==== 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 19-SEP-07 2RC6 . COMPND 2 MOLECULE: FERREDOXIN-NADP REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRA INTERROGANS; . AUTHOR A.S.NASCIMENTO,D.L.CATALANO-DUPUY,E.A.CECCARELLI,I.POLIKARPO . 1224 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 812 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 4 0.3 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 . 100 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.7 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 4 0 8 0 4 4 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 4 8 4 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 . 20 0 4 8 0 4 4 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 4 0 4 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 7 A P 0 0 4 0, 0.0 96,-0.1 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0 179.1 -10.3 31.6 3.2 2 8 A T - 0 0 80 3,-0.0 0, 0.0 57,-0.0 0, 0.0 0.857 360.0-105.0 30.9 105.9 -9.9 35.1 1.7 3 9 A R S S+ 0 0 144 2,-0.1 56,-0.0 151,-0.0 151,-0.0 0.217 85.8 76.8 -47.4 175.6 -6.8 35.0 -0.5 4 10 A E S S- 0 0 162 2,-0.0 2,-0.1 1,-0.0 0, 0.0 0.815 83.5-107.6 73.7 105.9 -3.6 36.6 0.5 5 11 A P - 0 0 44 0, 0.0 2,-0.4 0, 0.0 53,-0.1 -0.320 29.7-165.0 -67.3 135.0 -1.7 34.6 3.2 6 12 A Q - 0 0 86 51,-0.4 2,-0.3 141,-0.1 3,-0.2 -0.956 9.4-158.5-117.0 143.5 -1.4 35.7 6.8 7 13 A I + 0 0 69 -2,-0.4 139,-0.2 1,-0.2 137,-0.0 -0.891 61.0 9.4-123.7 152.5 1.1 34.2 9.2 8 14 A N + 0 0 93 137,-3.2 -1,-0.2 -2,-0.3 3,-0.1 0.820 63.1 149.3 53.6 38.3 1.4 33.9 13.0 9 15 A L S S+ 0 0 58 135,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.674 77.0 34.9 -66.8 -17.5 -2.1 35.1 13.7 10 16 A F B S+A 144 0A 33 134,-1.0 134,-3.1 135,-0.2 -1,-0.2 -0.965 72.1 174.2-143.5 122.5 -1.8 32.8 16.7 11 17 A K > - 0 0 48 -2,-0.4 3,-1.3 132,-0.2 131,-0.1 -0.554 53.6 -84.2-114.6-177.0 1.4 32.0 18.7 12 18 A K T 3 S+ 0 0 141 1,-0.3 131,-0.0 -2,-0.2 55,-0.0 0.715 128.7 55.0 -64.0 -19.1 1.9 30.0 21.9 13 19 A S T 3 S+ 0 0 110 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.633 123.9 23.5 -89.1 -15.6 0.9 33.0 24.0 14 20 A N S < S+ 0 0 73 -3,-1.3 -1,-0.2 2,-0.0 -3,-0.2 -0.377 86.9 179.1-144.5 62.7 -2.4 33.4 22.2 15 21 A P - 0 0 42 0, 0.0 2,-0.5 0, 0.0 128,-0.2 0.006 27.1-121.1 -60.7 167.4 -3.3 29.9 20.7 16 22 A Y E -B 142 0B 38 126,-2.1 126,-2.3 -6,-0.1 2,-0.3 -0.973 22.0-141.0-114.1 123.6 -6.4 29.1 18.8 17 23 A K E -B 141 0B 98 -2,-0.5 2,-0.4 124,-0.2 124,-0.2 -0.660 21.6-178.5 -85.2 135.5 -8.7 26.4 20.1 18 24 A A E -B 140 0B 2 122,-1.7 122,-3.5 -2,-0.3 2,-0.3 -0.997 21.3-132.8-134.2 139.0 -10.3 24.0 17.7 19 25 A K E -BC 139 50B 114 31,-0.7 31,-2.7 -2,-0.4 2,-0.5 -0.705 28.1-115.2 -89.1 141.2 -12.7 21.1 18.3 20 26 A V E + C 0 49B 5 118,-2.7 117,-2.4 -2,-0.3 29,-0.2 -0.636 31.0 177.7 -78.4 123.5 -12.1 17.8 16.6 21 27 A I E - 0 0 48 27,-2.7 2,-0.3 -2,-0.5 28,-0.2 0.883 67.3 -7.0 -86.7 -49.9 -14.8 16.8 14.1 22 28 A S E - C 0 48B 15 26,-1.6 26,-2.9 113,-0.1 -1,-0.3 -0.996 45.3-176.1-150.2 152.3 -13.2 13.6 12.9 23 29 A N E + C 0 47B 13 520,-2.7 2,-0.4 -2,-0.3 24,-0.2 -0.676 23.0 171.7-149.1 87.8 -10.0 11.5 13.1 24 30 A V E - C 0 46B 40 22,-1.6 22,-2.7 -2,-0.2 2,-0.2 -0.814 33.0-118.5-108.7 141.0 -10.1 8.4 10.9 25 31 A L E - C 0 45B 52 -2,-0.4 20,-0.2 20,-0.2 4,-0.1 -0.543 22.3-173.7 -75.0 137.5 -7.3 5.9 10.1 26 32 A L + 0 0 53 18,-3.0 19,-0.2 -2,-0.2 -1,-0.1 0.547 63.7 60.0-110.2 -14.1 -6.4 5.7 6.4 27 33 A T S S- 0 0 8 17,-0.7 176,-0.1 1,-0.1 3,-0.1 -0.747 100.6 -76.1-113.4 162.8 -3.9 2.9 6.5 28 34 A P - 0 0 40 0, 0.0 14,-0.2 0, 0.0 3,-0.1 -0.255 56.2 -99.9 -58.2 142.8 -4.4 -0.8 7.6 29 35 A E > - 0 0 97 1,-0.2 3,-2.1 -4,-0.1 14,-0.0 -0.311 60.9 -72.5 -58.0 146.8 -4.6 -1.4 11.3 30 36 A T T 3 S+ 0 0 85 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.111 125.0 24.5 -45.4 131.8 -1.3 -2.7 12.7 31 37 A G T 3 S+ 0 0 76 1,-0.5 -1,-0.3 4,-0.3 6,-0.1 -0.236 107.5 86.2 102.1 -44.4 -0.8 -6.3 11.6 32 38 A T S < S+ 0 0 78 -3,-2.1 -1,-0.5 -2,-0.0 3,-0.1 -0.227 74.9 41.4 -71.0 174.5 -3.0 -6.0 8.6 33 39 A G S S- 0 0 38 1,-0.1 -6,-0.0 -3,-0.1 -2,-0.0 0.117 99.5 -67.3 74.3 174.5 -1.5 -4.7 5.3 34 40 A K S S+ 0 0 104 2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.821 93.1 101.5 -77.9 -36.6 1.8 -5.4 3.6 35 41 A R S S- 0 0 46 -3,-0.1 -4,-0.3 7,-0.1 7,-0.1 -0.345 70.0-136.3 -58.0 118.5 4.4 -3.8 5.9 36 42 A P > - 0 0 61 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.360 21.3-102.2 -78.2 157.0 5.9 -6.7 7.9 37 43 A K G > S+ 0 0 83 1,-0.3 3,-2.3 2,-0.2 -2,-0.0 0.873 117.9 59.8 -43.1 -55.3 6.6 -6.7 11.6 38 44 A K G 3 S+ 0 0 75 1,-0.3 81,-0.3 80,-0.0 -1,-0.3 0.622 101.5 57.3 -56.5 -13.2 10.4 -6.0 11.3 39 45 A E G < S- 0 0 68 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.079 104.1-133.9-106.3 22.9 9.6 -2.8 9.5 40 46 A G < - 0 0 7 -3,-2.3 -1,-0.3 76,-0.1 2,-0.3 -0.221 39.7 -46.6 64.8-149.0 7.5 -1.3 12.3 41 47 A E - 0 0 51 71,-0.1 2,-0.4 -3,-0.1 73,-0.2 -0.893 29.1-157.0-125.4 151.6 4.1 0.4 11.6 42 48 A A + 0 0 10 -2,-0.3 2,-0.8 -14,-0.2 -7,-0.1 -0.744 25.1 167.0-126.4 83.7 2.7 2.9 9.2 43 49 A L + 0 0 21 -2,-0.4 69,-2.1 69,-0.3 2,-0.5 -0.851 8.1 179.6-104.4 104.3 -0.4 4.4 10.8 44 50 A V E - D 0 111B 10 -2,-0.8 -18,-3.0 67,-0.2 -17,-0.7 -0.911 6.6-164.6-111.0 124.7 -1.6 7.5 9.0 45 51 A H E -CD 25 110B 16 65,-3.3 65,-1.9 -2,-0.5 2,-0.5 -0.791 16.3-141.9-107.5 147.1 -4.7 9.4 10.2 46 52 A R E -CD 24 109B 67 -22,-2.7 -22,-1.6 -2,-0.3 2,-0.5 -0.945 25.9-164.5-101.8 125.6 -6.8 12.1 8.5 47 53 A I E -CD 23 108B 0 61,-2.7 61,-2.4 -2,-0.5 2,-0.6 -0.944 9.5-166.7-121.7 125.8 -7.8 14.7 11.0 48 54 A V E -CD 22 107B 9 -26,-2.9 -27,-2.7 -2,-0.5 -26,-1.6 -0.931 6.5-171.5-116.7 115.7 -10.6 17.3 10.6 49 55 A L E -CD 20 106B 0 57,-3.3 57,-2.3 -2,-0.6 2,-0.5 -0.821 21.5-128.4-104.9 142.7 -10.8 20.2 12.9 50 56 A A E +CD 19 105B 35 -31,-2.7 -31,-0.7 -2,-0.4 2,-0.3 -0.773 40.3 164.4 -87.1 129.1 -13.7 22.7 13.1 51 57 A I - 0 0 16 53,-1.5 2,-0.9 -2,-0.5 -33,-0.1 -0.904 44.6-107.2-139.4 168.0 -12.6 26.3 12.9 52 58 A D >> - 0 0 83 -2,-0.3 4,-1.9 1,-0.1 3,-1.8 -0.862 22.7-159.4 -98.1 102.1 -13.8 29.9 12.3 53 59 A H T 34 S+ 0 0 8 -2,-0.9 -1,-0.1 50,-0.8 51,-0.1 0.683 91.6 63.6 -55.0 -17.3 -12.4 30.8 8.8 54 60 A S T 34 S+ 0 0 102 1,-0.2 -1,-0.3 49,-0.1 49,-0.0 0.851 111.5 33.2 -73.6 -35.3 -12.9 34.4 10.0 55 61 A A T <4 S+ 0 0 36 -3,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.643 128.7 36.9 -96.2 -18.6 -10.4 34.1 12.7 56 62 A Y < + 0 0 0 -4,-1.9 2,-2.1 2,-0.1 -1,-0.2 -0.559 69.2 178.0-134.9 68.8 -8.0 31.7 11.0 57 63 A P + 0 0 8 0, 0.0 -51,-0.4 0, 0.0 -4,-0.1 -0.455 18.8 176.1 -76.4 72.1 -8.0 32.7 7.3 58 64 A Y - 0 0 0 -2,-2.1 2,-0.4 38,-0.2 -51,-0.1 -0.279 22.8-142.1 -77.7 162.3 -5.5 30.1 6.1 59 65 A V > - 0 0 18 -53,-0.2 3,-1.6 4,-0.1 33,-0.1 -0.996 31.6-100.4-126.0 130.6 -4.4 29.5 2.5 60 66 A I T 3 S+ 0 0 1 -2,-0.4 92,-0.5 1,-0.3 3,-0.1 -0.145 110.9 44.6 -48.9 138.4 -3.7 26.1 1.1 61 67 A G T 3 S+ 0 0 10 31,-0.5 -1,-0.3 1,-0.5 89,-0.2 0.227 94.1 108.4 102.8 -11.0 0.0 25.4 1.0 62 68 A Q < - 0 0 2 -3,-1.6 30,-2.0 86,-0.1 -1,-0.5 -0.418 65.7-121.8 -89.9 170.8 0.4 26.8 4.5 63 69 A S E -EF 91 146B 12 83,-2.4 83,-2.7 28,-0.2 2,-0.3 -0.889 11.7-146.3-114.6 146.0 1.1 24.9 7.7 64 70 A G E -E 90 0B 0 26,-2.6 26,-2.5 -2,-0.4 2,-0.4 -0.820 17.0-138.2-103.0 151.3 -0.9 24.8 10.9 65 71 A G E -EF 89 143B 0 78,-2.3 78,-2.4 -2,-0.3 2,-0.4 -0.903 13.6-164.2-113.5 140.0 0.9 24.5 14.3 66 72 A V E -EF 88 142B 0 22,-2.7 22,-2.4 -2,-0.4 76,-0.2 -0.923 10.6-151.6-119.8 146.8 -0.1 22.3 17.2 67 73 A I - 0 0 30 74,-1.8 74,-0.4 -2,-0.4 20,-0.1 -0.930 20.7-139.6-117.6 107.2 0.9 22.4 20.8 68 74 A P - 0 0 3 0, 0.0 17,-0.4 0, 0.0 59,-0.1 -0.408 27.1-107.3 -66.6 134.6 0.8 18.9 22.5 69 75 A P S S+ 0 0 87 0, 0.0 2,-0.2 0, 0.0 61,-0.0 -0.308 77.2 41.9 -60.1 142.1 -0.6 19.0 26.1 70 76 A G S S- 0 0 52 -3,-0.1 15,-0.9 15,-0.1 2,-0.5 -0.624 87.8 -58.4 121.2-174.7 2.0 18.4 28.8 71 77 A E B -H 84 0C 109 -2,-0.2 13,-0.2 13,-0.2 12,-0.1 -0.950 44.4-121.5-116.3 124.2 5.5 19.3 30.0 72 78 A D >> - 0 0 20 11,-2.8 4,-2.2 -2,-0.5 3,-0.5 -0.486 18.2-149.9 -64.9 112.8 8.6 18.5 27.9 73 79 A P H 3> S+ 0 0 80 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.884 96.2 52.2 -50.6 -47.9 10.8 16.3 30.0 74 80 A E H 3> S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.863 110.2 49.3 -58.8 -37.5 14.0 17.6 28.4 75 81 A K H <4>S+ 0 0 23 -3,-0.5 5,-0.8 8,-0.2 4,-0.4 0.891 110.9 48.4 -71.0 -40.7 12.9 21.2 29.2 76 82 A K H <5S+ 0 0 117 -4,-2.2 3,-0.4 7,-0.2 -2,-0.2 0.903 111.5 50.7 -64.6 -41.7 12.1 20.4 32.8 77 83 A A H <5S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.883 113.7 43.8 -64.0 -40.4 15.4 18.7 33.2 78 84 A K T <5S- 0 0 136 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.552 113.2-131.6 -77.2 -7.9 17.2 21.7 31.7 79 85 A G T 5 + 0 0 57 -3,-0.4 -3,-0.2 -4,-0.4 -2,-0.1 0.977 44.1 162.9 52.6 84.2 14.8 23.8 33.9 80 86 A L < - 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0 0 0 0, 0.0 3,-3.3 0, 0.0 -1,-0.1 -0.297 44.3 -91.9 -68.8 157.2 -8.4 23.6 0.3 96 102 A S T 3 S+ 0 0 5 1,-0.3 -38,-0.2 79,-0.1 3,-0.1 0.824 127.0 28.3 -34.8 -60.1 -8.5 27.3 1.2 97 103 A Y T 3 S- 0 0 26 1,-0.3 6,-2.1 -96,-0.1 -1,-0.3 0.087 120.9-105.8 -95.8 24.5 -12.2 27.4 1.8 98 104 A S X - 0 0 0 -3,-3.3 3,-2.1 3,-0.2 -1,-0.3 0.206 56.6 -47.3 70.0 161.5 -12.6 23.8 2.8 99 105 A F G > S+ 0 0 41 1,-0.3 3,-1.0 2,-0.2 5,-0.2 -0.427 137.0 13.5 -60.0 135.4 -14.1 21.0 0.6 100 106 A G G 3 S- 0 0 55 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.610 119.3 -94.6 69.0 10.9 -17.3 22.3 -0.8 101 107 A M G < S+ 0 0 89 -3,-2.1 -1,-0.2 1,-0.1 -3,-0.2 0.818 81.6 144.5 49.5 38.1 -16.3 25.7 0.3 102 108 A K < - 0 0 146 -3,-1.0 -4,-0.2 1,-0.0 -1,-0.1 0.674 48.6-147.0 -74.5 -18.2 -18.2 25.4 3.5 103 109 A E + 0 0 92 -6,-2.1 -50,-0.8 1,-0.1 -5,-0.2 0.859 66.0 114.8 51.6 38.2 -15.5 27.3 5.3 104 110 A D + 0 0 62 -7,-0.2 -53,-1.5 -5,-0.2 2,-0.2 0.629 68.0 17.7-110.8 -19.8 -16.3 25.2 8.3 105 111 A N E -D 50 0B 23 -55,-0.3 2,-0.3 -6,-0.1 -55,-0.2 -0.784 50.7-139.5-144.3-178.6 -13.1 23.1 8.9 106 112 A I E -D 49 0B 0 -57,-2.3 -57,-3.3 -2,-0.2 2,-0.3 -0.974 24.2-151.8-148.8 143.2 -9.4 22.5 8.4 107 113 A E E -D 48 0B 7 -2,-0.3 -14,-2.6 -59,-0.2 -13,-0.7 -0.851 9.0-167.1-126.0 155.1 -7.7 19.1 7.8 108 114 A F E -DG 47 92B 0 -61,-2.4 -61,-2.7 -2,-0.3 2,-0.6 -0.961 17.7-145.5-135.1 153.1 -4.4 17.3 8.4 109 115 A I E +D 46 0B 9 -18,-0.6 2,-0.4 -2,-0.3 -63,-0.2 -0.878 35.5 175.3-117.9 96.6 -2.7 14.1 7.2 110 116 A I E -D 45 0B 1 -65,-1.9 -65,-3.3 -2,-0.6 2,-0.4 -0.835 18.3-159.7-114.5 138.7 -0.6 12.9 10.2 111 117 A K E -D 44 0B 77 -2,-0.4 2,-0.4 -67,-0.3 -67,-0.2 -0.935 32.8-106.4-116.4 137.3 1.4 9.8 10.7 112 118 A R - 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