48,-1.7 -2,-0.5 2,-0.3 -0.977 7.3 163.3-125.2 137.4 15.6 49.4 24.6 50 70 A Y E -CE 24 96B 0 -26,-1.8 -26,-1.2 -2,-0.4 46,-0.2 -0.999 37.7-135.6-156.3 150.4 14.2 49.4 28.1 51 71 A I E - E 0 95B 1 44,-1.9 43,-1.8 -2,-0.3 44,-1.2 -0.913 38.4-139.7 -98.1 114.9 12.7 47.3 30.9 52 72 A P - 0 0 0 0, 0.0 -30,-0.2 0, 0.0 4,-0.1 -0.280 20.3-172.5 -76.3 169.0 9.7 49.2 32.1 53 73 A D S S- 0 0 21 2,-0.6 -36,-0.1 38,-0.2 -33,-0.1 0.477 75.3 -33.3-115.1 -84.5 8.8 49.5 35.8 54 74 A E S S+ 0 0 125 37,-0.4 -39,-3.0 38,-0.3 2,-0.3 0.603 123.8 58.1-115.8 -19.7 5.4 51.1 36.2 55 75 A K E -A 14 0A 94 36,-0.6 -2,-0.6 -41,-0.3 2,-0.4 -0.889 58.1-164.9-119.1 146.9 5.3 53.6 33.3 56 76 A M E -A 13 0A 0 -43,-2.8 -43,-2.7 -2,-0.3 2,-0.3 -0.976 24.1-115.4-133.7 142.9 5.7 53.2 29.5 57 77 A V E -A 12 0A 1 -2,-0.4 2,-0.4 -45,-0.3 -45,-0.3 -0.591 25.9-126.7 -79.1 130.8 6.3 55.7 26.8 58 78 A E > - 0 0 26 -47,-3.4 4,-2.1 -2,-0.3 -47,-0.3 -0.659 19.1-134.4 -78.7 126.2 3.6 56.3 24.2 59 79 A S H > S+ 0 0 23 -2,-0.4 4,-2.5 1,-0.2 -1,-0.1 0.856 100.1 47.7 -49.4 -53.8 5.1 55.8 20.6 60 80 A K H > S+ 0 0 125 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.924 109.9 53.4 -57.7 -46.4 3.6 58.9 18.9 61 81 A S H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.941 111.1 48.1 -54.3 -42.8 4.7 61.1 21.8 62 82 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.901 107.4 55.4 -64.0 -42.6 8.1 59.7 21.2 63 83 A K H X S+ 0 0 43 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.928 112.1 42.6 -55.3 -49.1 8.0 60.3 17.5 64 84 A L H >X S+ 0 0 50 -4,-2.9 4,-2.3 2,-0.2 3,-0.5 0.968 110.1 57.3 -64.3 -47.0 7.3 64.0 18.1 65 85 A Y H 3< S+ 0 0 0 -4,-2.8 4,-0.3 -5,-0.3 -59,-0.3 0.931 108.4 46.4 -48.4 -55.7 9.9 64.2 20.8 66 86 A L H >< S+ 0 0 7 -4,-3.1 3,-1.3 1,-0.2 -34,-0.3 0.813 108.0 56.7 -58.9 -31.4 12.5 62.9 18.3 67 87 A F H X< S+ 0 0 53 -4,-1.6 3,-4.3 -3,-0.5 4,-0.2 0.967 91.0 71.1 -67.9 -42.0 11.4 65.3 15.6 68 88 A S T 3< S+ 0 0 1 -4,-2.3 3,-0.3 1,-0.3 -1,-0.3 0.642 87.4 66.9 -48.6 -14.4 11.9 68.3 17.8 69 89 A F T X S+ 0 0 0 -3,-1.3 3,-1.5 -4,-0.3 -35,-0.6 0.570 75.4 94.2 -82.4 -6.6 15.6 67.7 17.5 70 90 A R T < S+ 0 0 117 -3,-4.3 -1,-0.2 1,-0.3 -2,-0.1 0.885 96.7 24.9 -52.9 -51.6 15.4 68.6 13.8 71 91 A N T 3 S+ 0 0 83 -68,-1.4 2,-0.4 -3,-0.3 -1,-0.3 -0.012 102.6 111.1-109.7 35.5 16.4 72.3 14.1 72 92 A H < - 0 0 33 -3,-1.5 -38,-2.3 -68,-0.1 2,-0.5 -0.889 54.9-146.4-110.9 135.2 18.4 71.9 17.4 73 93 A G B +d 34 0B 55 -2,-0.4 2,-0.3 -40,-0.1 -38,-0.2 -0.918 39.9 119.4-111.7 115.9 22.1 72.2 17.9 74 94 A D - 0 0 43 -40,-1.0 -37,-0.1 -2,-0.5 -2,-0.1 -0.940 58.3 -88.9-165.5 152.2 24.2 70.1 20.4 75 95 A F > - 0 0 108 -2,-0.3 4,-1.9 -39,-0.2 -41,-0.0 0.104 42.2-106.1 -61.6 176.8 27.0 67.6 20.4 76 96 A H H > S+ 0 0 26 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.998 111.6 44.8 -71.8 -76.4 26.5 63.8 20.1 77 97 A E H > S+ 0 0 55 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.830 117.1 50.8 -38.1 -44.4 27.1 62.2 23.5 78 98 A D H > S+ 0 0 66 1,-0.2 4,-3.7 2,-0.2 -1,-0.3 0.972 106.5 54.6 -54.8 -54.9 25.0 65.0 24.9 79 99 A C H X S+ 0 0 2 -4,-1.9 4,-1.8 -3,-0.4 -2,-0.2 0.877 110.5 44.9 -50.6 -48.3 22.3 64.3 22.3 80 100 A M H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.967 115.9 45.2 -65.3 -49.4 22.0 60.6 23.3 81 101 A N H X S+ 0 0 44 -4,-2.5 4,-3.8 -5,-0.2 5,-0.3 0.906 106.6 60.2 -60.6 -40.7 22.0 61.3 27.1 82 102 A I H X S+ 0 0 30 -4,-3.7 4,-2.4 -5,-0.2 -1,-0.2 0.950 112.4 40.5 -46.3 -54.8 19.5 64.2 26.6 83 103 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.949 115.6 48.8 -57.3 -59.5 17.2 61.5 25.2 84 104 A M H X S+ 0 0 10 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.949 113.8 47.4 -49.8 -53.3 18.0 58.8 27.7 85 105 A N H X S+ 0 0 79 -4,-3.8 4,-3.1 2,-0.2 5,-0.2 0.861 110.2 49.7 -58.0 -44.0 17.6 61.2 30.6 86 106 A D H X S+ 0 0 26 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.907 112.0 51.0 -62.1 -39.9 14.2 62.6 29.5 87 107 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 5,-0.5 0.835 111.1 48.5 -64.5 -36.3 13.1 59.0 29.0 88 108 A I H X S+ 0 0 26 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.949 112.5 46.6 -68.6 -47.7 14.3 58.3 32.6 89 109 A E H < S+ 0 0 164 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.851 116.1 48.5 -64.2 -29.5 12.5 61.3 34.0 90 110 A L H < S+ 0 0 31 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.923 132.1 10.8 -74.7 -46.9 9.4 60.2 32.0 91 111 A M H < S- 0 0 3 -4,-2.4 -36,-0.6 -5,-0.1 -37,-0.4 0.678 75.5-148.3-107.4 -25.9 9.2 56.6 32.9 92 112 A D < - 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