==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-MAY-13 4KW2 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARABACTEROIDES DISTASONIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 240 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 0 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 3 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 26 A A 0 0 119 0, 0.0 240,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -77.3 91.4 30.6 43.6 2 27 A D + 0 0 51 1,-0.1 2,-0.2 238,-0.1 239,-0.1 0.980 360.0 1.3 -76.7 -56.3 92.4 29.3 47.0 3 28 A W S S- 0 0 10 235,-0.1 2,-0.4 212,-0.0 212,-0.2 -0.730 71.8-111.0-125.4 173.1 89.1 28.1 48.5 4 29 A K E -a 215 0A 79 210,-2.6 212,-3.6 -2,-0.2 2,-0.5 -0.868 18.0-151.3-106.6 143.2 85.4 27.8 47.5 5 30 A V E +a 216 0A 8 -2,-0.4 25,-0.6 210,-0.2 26,-0.4 -0.966 27.6 162.0-113.7 119.4 82.6 29.9 48.9 6 31 A G E -a 217 0A 0 210,-3.0 212,-2.8 -2,-0.5 2,-0.4 -0.792 32.4-113.2-128.0 171.8 79.2 28.2 48.9 7 32 A I E -ab 218 32A 0 24,-1.9 26,-3.0 -2,-0.3 2,-0.7 -0.844 16.4-130.6-106.3 143.6 75.8 28.6 50.6 8 33 A Q E > - b 0 33A 25 210,-3.3 3,-2.0 -2,-0.4 212,-0.2 -0.852 18.6-145.9 -82.1 119.7 74.0 26.2 53.0 9 34 A T G > S+ 0 0 0 24,-2.2 3,-2.1 -2,-0.7 25,-0.1 0.741 91.9 81.1 -63.9 -20.5 70.6 25.9 51.5 10 35 A W G > S+ 0 0 116 23,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.813 75.7 76.0 -50.1 -31.9 69.2 25.7 55.1 11 36 A T G < S+ 0 0 2 -3,-2.0 211,-0.6 1,-0.3 -1,-0.3 0.845 107.8 28.6 -44.1 -40.7 69.6 29.5 55.0 12 37 A F G X S+ 0 0 3 -3,-2.1 3,-2.3 -4,-0.2 -1,-0.3 -0.231 76.2 137.8-119.3 41.6 66.4 29.5 52.9 13 38 A H T < + 0 0 86 -3,-1.9 26,-0.2 1,-0.3 -1,-0.1 0.687 68.4 65.4 -66.9 -18.0 64.7 26.4 54.1 14 39 A N T 3 S+ 0 0 80 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.447 101.8 60.8 -76.1 -8.7 61.3 28.3 54.1 15 40 A L S < S- 0 0 41 -3,-2.3 24,-0.2 1,-0.1 2,-0.1 -0.641 97.7 -93.9-107.6 172.7 61.7 28.5 50.3 16 41 A T > - 0 0 27 -2,-0.2 4,-2.1 22,-0.1 24,-0.2 -0.413 39.1-109.5 -74.5 164.8 61.8 25.9 47.7 17 42 A L H > S+ 0 0 1 22,-2.8 4,-2.5 2,-0.2 5,-0.2 0.893 120.2 53.6 -64.1 -39.5 65.3 24.7 46.5 18 43 A X H > S+ 0 0 5 22,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.925 110.9 46.1 -62.0 -44.4 64.8 26.4 43.1 19 44 A E H > S+ 0 0 89 21,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.868 110.5 54.4 -62.0 -37.9 64.0 29.7 44.9 20 45 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.904 107.7 49.4 -61.2 -42.6 67.0 29.1 47.2 21 46 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.841 107.7 54.4 -67.6 -33.5 69.2 28.7 44.1 22 47 A D H X S+ 0 0 56 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.888 109.9 47.1 -63.8 -40.7 67.8 32.0 42.7 23 48 A K H X S+ 0 0 70 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.877 107.4 56.6 -65.2 -40.9 68.8 33.7 46.0 24 49 A T H X>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 4,-1.1 0.861 106.3 50.9 -58.5 -37.2 72.2 32.1 45.7 25 50 A Q H <5S+ 0 0 87 -4,-1.7 3,-0.3 2,-0.2 -1,-0.2 0.907 108.5 50.7 -65.0 -43.5 72.5 33.8 42.3 26 51 A Q H <5S+ 0 0 102 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.830 109.8 51.1 -64.9 -32.1 71.6 37.1 43.8 27 52 A L H <5S- 0 0 0 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.753 113.5-122.9 -72.5 -26.9 74.2 36.6 46.4 28 53 A G T <5 + 0 0 34 -4,-1.1 2,-0.3 -3,-0.3 -3,-0.2 0.893 59.2 142.3 83.7 45.6 76.8 35.8 43.8 29 54 A X < - 0 0 9 -5,-1.9 -1,-0.3 1,-0.1 -23,-0.1 -0.924 40.0-160.2-120.5 146.5 77.9 32.3 44.9 30 55 A G + 0 0 22 -25,-0.6 42,-2.9 -2,-0.3 2,-0.3 0.199 69.0 57.9-109.9 14.2 78.8 29.3 42.7 31 56 A Y E - c 0 72A 60 -26,-0.4 -24,-1.9 40,-0.3 2,-0.3 -0.977 56.6-163.6-145.5 153.0 78.4 26.4 45.1 32 57 A A E -b 7 0A 1 40,-1.6 43,-2.1 -2,-0.3 2,-0.6 -0.999 16.3-156.7-142.4 142.2 75.8 24.9 47.4 33 58 A E E -bc 8 75A 6 -26,-3.0 -24,-2.2 -2,-0.3 -23,-0.4 -0.962 32.6-156.8-110.9 107.7 75.6 22.5 50.4 34 59 A A E - c 0 76A 1 41,-2.1 43,-1.9 -2,-0.6 2,-0.3 -0.715 9.8-148.9 -99.8 135.4 72.0 21.2 50.2 35 60 A F > - 0 0 35 -2,-0.4 3,-0.6 41,-0.2 15,-0.2 -0.737 29.0-109.1 -94.0 147.4 69.9 19.7 53.1 36 61 A F T 3 S+ 0 0 25 -2,-0.3 15,-0.2 1,-0.2 3,-0.1 -0.303 89.8 38.2 -78.8 158.6 67.3 17.0 52.3 37 62 A F T 3 S+ 0 0 124 13,-3.7 2,-0.4 1,-0.3 -1,-0.2 0.428 73.8 137.7 79.2 8.7 63.5 17.3 52.4 38 63 A Q < - 0 0 5 -3,-0.6 12,-2.3 12,-0.2 -1,-0.3 -0.665 65.2-106.9 -74.9 133.3 63.4 20.8 51.0 39 64 A E B -I 49 0B 54 -2,-0.4 -22,-2.8 10,-0.2 10,-0.3 -0.380 26.2-146.6 -55.3 133.3 60.6 21.1 48.4 40 65 A L - 0 0 0 8,-2.7 -22,-2.4 -24,-0.2 -21,-0.3 0.967 27.6-158.0 -73.5 -52.0 62.2 21.3 45.0 41 66 A G > + 0 0 8 7,-0.5 3,-2.1 4,-0.4 -1,-0.1 -0.134 35.8 6.1 91.4 167.0 59.8 23.7 43.3 42 67 A A T 3 S+ 0 0 82 1,-0.4 -26,-0.0 -2,-0.1 -24,-0.0 -0.302 117.9 37.9 -57.9 139.1 59.1 24.3 39.6 43 68 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.981 115.7 70.9 -77.6 -4.8 60.1 22.8 37.2 44 69 A F S < S- 0 0 7 -3,-2.1 3,-0.1 1,-0.1 4,-0.0 -0.427 97.6-100.9 -71.2 150.4 59.7 19.9 39.5 45 70 A P > - 0 0 76 0, 0.0 3,-1.3 0, 0.0 -4,-0.4 -0.318 48.7 -81.8 -71.0 158.7 56.1 18.9 40.3 46 71 A K T 3 S+ 0 0 171 1,-0.2 3,-0.1 -6,-0.1 -7,-0.0 -0.247 113.4 24.4 -62.3 146.4 54.5 20.0 43.6 47 72 A E T 3 S+ 0 0 142 1,-0.3 2,-0.6 -3,-0.1 -1,-0.2 0.525 85.7 130.6 72.0 10.2 55.3 17.9 46.7 48 73 A T < - 0 0 29 -3,-1.3 -8,-2.7 -4,-0.0 -7,-0.5 -0.858 38.0-173.3 -92.4 124.0 58.6 16.6 45.3 49 74 A Y B -I 39 0B 100 -2,-0.6 2,-0.5 -10,-0.3 -10,-0.2 -0.741 32.1 -89.9-117.7 162.9 61.3 17.0 47.9 50 75 A L + 0 0 0 -12,-2.3 -13,-3.7 -2,-0.2 2,-0.3 -0.591 68.4 126.0 -73.8 119.6 65.1 16.6 47.9 51 76 A N S > S- 0 0 14 -2,-0.5 3,-1.3 -15,-0.2 -16,-0.0 -0.958 72.5 -97.4-165.6 165.8 66.0 13.1 49.0 52 77 A Y T 3 S+ 0 0 49 -2,-0.3 -2,-0.1 1,-0.3 -16,-0.0 0.486 110.3 74.1 -73.6 -0.9 68.1 10.2 47.7 53 78 A D T 3 + 0 0 101 2,-0.0 -1,-0.3 40,-0.0 -3,-0.0 0.311 64.7 133.8 -92.1 6.2 65.0 8.5 46.1 54 79 A L < - 0 0 14 -3,-1.3 5,-0.1 1,-0.1 -4,-0.0 -0.338 60.8-110.7 -60.5 136.2 64.7 11.0 43.2 55 80 A S > - 0 0 57 1,-0.1 4,-2.8 3,-0.0 5,-0.2 -0.150 26.6-107.8 -59.8 159.7 64.1 9.3 39.8 56 81 A D H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.886 122.7 53.0 -57.1 -40.8 66.9 9.3 37.2 57 82 A D H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 111.6 44.4 -58.6 -48.4 64.8 11.9 35.2 58 83 A N H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.831 111.3 54.1 -68.2 -34.6 64.5 14.1 38.3 59 84 A C H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.893 110.3 47.1 -61.7 -42.0 68.2 13.7 39.1 60 85 A A H X S+ 0 0 41 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.887 112.7 49.2 -68.1 -38.7 69.0 14.8 35.5 61 86 A L H X S+ 0 0 50 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.900 109.3 52.4 -66.5 -39.7 66.7 17.7 35.8 62 87 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.928 109.3 49.4 -62.6 -44.3 68.2 18.7 39.2 63 88 A R H X S+ 0 0 101 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.927 111.9 49.0 -58.0 -45.5 71.7 18.7 37.6 64 89 A H H X S+ 0 0 95 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.888 108.0 53.8 -60.9 -42.5 70.4 20.9 34.7 65 90 A E H < S+ 0 0 20 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.852 111.7 44.7 -65.5 -38.3 68.8 23.3 37.1 66 91 A F H ><>S+ 0 0 2 -4,-1.9 5,-1.9 -5,-0.2 3,-1.2 0.946 113.4 51.9 -63.3 -49.3 72.0 23.8 39.0 67 92 A K H ><5S+ 0 0 166 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.893 104.3 53.2 -60.7 -47.3 74.1 24.1 35.8 68 93 A I T 3<5S+ 0 0 98 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.627 110.0 50.9 -66.5 -13.1 72.0 26.8 34.1 69 94 A R T < 5S- 0 0 41 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.440 113.4-117.4 -98.1 -2.8 72.3 29.0 37.3 70 95 A G T < 5S+ 0 0 58 -3,-1.7 2,-0.4 -4,-0.4 -3,-0.2 0.833 73.5 128.0 69.4 34.5 76.1 28.6 37.4 71 96 A I < - 0 0 4 -5,-1.9 -40,-0.3 -6,-0.1 -1,-0.2 -0.988 52.0-141.7-124.4 129.5 76.0 26.9 40.8 72 97 A K E -c 31 0A 134 -42,-2.9 2,-2.2 -2,-0.4 -40,-1.6 -0.759 13.6-136.0 -90.7 133.4 77.7 23.5 41.5 73 98 A P E + 0 0 17 0, 0.0 -40,-0.1 0, 0.0 -42,-0.1 -0.437 46.8 158.5 -81.3 65.8 75.8 21.0 43.7 74 99 A I E + 0 0 6 -2,-2.2 27,-2.5 25,-0.2 26,-2.0 0.778 51.5 21.7 -68.9 -33.0 79.2 20.5 45.5 75 100 A A E -cd 33 101A 0 -43,-2.1 -41,-2.1 -3,-0.3 2,-0.4 -0.956 50.8-164.4-139.0 152.7 77.9 19.1 48.8 76 101 A F E -cd 34 102A 0 25,-1.0 27,-2.3 -2,-0.3 3,-0.3 -0.989 39.8 -28.7-128.7 144.5 75.0 17.5 50.5 77 102 A G E - 0 0 10 -43,-1.9 27,-0.1 -2,-0.4 -2,-0.1 -0.853 37.4-105.9 156.4 175.0 74.6 17.3 54.3 78 103 A V E + 0 0 65 25,-0.4 2,-0.4 -2,-0.2 26,-0.3 0.167 57.3 173.7 -93.5 124.5 74.5 17.1 57.2 79 104 A A E + d 0 104A 7 24,-2.3 26,-2.8 -3,-0.3 -3,-0.0 -0.762 13.2 170.9 -94.9 134.3 73.6 13.4 57.0 80 105 A S + 0 0 77 -2,-0.4 -1,-0.1 24,-0.2 24,-0.1 -0.411 20.5 172.4-137.7 55.9 73.4 11.5 60.3 81 106 A Y - 0 0 40 1,-0.1 -2,-0.0 2,-0.1 3,-0.0 -0.242 30.0-151.8 -74.1 158.3 71.9 8.2 59.2 82 107 A G S S+ 0 0 62 24,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.465 71.6 56.6-108.0 -6.6 71.5 5.1 61.4 83 108 A T S > S- 0 0 61 1,-0.1 4,-1.8 27,-0.0 5,-0.1 -0.921 72.9-128.2-129.2 156.5 71.6 2.3 58.8 84 109 A N H > S+ 0 0 83 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.845 109.4 59.0 -66.3 -36.3 74.0 1.1 56.1 85 110 A E H > S+ 0 0 127 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 106.4 47.9 -58.1 -47.6 71.2 1.1 53.5 86 111 A E H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.924 112.2 48.4 -60.0 -47.2 70.6 4.8 54.1 87 112 A W H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.952 111.8 50.3 -58.3 -49.0 74.3 5.6 53.8 88 113 A D H X S+ 0 0 55 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.924 112.9 45.2 -55.2 -50.4 74.6 3.6 50.7 89 114 A K H X S+ 0 0 87 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.861 112.4 52.7 -62.6 -37.9 71.7 5.4 49.0 90 115 A F H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.924 111.6 44.3 -64.7 -47.6 72.9 8.8 50.2 91 116 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.863 112.9 52.0 -65.6 -39.0 76.4 8.3 48.7 92 117 A A H X S+ 0 0 24 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.917 112.2 46.6 -61.6 -44.0 74.9 6.9 45.4 93 118 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.934 109.8 52.1 -64.2 -49.4 72.7 9.9 45.2 94 119 A A H X>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-1.3 0.915 113.3 45.8 -51.2 -46.9 75.5 12.4 45.9 95 120 A H H <5S+ 0 0 105 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.905 110.5 53.0 -63.7 -43.5 77.5 10.8 43.1 96 121 A K H <5S+ 0 0 69 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.870 112.2 44.2 -62.6 -38.4 74.6 10.7 40.7 97 122 A I H <5S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.713 119.4-112.6 -79.9 -20.8 73.9 14.5 41.2 98 123 A G T <5 + 0 0 37 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.1 0.724 56.0 161.6 96.7 25.7 77.7 15.1 40.9 99 124 A A < - 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