==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-MAY-04 1VYS . COMPND 2 MOLECULE: PENTAERYTHRITOL TETRANITRATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR T.BARNA,P.C.E.MOODY . 363 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 20 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 1 1 0 2 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 2 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 PARALLEL BRIDGES PER LADDER . 2 0 1 0 1 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 . 3 0 0 0 0 0 0 0 1 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 X S 0 0 148 0, 0.0 336,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.4 39.9 4.9 48.5 2 2 X A + 0 0 106 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.933 360.0 139.4 -41.2-101.2 36.5 4.8 50.4 3 3 X E - 0 0 56 1,-0.1 3,-0.0 2,-0.0 306,-0.0 0.948 53.1-164.2 84.0 121.5 34.2 4.0 47.5 4 4 X K S > S+ 0 0 111 1,-0.1 3,-1.8 2,-0.1 15,-0.1 0.547 76.6 88.7-110.7 -11.9 31.2 1.9 46.3 5 5 X L T 3 S+ 0 0 1 1,-0.3 14,-3.3 13,-0.1 15,-0.3 0.717 89.4 49.4 -57.0 -24.6 31.8 2.3 42.5 6 6 X F T 3 S+ 0 0 33 12,-0.2 -1,-0.3 13,-0.1 -2,-0.1 0.016 90.0 100.8-110.7 25.3 34.0 -0.8 42.4 7 7 X T S < S- 0 0 48 -3,-1.8 9,-0.1 1,-0.1 -3,-0.0 -0.881 78.1 -96.3-109.0 149.9 31.8 -3.1 44.3 8 8 X P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 11,-0.1 -0.075 34.0-167.4 -64.1 155.9 29.5 -5.8 42.7 9 9 X L E -A 16 0A 19 7,-2.5 7,-2.9 9,-0.2 2,-0.5 -0.967 21.4-129.2-148.0 127.2 25.9 -5.4 41.9 10 10 X K E -A 15 0A 153 -2,-0.3 2,-0.6 5,-0.2 5,-0.3 -0.687 23.9-171.8 -80.0 124.0 23.3 -8.0 40.9 11 11 X V E > -A 14 0A 2 3,-3.2 3,-2.1 -2,-0.5 256,-0.1 -0.888 54.3 -73.8-120.1 95.4 21.5 -6.7 37.8 12 12 X G T 3 S- 0 0 24 -2,-0.6 217,-0.2 254,-0.5 -1,-0.1 -0.315 118.4 -1.9 47.9-119.9 18.6 -9.1 37.1 13 13 X A T 3 S+ 0 0 39 215,-2.5 2,-0.3 163,-0.2 -1,-0.3 0.541 130.6 56.4 -77.7 -12.5 20.1 -12.4 35.8 14 14 X V E < S-A 11 0A 23 -3,-2.1 -3,-3.2 214,-0.3 2,-0.5 -0.795 71.7-132.5-118.8 169.6 23.7 -11.2 35.8 15 15 X T E -A 10 0A 86 -2,-0.3 -5,-0.2 -5,-0.3 -2,-0.0 -0.962 13.7-152.5-122.5 116.0 26.2 -9.8 38.3 16 16 X A E -A 9 0A 1 -7,-2.9 -7,-2.5 -2,-0.5 36,-0.1 -0.757 10.3-145.5 -82.7 139.7 28.3 -6.7 37.4 17 17 X P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.534 81.6 13.1 -80.1 -5.5 31.6 -6.6 39.2 18 18 X N S S- 0 0 12 -9,-0.1 -12,-0.2 2,-0.1 -9,-0.2 -0.923 73.0-117.6-158.2 176.4 31.5 -2.8 39.5 19 19 X R S S+ 0 0 33 -14,-3.3 301,-2.5 -2,-0.3 2,-0.8 0.196 76.8 108.3-111.6 16.3 29.0 0.1 39.0 20 20 X V E -b 320 0B 0 -15,-0.3 32,-2.2 299,-0.2 33,-0.5 -0.851 52.0-176.2 -99.4 100.6 30.7 1.9 36.2 21 21 X F E -bc 321 53B 2 299,-3.3 301,-2.7 -2,-0.8 2,-0.6 -0.705 27.5-121.4-104.9 155.4 28.5 1.1 33.2 22 22 X M E -bc 322 54B 1 31,-2.6 33,-2.2 -2,-0.3 301,-0.2 -0.854 32.0-133.8 -98.9 118.1 28.9 2.1 29.5 23 23 X A - 0 0 6 299,-2.4 2,-0.3 -2,-0.6 32,-0.1 -0.242 32.5 -87.8 -66.2 155.8 26.0 4.1 28.3 24 24 X P - 0 0 14 0, 0.0 2,-0.5 0, 0.0 33,-0.2 -0.531 51.7-171.6 -67.5 126.4 24.3 3.3 25.0 25 25 X L - 0 0 27 30,-0.4 2,-0.3 -2,-0.3 32,-0.3 -0.936 19.7-145.8-133.7 107.6 26.2 5.2 22.3 26 26 X T + 0 0 33 -2,-0.5 45,-0.1 1,-0.2 33,-0.1 -0.574 26.6 166.1 -64.1 124.8 25.1 5.5 18.7 27 27 X R - 0 0 2 -2,-0.3 325,-2.7 43,-0.2 -1,-0.2 0.476 35.2-137.8-125.3 -11.6 28.4 5.6 16.6 28 28 X L + 0 0 1 323,-0.2 325,-0.3 1,-0.1 43,-0.2 0.829 61.2 124.8 62.3 42.8 27.0 4.9 13.0 29 29 X R + 0 0 14 41,-0.4 12,-0.1 323,-0.2 42,-0.1 0.269 32.3 123.6-117.6 12.4 29.7 2.5 11.8 30 30 X S - 0 0 2 40,-2.3 2,-0.3 1,-0.1 5,-0.1 -0.272 67.2 -98.1 -69.2 156.0 27.5 -0.4 10.7 31 31 X I B >> -K 36 0C 70 5,-2.9 5,-1.8 3,-0.1 4,-0.7 -0.561 39.5-128.8 -73.1 137.3 27.7 -1.9 7.2 32 32 X E T 45S+ 0 0 64 -2,-0.3 2,-0.1 3,-0.2 37,-0.0 -0.982 85.8 52.6-122.1 141.3 25.2 -0.8 4.6 33 33 X P T 45S+ 0 0 121 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.467 127.2 19.3 -75.2 155.0 23.5 -2.5 2.9 34 34 X G T 45S- 0 0 35 1,-0.1 39,-0.2 -2,-0.1 -2,-0.2 0.216 97.5-111.5 113.5 -11.8 22.1 -4.7 5.7 35 35 X D T <5 + 0 0 18 -4,-0.7 38,-2.0 1,-0.2 -3,-0.2 0.932 60.0 175.5 52.3 51.8 22.7 -2.5 8.8 36 36 X I B < -K 31 0C 29 -5,-1.8 -5,-2.9 36,-0.2 -1,-0.2 -0.782 33.4-123.4-103.6 125.8 25.2 -5.1 9.9 37 37 X P - 0 0 6 0, 0.0 -7,-0.1 0, 0.0 -1,-0.0 -0.303 35.2-142.8 -56.8 151.3 27.5 -5.0 12.9 38 38 X T > - 0 0 21 1,-0.1 4,-2.1 45,-0.0 3,-0.1 -0.758 25.0-110.5-120.3 162.6 31.2 -5.3 12.1 39 39 X P H > S+ 0 0 93 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.851 120.2 57.5 -55.2 -35.1 34.4 -6.8 13.4 40 40 X L H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.916 105.9 48.8 -62.4 -47.5 35.6 -3.2 14.1 41 41 X M H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.896 108.3 55.6 -55.1 -42.2 32.5 -2.7 16.3 42 42 X G H X S+ 0 0 15 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.912 107.7 48.1 -54.9 -43.3 33.4 -6.0 17.9 43 43 X E H X S+ 0 0 98 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.898 109.1 52.8 -65.6 -48.5 36.8 -4.8 18.8 44 44 X Y H X S+ 0 0 1 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.930 113.1 43.9 -52.8 -46.6 35.5 -1.5 20.2 45 45 X Y H >< S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.899 111.4 54.3 -67.6 -39.4 33.1 -3.4 22.5 46 46 X R H >< S+ 0 0 109 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.871 102.5 57.3 -62.8 -38.3 35.8 -5.8 23.5 47 47 X Q H 3< S+ 0 0 57 -4,-2.5 -1,-0.3 1,-0.2 3,-0.3 0.742 110.6 44.9 -58.1 -30.2 38.1 -3.0 24.5 48 48 X R T X< S+ 0 0 0 -3,-1.0 3,-2.2 -4,-0.7 -1,-0.2 0.218 76.3 113.4 -98.9 13.1 35.4 -1.8 27.0 49 49 X A T < + 0 0 3 -3,-1.4 47,-0.2 1,-0.3 -1,-0.1 0.572 60.2 75.1 -76.3 -6.2 34.5 -5.2 28.5 50 50 X S T 3 S+ 0 0 59 280,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.612 73.1 112.7 -74.1 -9.3 35.8 -4.3 31.9 51 51 X A S < S- 0 0 0 -3,-2.2 45,-0.4 279,-0.2 3,-0.2 -0.307 82.6-120.2 -54.9 143.3 32.7 -2.2 32.3 52 52 X G S S- 0 0 0 -32,-2.2 2,-0.3 1,-0.3 -31,-0.2 0.866 98.5 -8.8 -46.3 -44.1 30.2 -3.4 34.9 53 53 X L E -c 21 0B 2 -33,-0.5 -31,-2.6 -37,-0.1 2,-0.5 -0.896 68.2-141.8-156.7 137.2 27.8 -3.6 32.1 54 54 X I E -cd 22 97B 1 42,-2.4 44,-3.2 -2,-0.3 2,-0.5 -0.881 11.5-160.3 -95.8 131.0 28.0 -2.5 28.5 55 55 X I E - d 0 98B 2 -33,-2.2 -30,-0.4 -2,-0.5 44,-0.2 -0.954 24.2-130.3-108.1 122.1 24.8 -1.1 27.0 56 56 X S E - 0 0 0 42,-3.2 3,-0.1 -2,-0.5 -30,-0.1 -0.148 26.2 -84.5 -69.0 163.6 25.0 -1.2 23.2 57 57 X E E - 0 0 2 -32,-0.3 43,-0.6 -33,-0.2 -1,-0.1 -0.251 68.5 -72.9 -49.0 150.6 24.3 1.5 20.7 58 58 X A E - d 0 100B 2 41,-0.1 2,-0.4 -3,-0.1 43,-0.2 -0.349 55.6-160.6 -53.4 133.3 20.7 1.8 19.8 59 59 X T E - d 0 101B 0 41,-2.1 43,-2.1 12,-0.1 14,-0.3 -0.992 16.5-119.9-130.9 124.6 19.7 -1.1 17.5 60 60 X Q E -ed 73 102B 0 12,-2.4 14,-1.8 -2,-0.4 43,-0.2 -0.399 8.3-153.0 -66.0 134.1 16.7 -1.2 15.2 61 61 X I S S- 0 0 5 41,-2.0 2,-0.3 12,-0.2 -1,-0.1 0.573 79.1 -1.7 -79.7 -13.7 14.1 -3.8 15.9 62 62 X S S S- 0 0 15 40,-0.3 4,-0.5 1,-0.1 3,-0.1 -0.949 80.6 -95.0-162.5 166.5 13.0 -3.7 12.2 63 63 X A S > S+ 0 0 45 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.912 125.6 53.3 -59.8 -40.2 13.7 -1.9 8.9 64 64 X Q T 3 S+ 0 0 45 1,-0.3 56,-0.3 49,-0.1 -1,-0.2 0.843 102.0 62.0 -64.6 -28.4 10.8 0.5 9.6 65 65 X A T 3 S+ 0 0 0 38,-0.1 39,-2.0 -3,-0.1 -1,-0.3 0.646 79.1 115.7 -71.4 -16.1 12.5 1.2 13.0 66 66 X K < + 0 0 14 -3,-1.4 43,-0.3 -4,-0.5 46,-0.1 -0.392 28.8 161.8 -61.8 126.2 15.6 2.5 11.4 67 67 X G + 0 0 0 -2,-0.2 2,-0.4 1,-0.2 65,-0.3 0.590 58.2 45.2-110.8 -22.9 16.4 6.1 12.0 68 68 X Y S > S- 0 0 8 63,-0.1 3,-1.7 44,-0.1 2,-0.4 -0.991 75.7-118.9-134.9 134.5 20.1 6.5 11.1 69 69 X A T 3 S+ 0 0 2 63,-2.8 -37,-0.1 -2,-0.4 283,-0.0 -0.586 107.4 26.0 -68.3 127.7 22.3 5.4 8.3 70 70 X G T 3 S+ 0 0 0 1,-0.4 -40,-2.3 -2,-0.4 -41,-0.4 0.288 88.8 124.2 97.8 -9.7 25.0 3.3 10.0 71 71 X A < - 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