==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JAN-08 3C0D . COMPND 2 MOLECULE: PUTATIVE NITRITE REDUCTASE NADPH (SMALL SUBUNIT) . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS RIMD 2210633; . AUTHOR A.P.KUZIN,M.ABASHIDZE,J.SEETHARAMAN,S.M.VOROBIEV,D.WANG, . 852 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 338 39.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 25 2.9 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 . 99 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 20 15 16 9 12 9 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 . 4 7 14 3 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 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 4 A L 0 0 199 0, 0.0 106,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -21.4 38.2 65.0 38.6 2 5 A T - 0 0 52 105,-0.2 104,-2.9 104,-0.2 2,-0.4 -0.416 360.0-148.8 -76.6 146.0 37.4 61.9 40.7 3 6 A K E -A 105 0A 91 102,-0.2 2,-0.5 -2,-0.1 102,-0.2 -0.915 1.8-152.7-116.7 139.6 37.1 58.4 39.3 4 7 A V E -A 104 0A 58 100,-2.4 100,-1.5 -2,-0.4 -2,-0.0 -0.942 29.4-109.5-114.9 123.9 35.0 55.5 40.5 5 8 A K E +A 103 0A 166 -2,-0.5 98,-0.2 98,-0.2 3,-0.1 -0.239 43.8 166.9 -49.5 128.5 35.9 51.8 39.9 6 9 A L E - 0 0 38 96,-2.9 2,-0.3 1,-0.4 97,-0.2 0.762 52.9 -41.1-110.9 -59.4 33.4 50.5 37.4 7 10 A C E -A 102 0A 22 95,-1.5 95,-3.1 13,-0.0 -1,-0.4 -0.969 59.2 -84.2-163.7 174.0 34.8 47.1 36.1 8 11 A Q E > -A 101 0A 63 -2,-0.3 3,-2.3 93,-0.2 4,-0.4 -0.708 37.0-124.2 -88.3 139.2 37.9 45.2 35.1 9 12 A L G > S+ 0 0 25 91,-3.0 3,-2.1 -2,-0.3 -1,-0.1 0.866 110.8 59.2 -52.5 -39.8 39.0 45.6 31.5 10 13 A D G 3 S+ 0 0 124 1,-0.3 -1,-0.3 90,-0.3 3,-0.0 0.332 90.0 71.1 -76.6 15.0 38.9 41.8 30.9 11 14 A D G < S+ 0 0 109 -3,-2.3 2,-0.6 1,-0.1 -1,-0.3 0.532 92.2 75.4 -94.7 -14.9 35.2 41.9 31.8 12 15 A L S < S- 0 0 10 -3,-2.1 5,-0.1 -4,-0.4 -1,-0.1 -0.883 74.5-149.6-105.5 119.5 34.9 43.6 28.5 13 16 A X > - 0 0 94 -2,-0.6 3,-1.9 3,-0.4 18,-0.6 -0.607 41.1 -89.7 -81.9 143.4 35.1 41.7 25.2 14 17 A P B 3 S-c 31 0B 35 0, 0.0 18,-0.2 0, 0.0 -1,-0.1 -0.318 105.7 -6.2 -58.2 126.3 36.5 43.7 22.3 15 18 A F T 3 S+ 0 0 11 16,-2.8 2,-0.5 1,-0.1 42,-0.5 0.568 108.4 115.9 66.6 10.7 33.8 45.6 20.3 16 19 A I < - 0 0 29 -3,-1.9 -3,-0.4 15,-0.2 15,-0.3 -0.939 66.9-120.3-120.2 117.5 31.1 43.9 22.3 17 20 A G - 0 0 10 36,-0.6 2,-0.4 -2,-0.5 13,-0.2 -0.207 23.7-169.6 -57.4 131.9 28.8 45.9 24.6 18 21 A A E -D 29 0B 27 11,-2.0 11,-3.1 -5,-0.0 2,-0.2 -0.989 18.5-135.0-120.8 126.1 28.6 45.1 28.3 19 22 A T E +D 28 0B 75 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.544 32.1 161.7 -83.5 152.1 25.9 46.8 30.4 20 23 A V E -D 27 0B 30 7,-2.1 7,-2.7 -2,-0.2 2,-0.4 -0.920 34.6-112.8-154.8 171.0 26.7 48.3 33.7 21 24 A L E -D 26 0B 113 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.948 19.2-169.3-118.5 132.9 25.0 50.8 36.0 22 25 A I E > S-D 25 0B 4 3,-1.9 3,-2.3 -2,-0.4 -16,-0.0 -0.955 77.7 -36.8-123.0 108.9 26.3 54.3 36.7 23 26 A E T 3 S- 0 0 168 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.875 124.5 -44.0 42.7 50.4 24.5 55.9 39.6 24 27 A G T 3 S+ 0 0 54 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.122 111.5 112.6 90.4 -22.6 21.2 54.4 38.5 25 28 A E E < S-D 22 0B 82 -3,-2.3 -3,-1.9 1,-0.1 2,-0.5 -0.659 72.1-111.8 -90.8 143.7 21.3 54.9 34.7 26 29 A R E -D 21 0B 82 -2,-0.3 16,-2.0 -5,-0.2 17,-0.5 -0.608 42.4-174.6 -73.2 118.8 21.6 52.1 32.2 27 30 A V E -DE 20 41B 0 -7,-2.7 -7,-2.1 -2,-0.5 2,-0.5 -0.895 19.7-149.8-121.4 146.6 25.0 52.3 30.5 28 31 A A E -DE 19 40B 0 12,-3.4 12,-1.9 -2,-0.3 2,-0.4 -0.957 13.8-154.3-114.1 121.5 26.6 50.3 27.7 29 32 A L E -DE 18 39B 0 -11,-3.1 -11,-2.0 -2,-0.5 2,-0.4 -0.804 9.0-171.9 -97.7 137.4 30.4 49.9 27.8 30 33 A F E - E 0 38B 0 8,-2.6 8,-2.7 -2,-0.4 2,-0.7 -0.933 9.7-154.8-132.7 109.3 32.3 49.3 24.5 31 34 A Y E -cE 14 37B 52 -18,-0.6 -16,-2.8 -2,-0.4 6,-0.2 -0.739 9.7-172.8 -87.1 115.3 36.0 48.4 24.6 32 35 A I E >> - E 0 36B 0 4,-3.3 4,-3.8 -2,-0.7 3,-0.9 -0.922 17.4-147.0-109.6 107.6 37.8 49.4 21.4 33 36 A P T 34 S+ 0 0 38 0, 0.0 -1,-0.2 0, 0.0 196,-0.1 0.845 98.1 39.5 -37.5 -55.5 41.4 48.1 21.5 34 37 A D T 34 S+ 0 0 140 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.804 128.7 32.4 -70.0 -27.9 42.9 51.0 19.5 35 38 A S T <4 S- 0 0 69 -3,-0.9 2,-0.4 1,-0.3 -1,-0.2 0.763 98.1-125.7-101.8 -33.5 40.8 53.7 21.3 36 39 A G E < -E 32 0B 24 -4,-3.8 -4,-3.3 60,-0.0 2,-0.4 -0.956 55.3 -26.6 121.3-139.4 40.1 52.6 24.9 37 40 A V E -E 31 0B 14 -2,-0.4 2,-0.4 58,-0.2 58,-0.2 -0.965 50.2-166.5-125.1 128.5 36.6 52.4 26.4 38 41 A Y E -E 30 0B 58 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.4 -0.902 4.5-159.1-112.3 139.3 33.4 54.2 25.4 39 42 A A E +EF 29 93B 3 54,-0.6 54,-1.1 -2,-0.4 2,-0.3 -0.947 16.5 165.3-117.8 135.5 30.2 54.4 27.5 40 43 A V E -EF 28 92B 0 -12,-1.9 -12,-3.4 -2,-0.4 52,-0.2 -0.957 47.9 -80.5-142.5 158.2 26.7 55.3 26.1 41 44 A Q E -E 27 0B 38 50,-1.8 -14,-0.3 -2,-0.3 11,-0.0 -0.380 33.2-147.0 -60.5 138.3 23.2 55.0 27.4 42 45 A D S S+ 0 0 6 -16,-2.0 10,-2.7 -22,-0.1 9,-1.9 0.767 73.8 93.4 -78.9 -27.0 22.0 51.5 26.9 43 46 A W E S-G 50 0C 94 -17,-0.5 7,-0.2 7,-0.3 -2,-0.1 -0.542 76.9-134.8 -71.8 125.3 18.4 52.6 26.3 44 47 A D E >> -G 49 0C 0 5,-2.1 4,-1.7 -2,-0.3 5,-0.5 -0.733 8.4-156.6 -82.1 110.7 17.7 53.0 22.6 45 48 A P T 45S+ 0 0 18 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.706 90.6 46.1 -60.7 -21.5 15.8 56.4 22.2 46 49 A I T 45S+ 0 0 36 3,-0.1 25,-0.5 1,-0.1 27,-0.2 -0.880 121.6 27.7-123.2 94.4 14.3 55.1 18.9 47 50 A G T 45S- 0 0 23 -2,-0.5 -1,-0.1 -3,-0.1 -4,-0.0 -0.017 100.3-126.4 142.3 -30.1 13.1 51.6 19.6 48 51 A K T <5 + 0 0 130 -4,-1.7 2,-0.3 1,-0.1 -5,-0.1 0.947 66.3 97.1 56.7 66.8 12.4 52.0 23.2 49 52 A A E + 0 0 24 -9,-1.9 3,-1.8 -2,-1.0 -1,-0.2 0.380 25.0 105.5-153.2 -0.3 19.4 47.1 23.9 52 55 A X G > S+ 0 0 0 -10,-2.7 3,-1.5 1,-0.3 -35,-0.2 0.775 76.0 66.2 -61.7 -25.0 22.4 49.2 22.9 53 56 A S G 3 S+ 0 0 16 1,-0.3 -36,-0.6 -11,-0.2 -1,-0.3 0.788 100.1 53.6 -67.5 -19.9 24.8 46.7 24.4 54 57 A R G < S+ 0 0 157 -3,-1.8 -1,-0.3 -12,-0.2 -2,-0.2 0.413 84.7 114.2 -94.3 2.7 23.6 44.3 21.8 55 58 A G S < S- 0 0 8 -3,-1.5 -38,-0.4 -4,-0.2 2,-0.3 -0.490 72.4-108.1 -80.1 145.4 24.3 46.6 18.8 56 59 A I E -H 67 0D 80 11,-0.6 11,-2.4 -2,-0.2 2,-0.3 -0.529 30.3-140.7 -72.8 126.8 26.9 45.8 16.1 57 60 A V E +H 66 0D 2 -42,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.642 35.8 145.6 -86.7 143.2 30.0 48.0 16.3 58 61 A G E -H 65 0D 15 7,-2.1 7,-1.6 -2,-0.3 2,-0.4 -0.977 45.6 -92.7-165.8 169.3 31.5 49.2 13.0 59 62 A D E -H 64 0D 98 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.765 27.8-174.0 -98.9 139.6 33.3 52.1 11.3 60 63 A I S S- 0 0 47 3,-0.9 -2,-0.0 2,-0.5 0, 0.0 -0.973 78.6 -27.1-133.5 117.1 31.6 54.8 9.4 61 64 A N S S- 0 0 133 -2,-0.5 2,-0.9 1,-0.2 -1,-0.1 0.879 124.0 -59.2 42.2 46.6 33.8 57.3 7.6 62 65 A G S S+ 0 0 50 1,-0.0 -2,-0.5 0, 0.0 -1,-0.2 -0.783 120.8 82.3 96.0-104.2 36.4 56.5 10.3 63 66 A E S S- 0 0 84 -2,-0.9 -3,-0.9 -4,-0.2 2,-0.2 -0.101 81.7-125.8 -39.8 121.2 35.1 57.3 13.8 64 67 A X E -H 59 0D 43 -5,-0.2 13,-1.5 12,-0.1 14,-0.4 -0.503 28.4-175.1 -88.9 151.6 33.0 54.2 14.8 65 68 A C E -HI 58 76D 1 -7,-1.6 -7,-2.1 11,-0.3 2,-0.5 -0.739 24.6-113.0-128.9 172.5 29.5 53.9 16.0 66 69 A V E -HI 57 75D 0 9,-2.8 9,-2.3 -2,-0.2 2,-0.5 -0.949 23.2-137.7-115.5 129.1 27.1 51.2 17.2 67 70 A A E -HI 56 74D 12 -11,-2.4 -11,-0.6 -2,-0.5 7,-0.2 -0.720 25.8-116.8 -85.6 124.1 24.0 50.2 15.2 68 71 A S > - 0 0 0 5,-3.0 4,-0.6 -2,-0.5 -16,-0.1 -0.359 18.5-134.5 -57.9 137.4 20.8 49.8 17.3 69 72 A P T 4 S+ 0 0 44 0, 0.0 -1,-0.2 0, 0.0 -17,-0.1 0.440 95.6 49.4 -75.4 3.0 19.8 46.1 17.1 70 73 A L T 4 S+ 0 0 72 -24,-0.2 -23,-0.1 3,-0.1 -3,-0.0 0.774 128.2 5.0-102.8 -85.8 16.2 47.2 16.5 71 74 A Y T 4 S- 0 0 118 -25,-0.5 -3,-0.1 2,-0.0 -24,-0.1 0.104 96.2-123.3 -91.8 23.8 15.6 49.9 13.8 72 75 A K < + 0 0 129 -4,-0.6 -1,-0.0 1,-0.1 0, 0.0 0.458 51.1 160.1 50.2 12.2 19.3 49.8 12.9 73 76 A Q - 0 0 29 -27,-0.2 -5,-3.0 -6,-0.1 2,-0.5 -0.271 38.3-122.7 -61.5 149.8 20.1 53.5 13.4 74 77 A H E -I 67 0D 57 -7,-0.2 9,-3.1 -9,-0.0 2,-0.5 -0.818 24.3-168.0 -99.6 130.3 23.8 54.3 13.9 75 78 A F E -IJ 66 82D 0 -9,-2.3 -9,-2.8 -2,-0.5 7,-0.2 -0.964 23.6-122.1-121.6 122.5 25.1 56.0 17.0 76 79 A S E > -I 65 0D 2 5,-2.8 4,-1.4 -2,-0.5 -11,-0.3 -0.400 12.6-148.3 -60.3 122.9 28.6 57.5 17.4 77 80 A L T 4 S+ 0 0 5 -13,-1.5 -38,-0.2 -2,-0.2 -1,-0.1 0.758 94.7 47.0 -64.1 -25.4 30.4 55.9 20.4 78 81 A K T 4 S+ 0 0 144 -14,-0.4 -1,-0.2 -40,-0.1 -39,-0.1 0.963 131.5 11.2 -81.3 -57.1 32.3 59.2 21.0 79 82 A S T 4 S- 0 0 65 2,-0.1 -2,-0.2 13,-0.0 13,-0.1 0.812 90.2-129.2 -92.5 -34.9 29.7 61.9 20.8 80 83 A G < + 0 0 0 -4,-1.4 10,-2.1 1,-0.3 -3,-0.1 0.222 53.6 150.1 103.2 -13.3 26.5 59.8 20.9 81 84 A Q B -K 89 0E 64 8,-0.3 -5,-2.8 -6,-0.2 2,-0.4 -0.194 47.5-125.7 -54.5 138.8 25.0 61.5 17.8 82 85 A C B -J 75 0D 1 6,-2.4 3,-0.5 3,-0.3 -7,-0.3 -0.751 12.8-149.6 -87.0 136.3 22.7 59.4 15.7 83 86 A L S S+ 0 0 70 -9,-3.1 3,-0.2 -2,-0.4 -1,-0.1 0.781 90.9 42.7 -78.9 -26.8 23.9 59.4 12.1 84 87 A E S S+ 0 0 100 -10,-0.4 -1,-0.2 1,-0.2 2,-0.1 0.189 121.5 34.0-106.4 18.4 20.5 59.0 10.4 85 88 A D > - 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