==== 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 2RC5 . COMPND 2 MOLECULE: FERREDOXIN-NADP REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRA INTERROGANS; . AUTHOR A.S.NASCIMENTO,D.L.CATALANO-DUPUY,I.POLIKARPOV,E.A.CECCARELL . 1217 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 817 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 117 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 14.1 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 119 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.8 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 2 1 1 8 0 2 6 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 7 5 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 . 22 0 1 11 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 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 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 2 0, 0.0 96,-0.1 0, 0.0 97,-0.1 0.000 360.0 360.0 360.0-155.9 -10.2 31.3 3.5 2 8 A T - 0 0 77 57,-0.1 0, 0.0 3,-0.1 0, 0.0 0.693 360.0-110.0 -4.6 124.1 -9.7 34.8 2.3 3 9 A R S S+ 0 0 145 2,-0.1 56,-0.0 151,-0.0 151,-0.0 0.050 85.3 73.6 -45.1 168.0 -6.8 35.0 -0.2 4 10 A E S S- 0 0 160 1,-0.0 2,-0.1 2,-0.0 144,-0.0 0.835 86.6-110.0 76.0 101.4 -3.5 36.8 0.9 5 11 A P - 0 0 42 0, 0.0 2,-0.4 0, 0.0 53,-0.1 -0.380 31.2-163.9 -65.6 131.8 -1.6 34.7 3.4 6 12 A Q - 0 0 86 51,-0.4 2,-0.3 -2,-0.1 53,-0.2 -0.871 6.2-161.4-109.7 148.5 -1.4 35.8 7.0 7 13 A I + 0 0 64 -2,-0.4 139,-0.2 1,-0.1 137,-0.0 -0.948 61.6 13.3-128.3 152.7 1.1 34.4 9.4 8 14 A N + 0 0 93 137,-2.6 -1,-0.1 -2,-0.3 3,-0.1 0.788 65.8 142.5 57.5 36.1 1.4 34.3 13.2 9 15 A L S S+ 0 0 54 135,-0.6 2,-0.4 136,-0.2 -1,-0.1 0.825 78.1 32.7 -67.6 -33.1 -2.2 35.3 13.8 10 16 A F B S+A 144 0A 34 134,-2.4 134,-3.3 135,-0.1 2,-0.2 -0.977 74.1 169.6-127.5 137.0 -2.0 32.9 16.7 11 17 A K B > -B 14 0B 44 3,-0.6 3,-0.6 -2,-0.4 131,-0.1 -0.766 55.3 -84.3-133.1 176.7 1.1 32.1 18.7 12 18 A K T 3 S+ 0 0 130 -2,-0.2 55,-0.0 1,-0.2 130,-0.0 0.844 130.2 53.0 -56.2 -33.5 1.7 30.1 22.0 13 19 A S T 3 S+ 0 0 112 1,-0.3 -1,-0.2 -3,-0.0 -3,-0.0 0.773 126.3 22.0 -74.3 -29.6 0.8 33.3 23.9 14 20 A N B < S-B 11 0B 78 -3,-0.6 -3,-0.6 2,-0.0 -1,-0.3 -0.574 89.2-179.2-131.4 73.7 -2.5 33.7 22.1 15 21 A P - 0 0 45 0, 0.0 2,-0.5 0, 0.0 128,-0.2 -0.189 27.4-119.5 -73.3 165.3 -3.4 30.2 20.7 16 22 A Y E -C 142 0C 32 126,-3.2 126,-3.5 -6,-0.1 2,-0.7 -0.915 20.8-143.5-102.0 128.1 -6.4 29.3 18.6 17 23 A K E -C 141 0C 104 -2,-0.5 2,-0.4 124,-0.2 124,-0.2 -0.840 22.8-178.1 -93.7 115.4 -8.7 26.7 20.1 18 24 A A E -C 140 0C 1 122,-2.5 122,-3.3 -2,-0.7 2,-0.3 -0.930 19.4-134.6-114.2 139.7 -10.1 24.3 17.4 19 25 A K E -CD 139 50C 103 31,-0.9 31,-3.9 -2,-0.4 2,-0.4 -0.749 24.7-113.1 -93.7 141.4 -12.5 21.5 18.1 20 26 A V E + D 0 49C 8 118,-2.8 117,-2.9 -2,-0.3 29,-0.3 -0.562 32.2 174.6 -73.5 125.9 -12.0 18.0 16.5 21 27 A I E - 0 0 39 27,-3.3 2,-0.3 1,-0.4 28,-0.2 0.848 69.8 -15.3 -88.2 -53.8 -14.6 17.1 14.0 22 28 A S E - D 0 48C 14 26,-1.7 26,-3.1 113,-0.1 -1,-0.4 -0.981 44.2-172.1-152.5 156.5 -12.9 13.9 13.0 23 29 A N E + D 0 47C 10 516,-2.6 2,-0.4 -2,-0.3 24,-0.2 -0.762 24.1 176.0-151.3 93.7 -9.7 12.0 13.1 24 30 A V E - D 0 46C 37 22,-2.0 22,-2.6 -2,-0.2 2,-0.4 -0.897 33.3-117.9-113.3 138.3 -9.7 8.9 11.0 25 31 A L E - D 0 45C 53 -2,-0.4 20,-0.3 20,-0.2 4,-0.1 -0.583 26.0-175.0 -68.2 126.1 -6.9 6.4 10.3 26 32 A L + 0 0 51 18,-3.9 19,-0.2 -2,-0.4 -1,-0.1 0.689 64.1 58.6 -96.3 -27.6 -6.1 6.5 6.6 27 33 A T S S- 0 0 6 17,-1.0 176,-0.1 1,-0.2 3,-0.1 -0.602 102.4 -75.8-103.0 162.8 -3.5 3.7 6.6 28 34 A P - 0 0 40 0, 0.0 14,-0.2 0, 0.0 -1,-0.2 -0.208 56.2 -96.4 -60.0 151.0 -4.0 0.1 7.7 29 35 A E > - 0 0 92 1,-0.1 3,-1.8 -4,-0.1 14,-0.0 -0.279 60.1 -75.6 -60.7 152.2 -4.1 -0.7 11.4 30 36 A T T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.259 122.7 22.2 -62.6 137.2 -0.7 -1.8 12.8 31 37 A G T 3 S+ 0 0 74 1,-0.5 -1,-0.3 4,-0.2 2,-0.1 -0.120 112.2 87.9 93.7 -34.0 0.2 -5.4 11.9 32 38 A T S < S+ 0 0 85 -3,-1.8 -1,-0.5 4,-0.0 3,-0.2 -0.361 72.2 39.6 -81.7 171.4 -2.2 -5.1 9.0 33 39 A G S S- 0 0 37 1,-0.2 -6,-0.0 -3,-0.1 170,-0.0 -0.077 103.9 -58.8 77.8-179.1 -1.1 -3.9 5.6 34 40 A K S S+ 0 0 97 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.792 96.5 102.3 -74.5 -32.1 2.1 -4.4 3.7 35 41 A R - 0 0 36 -3,-0.2 -4,-0.2 7,-0.1 7,-0.1 -0.361 65.9-138.5 -63.5 120.5 4.7 -3.0 6.1 36 42 A P - 0 0 67 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.084 25.9 -87.6 -77.3-163.2 6.5 -5.8 7.9 37 43 A K S S+ 0 0 82 -6,-0.0 2,-0.2 4,-0.0 -6,-0.0 0.939 119.0 42.7 -93.9 -67.6 7.5 -6.2 11.4 38 44 A K S S+ 0 0 47 81,-0.1 81,-0.1 82,-0.0 78,-0.0 -0.359 99.1 74.4 -30.6 145.1 10.7 -4.6 11.6 39 45 A E S S- 0 0 58 -2,-0.2 3,-0.1 -4,-0.1 77,-0.1 0.615 96.0-122.1 75.1 111.5 9.8 -1.6 9.5 40 46 A G - 0 0 17 1,-0.2 2,-0.4 75,-0.2 76,-0.1 0.762 34.7 -55.4 -78.4-120.1 7.8 0.2 11.9 41 47 A E - 0 0 48 71,-0.1 2,-0.3 -11,-0.1 -1,-0.2 -0.890 30.0-158.9-113.6 149.8 4.4 1.4 11.8 42 48 A A + 0 0 11 -2,-0.4 2,-0.7 -14,-0.2 -7,-0.1 -0.706 23.6 164.2-125.6 87.0 2.8 3.6 9.4 43 49 A L + 0 0 12 69,-0.3 69,-2.9 -2,-0.3 2,-0.4 -0.854 9.0 176.2-107.3 99.6 -0.2 5.2 11.0 44 50 A V E - E 0 111C 8 -2,-0.7 -18,-3.9 67,-0.2 -17,-1.0 -0.910 7.3-166.5-113.7 129.2 -1.5 8.2 9.1 45 51 A H E -DE 25 110C 17 65,-2.3 65,-2.5 -2,-0.4 2,-0.7 -0.865 21.0-138.7-117.8 145.7 -4.6 10.2 10.1 46 52 A R E -DE 24 109C 65 -22,-2.6 -22,-2.0 -2,-0.3 2,-0.5 -0.929 27.4-162.7 -97.9 117.8 -6.8 12.7 8.5 47 53 A I E -DE 23 108C 0 61,-3.2 61,-2.0 -2,-0.7 2,-0.6 -0.915 7.3-168.8-107.1 123.1 -7.6 15.3 11.2 48 54 A V E -DE 22 107C 10 -26,-3.1 -27,-3.3 -2,-0.5 -26,-1.7 -0.954 8.2-173.6-112.6 119.6 -10.5 17.6 10.6 49 55 A L E -DE 20 106C 0 57,-3.0 57,-2.7 -2,-0.6 2,-0.5 -0.904 26.2-120.7-112.6 142.9 -10.8 20.5 13.0 50 56 A A E +DE 19 105C 38 -31,-3.9 -31,-0.9 -2,-0.4 2,-0.3 -0.710 41.7 173.7 -77.4 125.2 -13.6 23.0 13.2 51 57 A I - 0 0 10 53,-2.0 2,-0.8 -2,-0.5 -33,-0.1 -0.973 39.7-120.5-132.2 152.3 -12.3 26.5 12.8 52 58 A D >> - 0 0 86 -2,-0.3 4,-3.5 1,-0.1 3,-0.6 -0.858 23.7-155.1 -84.2 109.6 -13.7 30.0 12.4 53 59 A H T 34 S+ 0 0 7 -2,-0.8 -1,-0.1 50,-0.7 51,-0.1 0.666 93.7 58.3 -63.3 -19.4 -12.3 30.9 9.0 54 60 A S T 34 S+ 0 0 106 49,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.808 114.6 36.7 -76.4 -33.5 -12.6 34.6 10.0 55 61 A A T <4 S+ 0 0 29 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.1 0.873 129.9 33.3 -79.6 -43.4 -10.3 33.9 12.9 56 62 A Y < + 0 0 0 -4,-3.5 2,-2.1 2,-0.1 -1,-0.2 -0.650 69.9 172.9-116.9 73.7 -8.1 31.4 11.0 57 63 A P + 0 0 7 0, 0.0 -51,-0.4 0, 0.0 -4,-0.1 -0.400 21.3 174.8 -84.4 65.0 -8.1 32.7 7.4 58 64 A Y - 0 0 0 -2,-2.1 2,-0.4 38,-0.2 -51,-0.1 -0.239 24.8-141.5 -73.4 154.2 -5.5 30.2 6.2 59 65 A V > - 0 0 17 -53,-0.2 3,-1.9 4,-0.1 33,-0.2 -0.902 31.5-102.5-111.1 144.0 -4.3 29.7 2.6 60 66 A I T 3 S+ 0 0 0 -2,-0.4 92,-0.6 1,-0.2 3,-0.1 -0.491 111.8 45.5 -64.3 137.1 -3.6 26.2 1.2 61 67 A G T 3 S+ 0 0 7 1,-0.6 89,-0.3 31,-0.4 -1,-0.2 0.085 94.3 105.7 106.8 -18.9 0.2 25.8 1.2 62 68 A Q < - 0 0 1 -3,-1.9 30,-2.6 86,-0.1 -1,-0.6 -0.486 68.2-122.4 -86.4 162.6 0.5 27.2 4.7 63 69 A S E -FG 91 146C 6 83,-2.8 83,-2.0 28,-0.2 2,-0.4 -0.802 10.4-141.2-101.7 147.3 1.1 25.2 7.9 64 70 A G E -F 90 0C 0 26,-3.1 26,-2.6 -2,-0.3 2,-0.4 -0.881 20.7-137.9 -98.1 138.7 -1.0 25.0 10.9 65 71 A G E -FG 89 143C 0 78,-2.3 78,-2.8 -2,-0.4 2,-0.4 -0.823 15.2-163.8 -97.2 139.6 0.9 24.9 14.2 66 72 A V E -FG 88 142C 0 22,-2.8 22,-2.7 -2,-0.4 76,-0.2 -0.988 9.7-157.0-121.0 130.8 -0.2 22.6 17.0 67 73 A I E - G 0 141C 22 74,-2.6 74,-0.6 -2,-0.4 20,-0.1 -0.940 21.5-143.9 -99.5 112.4 1.0 23.0 20.6 68 74 A P - 0 0 2 0, 0.0 17,-0.5 0, 0.0 59,-0.1 -0.530 26.5-102.0 -76.3 145.9 0.6 19.5 22.1 69 75 A P S S+ 0 0 82 0, 0.0 2,-0.1 0, 0.0 61,-0.0 -0.209 74.1 40.7 -66.8 157.0 -0.5 19.6 25.8 70 76 A G S S- 0 0 54 2,-0.1 15,-0.9 15,-0.1 2,-0.4 -0.275 89.0 -54.2 106.6 172.5 1.8 19.0 28.7 71 77 A E B -H 84 0D 113 13,-0.2 13,-0.2 -2,-0.1 12,-0.1 -0.767 48.5-125.9 -87.4 135.6 5.2 19.9 30.0 72 78 A D >> - 0 0 13 11,-4.5 4,-2.2 -2,-0.4 3,-0.8 -0.774 13.7-148.3 -81.9 115.9 8.1 19.1 27.7 73 79 A P H 3> S+ 0 0 69 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.839 97.7 55.5 -54.7 -39.4 10.6 16.9 29.8 74 80 A E H 3> S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.852 111.0 45.3 -58.9 -37.6 13.6 18.3 27.9 75 81 A K H <4>S+ 0 0 17 -3,-0.8 5,-2.2 8,-0.2 4,-0.4 0.836 113.6 47.9 -77.9 -34.7 12.4 21.8 28.9 76 82 A K H <5S+ 0 0 108 -4,-2.2 3,-0.4 7,-0.2 -2,-0.2 0.889 114.1 48.2 -65.4 -42.0 11.7 20.9 32.5 77 83 A A H <5S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.820 113.1 46.7 -69.3 -33.7 15.1 19.2 32.6 78 84 A K T <5S- 0 0 140 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.526 110.8-127.6 -83.7 -7.8 16.8 22.3 31.1 79 85 A G T 5 + 0 0 63 -4,-0.4 -3,-0.2 -3,-0.4 -2,-0.1 0.962 50.1 158.3 62.1 59.5 14.9 24.5 33.5 80 86 A L < - 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