==== 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 15-FEB-00 1EG9 . COMPND 2 MOLECULE: PROTEIN (NAPHTHALENE 1,2-DIOXYGENASE ALPHA SUBUNI . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR E.CARREDANO,A.KARLSSON,B.KAUPPI,D.CHOUDHURY,R.E.PARALES,J.V. . 640 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 21.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 1 0.2 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 . 56 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 3 1 2 1 1 1 0 1 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 4 3 5 2 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 1 1 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 A M 0 0 92 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 135.2 2.1 71.4 106.2 2 2 A N >> - 0 0 85 1,-0.2 4,-2.7 2,-0.0 3,-0.7 -0.836 360.0-168.3 -91.0 106.1 4.6 70.4 109.0 3 3 A Y T 34 S+ 0 0 34 -2,-0.9 -1,-0.2 1,-0.2 5,-0.1 0.645 81.1 64.6 -75.2 -10.6 7.4 68.5 107.2 4 4 A N T 34 S+ 0 0 106 1,-0.1 -1,-0.2 -3,-0.1 421,-0.1 0.872 120.9 18.8 -70.2 -38.0 8.9 67.2 110.5 5 5 A N T <4 S+ 0 0 124 -3,-0.7 2,-0.3 2,-0.0 -2,-0.2 0.671 92.4 106.9-104.8 -31.8 5.7 65.2 111.2 6 6 A K < - 0 0 68 -4,-2.7 2,-1.3 1,-0.1 3,-0.2 -0.474 63.8-137.2 -60.6 127.2 3.7 64.7 107.9 7 7 A I + 0 0 115 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.718 40.7 156.1 -83.7 89.9 4.0 61.1 106.7 8 8 A L S S+ 0 0 2 -2,-1.3 9,-2.5 1,-0.3 2,-0.4 0.722 73.3 35.5 -81.7 -34.7 4.5 61.8 103.0 9 9 A V B S-A 16 0A 9 -3,-0.2 -1,-0.3 7,-0.2 7,-0.2 -0.993 89.2-131.7-119.9 128.1 6.3 58.4 102.5 10 10 A S > - 0 0 32 5,-2.1 3,-2.2 -2,-0.4 4,-0.2 -0.145 45.2 -65.5 -77.5 164.7 5.1 55.4 104.6 11 11 A E G > S+ 0 0 127 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 -0.200 123.7 14.2 -51.2 136.6 7.5 53.1 106.5 12 12 A S G 3 S- 0 0 3 1,-0.3 -1,-0.3 -3,-0.1 406,-0.1 0.463 121.8 -83.1 71.4 18.0 9.8 51.1 104.2 13 13 A G G < S+ 0 0 0 -3,-2.2 -1,-0.3 404,-0.1 -2,-0.2 0.671 87.8 144.1 64.8 24.9 9.0 53.4 101.2 14 14 A L < - 0 0 46 -3,-1.3 371,-2.6 -4,-0.2 2,-0.3 0.707 66.6 -0.4 -72.8 -27.7 5.8 51.2 100.6 15 15 A S E - B 0 384A 20 369,-0.2 -5,-2.1 -5,-0.2 2,-0.3 -0.950 60.3-151.0-157.9 157.9 3.6 54.1 99.5 16 16 A Q E -AB 9 383A 3 367,-1.8 367,-3.2 -2,-0.3 2,-0.3 -0.992 32.5-103.6-131.6 145.2 3.7 57.9 98.9 17 17 A K E > - B 0 382A 33 -9,-2.5 3,-2.1 -2,-0.3 365,-0.2 -0.572 28.3-131.5 -67.6 140.0 1.0 60.5 99.2 18 18 A H G > S+ 0 0 22 363,-2.7 3,-2.3 360,-0.4 4,-0.3 0.829 100.1 74.8 -66.4 -26.9 -0.1 61.5 95.7 19 19 A L G >> S+ 0 0 14 360,-2.2 4,-2.7 1,-0.3 3,-1.6 0.736 74.7 80.1 -54.3 -20.8 0.1 65.2 96.6 20 20 A I G <4 S+ 0 0 2 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.827 93.2 49.6 -63.9 -23.6 4.0 64.9 96.4 21 21 A H G <4 S+ 0 0 2 -3,-2.3 -1,-0.3 -4,-0.2 -2,-0.2 0.525 124.5 26.1 -90.0 -1.4 3.7 65.2 92.6 22 22 A G T <4 S+ 0 0 2 -3,-1.6 2,-0.5 351,-0.4 -2,-0.2 0.548 84.4 109.5-130.9 -11.8 1.4 68.3 92.7 23 23 A D X - 0 0 48 -4,-2.7 4,-2.0 1,-0.2 5,-0.1 -0.549 44.1-163.9 -84.5 119.4 1.8 70.4 95.9 24 24 A E H > S+ 0 0 70 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.849 89.2 56.0 -71.2 -29.3 3.5 73.7 95.2 25 25 A E H > S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 109.1 48.8 -65.8 -35.8 4.4 74.4 98.9 26 26 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.893 107.3 55.3 -68.9 -39.5 6.2 71.0 98.9 27 27 A F H X S+ 0 0 3 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.947 108.1 48.0 -57.6 -44.7 8.0 72.0 95.7 28 28 A Q H X S+ 0 0 114 -4,-2.2 4,-1.1 1,-0.2 3,-0.3 0.929 111.5 50.9 -61.7 -34.2 9.3 75.2 97.4 29 29 A H H X S+ 0 0 30 -4,-2.1 4,-2.6 1,-0.2 3,-0.3 0.884 105.2 56.2 -74.6 -26.2 10.3 73.1 100.4 30 30 A E H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-2.2 0.834 95.8 65.9 -73.7 -27.8 12.2 70.7 98.1 31 31 A L H <>S+ 0 0 28 -4,-1.4 5,-1.3 -3,-0.3 -1,-0.2 0.936 113.5 32.9 -59.5 -40.9 14.2 73.6 96.7 32 32 A K H <5S+ 0 0 134 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.933 129.4 32.2 -78.9 -46.9 15.7 73.9 100.2 33 33 A T H <5S+ 0 0 1 -4,-2.6 -3,-0.2 3,-0.1 -2,-0.2 0.622 132.5 23.4 -93.3 -17.2 15.8 70.3 101.4 34 34 A I T X5S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 3,-0.4 0.744 128.9 32.3-106.8 -63.0 16.4 68.4 98.1 35 35 A F T 4> -C 147 0B 8 -2,-0.3 3,-2.2 103,-0.2 4,-1.1 -0.955 30.0-116.3-127.0 152.0 31.3 66.4 81.7 45 45 A D G >4 S+ 0 0 54 101,-2.2 3,-0.6 -2,-0.3 102,-0.1 0.856 114.7 63.5 -49.5 -39.5 35.0 67.0 81.1 46 46 A S G 34 S+ 0 0 33 1,-0.2 -1,-0.3 134,-0.2 138,-0.1 0.636 101.8 49.7 -64.0 -18.8 34.4 66.3 77.4 47 47 A L G <4 S+ 0 0 16 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.651 124.7 26.2 -95.6 -18.7 32.1 69.4 77.1 48 48 A I S << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 -0.340 75.6 143.9-136.3 62.3 34.6 71.8 78.9 49 49 A P + 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.754 54.0 60.5 -72.1 -34.8 38.0 70.3 78.2 50 50 A A S > S- 0 0 41 1,-0.1 3,-2.7 -5,-0.0 18,-0.3 -0.761 95.8 -86.5-105.0 151.9 40.2 73.4 77.8 51 51 A P T 3 S+ 0 0 74 0, 0.0 18,-0.2 0, 0.0 3,-0.1 -0.242 116.7 22.8 -48.3 128.0 41.0 76.4 80.0 52 52 A G T 3 S+ 0 0 5 16,-2.6 44,-2.3 1,-0.3 2,-0.1 0.182 88.0 132.5 95.6 -19.3 38.3 79.0 79.6 53 53 A D E < +E 95 0C 10 -3,-2.7 15,-2.7 42,-0.2 -1,-0.3 -0.448 32.1 172.4 -66.0 140.3 35.6 76.6 78.3 54 54 A Y E -EF 94 67C 15 40,-2.6 40,-2.0 13,-0.2 2,-0.3 -0.985 20.1-169.5-142.4 162.2 32.3 77.0 80.1 55 55 A V E -EF 93 66C 9 11,-1.9 11,-3.1 -2,-0.3 2,-0.3 -0.931 23.6-123.2-140.5 162.9 28.7 75.9 80.1 56 56 A T E + F 0 65C 10 36,-1.8 2,-0.3 -2,-0.3 9,-0.2 -0.801 34.3 174.2-102.7 148.0 25.5 77.0 81.8 57 57 A A E - F 0 64C 2 7,-2.2 7,-3.0 -2,-0.3 2,-0.4 -0.966 28.6-118.5-145.5 155.5 23.6 74.5 83.9 58 58 A K E - F 0 63C 31 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.840 15.4-169.9 -93.0 148.8 20.6 74.4 86.2 59 59 A M E > S- F 0 62C 1 3,-2.5 3,-1.9 -2,-0.4 2,-0.2 -0.952 75.6 -48.5-129.4 99.8 20.9 73.4 89.8 60 60 A G T 3 S- 0 0 1 -2,-0.4 -29,-0.0 1,-0.3 -24,-0.0 -0.498 121.8 -28.4 66.8-127.5 17.3 73.1 90.9 61 61 A I T 3 S+ 0 0 78 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.484 122.6 96.0 -93.3 -7.1 15.8 76.4 89.7 62 62 A D E < -F 59 0C 75 -3,-1.9 -3,-2.5 16,-0.0 2,-0.4 -0.517 67.7-139.3 -80.0 147.8 19.1 78.3 90.0 63 63 A E E -F 58 0C 69 -5,-0.2 16,-2.7 -2,-0.1 2,-0.3 -0.965 21.3-172.0-108.0 135.8 21.4 78.7 86.9 64 64 A V E -FG 57 78C 0 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.5 -0.869 23.3-131.1-124.4 154.7 25.1 78.4 87.3 65 65 A I E -FG 56 77C 0 12,-2.9 12,-2.3 -2,-0.3 2,-0.5 -0.939 21.8-159.0 -98.8 130.2 28.2 79.0 85.1 66 66 A V E -FG 55 76C 0 -11,-3.1 -11,-1.9 -2,-0.5 2,-0.4 -0.965 17.6-176.7-117.7 114.1 30.5 76.0 85.1 67 67 A S E -FG 54 75C 0 8,-2.9 8,-2.1 -2,-0.5 2,-0.6 -0.937 29.8-129.6-128.2 136.6 34.1 76.9 84.0 68 68 A R E - G 0 74C 28 -15,-2.7 -16,-2.6 -2,-0.4 6,-0.2 -0.671 34.4-144.1 -79.6 119.2 37.4 75.2 83.4 69 69 A Q > - 0 0 16 4,-2.8 3,-1.9 -2,-0.6 -16,-0.1 -0.402 23.0-106.5 -78.8 163.9 40.1 77.1 85.3 70 70 A N T 3 S+ 0 0 146 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.778 119.3 57.1 -62.4 -28.2 43.7 77.6 84.2 71 71 A D T 3 S- 0 0 132 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.352 122.5-103.8 -83.7 1.4 44.9 75.0 86.7 72 72 A G S < S+ 0 0 41 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.356 84.2 117.9 97.0 -9.3 42.7 72.3 85.3 73 73 A S - 0 0 51 -5,-0.1 -4,-2.8 1,-0.0 2,-0.4 -0.279 60.0-125.3 -83.5 173.1 40.0 72.4 88.0 74 74 A I E -G 68 0C 22 -6,-0.2 2,-0.3 67,-0.1 -6,-0.2 -0.990 24.1-176.9-120.6 131.2 36.4 73.3 87.5 75 75 A R E -G 67 0C 79 -8,-2.1 -8,-2.9 -2,-0.4 2,-0.4 -0.932 9.1-154.9-124.1 152.6 34.6 76.0 89.5 76 76 A A E -G 66 0C 0 62,-0.4 62,-2.6 -2,-0.3 2,-0.3 -0.963 11.0-177.0-132.7 138.2 30.9 76.9 89.3 77 77 A F E -GH 65 137C 2 -12,-2.3 -12,-2.9 -2,-0.4 60,-0.2 -0.985 37.1 -93.4-132.3 151.0 29.2 80.2 90.1 78 78 A L E -G 64 0C 24 58,-3.2 2,-1.9 -2,-0.3 -14,-0.3 -0.385 37.6-125.8 -59.5 141.8 25.6 81.5 90.2 79 79 A N S S+ 0 0 2 -16,-2.7 9,-0.4 56,-0.1 2,-0.4 -0.416 76.2 108.4 -89.9 57.7 24.8 83.2 86.8 80 80 A V S S- 0 0 60 -2,-1.9 56,-0.3 7,-0.2 7,-0.2 -0.984 71.6-118.5-142.3 122.4 23.8 86.4 88.6 81 81 A C > - 0 0 6 5,-2.8 4,-1.1 -2,-0.4 -2,-0.1 -0.469 15.4-137.6 -64.4 141.8 25.7 89.8 88.7 82 82 A R T 4 S+ 0 0 102 51,-0.2 -1,-0.1 -2,-0.2 52,-0.0 0.481 94.1 59.6 -78.1 -10.4 26.8 90.9 92.1 83 83 A H T 4 S- 0 0 57 3,-0.1 -1,-0.1 23,-0.0 -3,-0.0 0.893 131.8 -17.2 -80.1 -85.1 25.8 94.6 91.4 84 84 A R T 4 S- 0 0 189 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.132 95.5-103.6-116.8 20.3 22.0 94.7 90.5 85 85 A G < + 0 0 40 -4,-1.1 -3,-0.1 1,-0.2 2,-0.1 0.578 59.0 158.5 80.5 20.1 21.4 91.0 89.8 86 86 A K - 0 0 71 -6,-0.1 -5,-2.8 1,-0.1 2,-0.4 -0.331 54.0 -96.4 -71.7 157.0 21.2 90.8 86.0 87 87 A T - 0 0 68 -7,-0.2 15,-0.3 1,-0.2 -7,-0.2 -0.534 36.9-158.2 -73.6 123.9 21.8 87.3 84.4 88 88 A L + 0 0 12 -9,-0.4 2,-0.5 -2,-0.4 14,-0.2 0.951 69.9 39.6 -72.2 -53.8 25.5 87.4 83.4 89 89 A V + 0 0 10 1,-0.1 -1,-0.2 10,-0.1 12,-0.0 -0.881 52.7 179.2-109.6 125.6 25.7 84.8 80.7 90 90 A S + 0 0 107 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.1 0.484 60.4 76.5-106.1 2.8 23.0 84.3 78.0 91 91 A V S S- 0 0 18 1,-0.1 428,-0.2 426,-0.0 3,-0.1 -0.534 74.7-130.2-107.4 174.5 24.5 81.5 76.0 92 92 A E S S- 0 0 13 426,-2.6 -36,-1.8 1,-0.3 2,-0.3 0.690 82.4 -0.7 -99.3 -25.2 24.8 77.7 76.8 93 93 A A E +E 55 0C 0 425,-1.0 427,-0.5 -38,-0.2 -1,-0.3 -0.987 69.5 124.7-161.0 156.0 28.5 77.1 76.1 94 94 A G E -E 54 0C 0 -40,-2.0 -40,-2.6 -2,-0.3 2,-0.4 -0.983 49.1 -90.7 179.2-164.9 31.6 78.9 75.0 95 95 A N E +E 53 0C 14 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.2 -0.998 51.2 141.1-139.3 122.1 35.2 79.8 75.7 96 96 A A - 0 0 16 -44,-2.3 3,-0.1 -2,-0.4 -2,-0.1 -0.980 51.2-136.9-154.1 160.4 36.1 83.0 77.6 97 97 A K S S- 0 0 172 -2,-0.3 13,-1.9 1,-0.1 2,-0.3 0.508 90.8 -9.4 -95.4 -7.4 38.5 84.4 80.2 98 98 A G E -I 109 0D 27 11,-0.3 2,-0.4 12,-0.1 11,-0.2 -0.978 63.9-114.1-175.4 173.4 35.7 86.3 81.8 99 99 A F E -I 108 0D 11 9,-3.0 9,-2.7 -2,-0.3 2,-0.5 -0.994 21.7-156.0-128.9 125.6 32.1 87.4 81.7 100 100 A V E -I 107 0D 98 -2,-0.4 2,-0.4 7,-0.2 7,-0.2 -0.871 20.0-124.1-106.5 132.4 31.0 91.1 81.4 101 101 A C > - 0 0 4 5,-3.0 4,-1.5 -2,-0.5 -13,-0.1 -0.566 8.9-146.3 -75.3 136.7 27.6 92.2 82.5 102 102 A S T 4 S+ 0 0 89 -2,-0.4 -1,-0.1 -15,-0.3 -14,-0.1 0.453 89.8 61.9 -78.4 -4.3 25.4 93.9 79.9 103 103 A Y T 4 S- 0 0 151 3,-0.1 -1,-0.1 -17,-0.0 -3,-0.0 0.937 130.4 -9.1 -85.7 -66.5 23.8 96.3 82.4 104 104 A H T 4 S- 0 0 82 2,-0.1 -2,-0.2 0, 0.0 -3,-0.0 0.281 95.6-109.8-116.5 5.5 26.6 98.4 83.9 105 105 A G < + 0 0 23 -4,-1.5 -3,-0.1 1,-0.2 2,-0.1 0.585 52.0 165.1 85.0 13.6 29.7 96.5 82.5 106 106 A W - 0 0 11 11,-0.1 -5,-3.0 -6,-0.1 2,-0.5 -0.385 27.1-143.4 -63.3 141.0 31.2 94.8 85.5 107 107 A G E -IJ 100 116D 4 9,-3.1 8,-2.6 -7,-0.2 9,-1.8 -0.936 15.6-170.8-118.7 122.9 33.6 92.2 84.5 108 108 A F E -IJ 99 114D 1 -9,-2.7 -9,-3.0 -2,-0.5 6,-0.2 -0.859 20.3-126.1-105.9 141.2 34.1 88.9 86.3 109 109 A G E > -I 98 0D 0 4,-2.6 3,-2.3 -2,-0.4 -11,-0.3 -0.336 31.4-102.4 -76.4 175.6 36.9 86.4 85.6 110 110 A S T 3 S+ 0 0 14 -13,-1.9 -35,-0.2 1,-0.3 -43,-0.1 0.689 126.0 61.1 -64.3 -22.1 36.4 82.7 84.8 111 111 A N T 3 S- 0 0 38 -14,-0.3 -1,-0.3 2,-0.1 -35,-0.1 0.220 120.9-110.4 -89.2 11.9 37.4 82.3 88.5 112 112 A G S < S+ 0 0 3 -3,-2.3 23,-2.8 1,-0.2 -2,-0.1 0.286 71.3 140.1 81.9 -7.0 34.4 84.3 89.6 113 113 A E - 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