==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 01-MAR-12 4DZA . COMPND 2 MOLECULE: LYSINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS MIRABILIS; . AUTHOR W.C.WANG,H.M.WU . 371 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 10.5 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 . 3 0.8 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 . 30 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 1 1 1 1 1 1 2 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 1 1 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 . 1 2 1 4 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 . 2 0 1 2 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 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 37 A P 0 0 171 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 103.6 -35.4 -4.1 -15.3 2 38 A A - 0 0 104 1,-0.1 2,-0.2 3,-0.0 3,-0.0 -0.450 360.0-111.9 -65.9 135.2 -32.2 -5.0 -13.3 3 39 A I - 0 0 145 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.495 34.1-112.1 -68.9 135.9 -29.6 -2.2 -13.6 4 40 A V - 0 0 136 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.537 30.2-134.3 -74.6 132.0 -26.6 -3.3 -15.6 5 41 A N - 0 0 60 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.687 8.9-149.3 -89.5 137.2 -23.4 -3.6 -13.5 6 42 A N S S- 0 0 73 -2,-0.3 242,-0.5 1,-0.2 2,-0.3 0.851 89.3 -7.8 -64.5 -37.6 -20.1 -2.2 -14.7 7 43 A S S S- 0 0 1 240,-0.2 359,-0.6 -3,-0.0 2,-0.3 -0.925 72.5-166.1-151.9 166.3 -18.5 -5.1 -12.7 8 44 A W E -Ab 246 366A 32 238,-2.4 238,-3.4 -2,-0.3 2,-0.5 -0.979 20.0-130.2-159.3 158.0 -19.7 -7.7 -10.3 9 45 A I E -Ab 245 367A 0 357,-2.8 359,-2.8 -2,-0.3 2,-0.4 -0.988 22.8-144.3-116.1 116.2 -18.6 -10.3 -7.8 10 46 A E E -Ab 244 368A 40 234,-2.7 234,-1.7 -2,-0.5 2,-0.6 -0.709 10.0-157.5 -76.9 130.3 -20.0 -13.9 -8.2 11 47 A I E -Ab 243 369A 0 357,-2.8 359,-2.8 -2,-0.4 2,-0.7 -0.959 13.4-138.2-115.6 109.2 -20.6 -15.6 -4.9 12 48 A S E > - b 0 370A 15 230,-2.4 4,-2.0 -2,-0.6 359,-0.2 -0.596 14.8-169.8 -75.1 109.7 -20.6 -19.4 -5.3 13 49 A R H > S+ 0 0 82 357,-3.1 4,-2.6 -2,-0.7 5,-0.2 0.910 88.4 52.8 -66.5 -37.2 -23.5 -20.8 -3.2 14 50 A S H > S+ 0 0 61 356,-0.4 4,-2.6 357,-0.4 -1,-0.2 0.901 107.1 51.1 -69.6 -40.3 -22.1 -24.3 -3.8 15 51 A A H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 225,-0.3 0.913 113.2 45.1 -57.8 -49.3 -18.6 -23.4 -2.6 16 52 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.923 112.5 50.6 -58.5 -48.4 -20.0 -21.8 0.6 17 53 A D H X S+ 0 0 33 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.942 110.4 51.2 -59.8 -43.1 -22.3 -24.7 1.3 18 54 A F H X S+ 0 0 86 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.835 111.4 47.2 -53.1 -44.7 -19.4 -27.1 0.8 19 55 A N H X S+ 0 0 0 -4,-1.8 4,-2.3 210,-0.2 -1,-0.2 0.900 111.0 49.8 -71.8 -38.1 -17.3 -25.2 3.2 20 56 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.959 112.5 48.0 -63.5 -48.7 -20.0 -25.0 5.9 21 57 A K H X S+ 0 0 101 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.859 110.0 53.7 -63.8 -34.0 -20.7 -28.7 5.7 22 58 A K H X S+ 0 0 72 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.927 110.3 43.7 -69.5 -49.9 -17.0 -29.5 5.9 23 59 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 5,-0.3 0.942 114.2 52.3 -55.5 -48.7 -16.3 -27.5 9.1 24 60 A Q H X S+ 0 0 54 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.949 111.0 47.3 -53.5 -45.6 -19.5 -29.0 10.5 25 61 A S H < S+ 0 0 99 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.926 108.8 55.2 -63.9 -42.1 -18.2 -32.5 9.6 26 62 A L H < S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.852 115.1 37.4 -57.6 -42.5 -14.7 -31.8 11.1 27 63 A L H >< S+ 0 0 8 -4,-2.0 3,-2.0 -3,-0.2 -1,-0.2 0.827 84.3 171.1 -78.1 -38.2 -16.2 -30.8 14.6 28 64 A G T 3< S- 0 0 48 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.395 72.8 -21.4 59.0-126.3 -18.9 -33.4 14.6 29 65 A K T 3 S+ 0 0 212 -2,-0.2 -1,-0.3 -4,-0.1 2,-0.1 0.408 118.0 101.2 -95.4 0.2 -20.6 -33.5 18.0 30 66 A Q S < S- 0 0 134 -3,-2.0 191,-0.1 -4,-0.1 -3,-0.0 -0.485 91.6 -24.3 -75.1 153.8 -17.5 -32.0 19.7 31 67 A S S S- 0 0 34 189,-0.3 2,-0.3 -2,-0.1 191,-0.2 -0.002 85.7-101.5 49.1-144.0 -17.5 -28.3 20.6 32 68 A S - 0 0 48 187,-0.2 191,-2.5 2,-0.0 2,-0.6 -0.925 24.2-103.1-170.2 161.5 -19.9 -26.1 18.5 33 69 A L E -f 223 0B 20 -2,-0.3 2,-0.6 189,-0.2 27,-0.5 -0.804 23.4-178.2-101.6 121.6 -19.9 -23.8 15.5 34 70 A C E -fg 224 60B 0 189,-2.0 191,-2.1 -2,-0.6 2,-0.7 -0.982 22.1-146.2-108.2 115.5 -20.1 -20.0 15.7 35 71 A A E -fg 225 61B 0 25,-2.6 27,-2.4 -2,-0.6 2,-0.7 -0.755 7.3-150.3 -81.5 117.8 -20.0 -18.6 12.2 36 72 A V E + g 0 62B 0 189,-3.1 27,-0.2 -2,-0.7 25,-0.0 -0.794 24.2 168.7 -95.4 109.9 -18.2 -15.2 12.3 37 73 A L > + 0 0 0 25,-2.9 4,-2.0 -2,-0.7 3,-0.2 -0.039 23.8 138.6-115.7 21.2 -19.8 -13.1 9.5 38 74 A X H > + 0 0 72 24,-0.3 4,-2.3 2,-0.2 5,-0.1 -0.097 54.1 46.7 -56.2 169.6 -18.3 -9.7 10.3 39 75 A G H > S- 0 0 27 2,-0.2 4,-1.7 1,-0.2 6,-0.2 0.847 141.0 -59.6 62.3 35.1 -17.0 -7.4 7.6 40 76 A D H 4>S- 0 0 52 -3,-0.2 5,-2.4 2,-0.2 3,-0.3 0.960 107.7 -45.9 56.5 44.9 -20.2 -8.0 5.6 41 77 A A H ><5S- 0 0 0 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.952 108.3 -57.2 59.5 46.3 -19.3 -11.8 5.6 42 78 A Y H 3<5S- 0 0 10 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.821 107.0 -49.0 57.4 36.2 -15.7 -10.8 4.6 43 79 A G T 3<5S+ 0 0 1 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.374 120.5 105.8 89.3 -6.5 -17.0 -9.0 1.5 44 80 A H T < 5S- 0 0 4 -3,-2.2 -3,-0.2 -4,-0.2 -2,-0.1 0.505 94.6 -96.6 -86.2 -9.0 -19.2 -11.9 0.3 45 81 A D >>< - 0 0 19 -5,-2.4 4,-2.7 -6,-0.2 3,-1.3 0.735 16.5-136.0 96.5 106.8 -22.5 -10.1 1.4 46 82 A L H 3> S+ 0 0 6 1,-0.3 4,-2.9 2,-0.2 -5,-0.1 0.911 107.2 61.5 -55.7 -39.4 -24.1 -10.9 4.8 47 83 A S H 34 S+ 0 0 55 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.694 113.9 35.2 -52.1 -35.5 -27.5 -11.0 2.9 48 84 A L H <> S+ 0 0 37 -3,-1.3 4,-0.6 2,-0.1 -1,-0.2 0.788 121.6 42.8 -88.3 -40.8 -26.2 -13.9 0.8 49 85 A V H >X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 3,-0.6 0.910 104.6 59.7 -81.7 -40.4 -24.1 -15.8 3.3 50 86 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 3,-0.5 0.932 102.1 53.1 -58.8 -46.5 -26.3 -15.7 6.5 51 87 A P H 3> S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.829 107.4 54.0 -57.1 -34.1 -29.3 -17.6 4.8 52 88 A I H S+ 0 0 0 -4,-1.8 5,-2.2 -3,-0.5 3,-0.4 0.927 111.3 51.5 -64.4 -44.4 -25.7 -20.6 7.5 54 90 A I H ><5S+ 0 0 48 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.895 107.0 52.7 -63.9 -38.4 -29.3 -20.7 8.6 55 91 A E H 3<5S+ 0 0 113 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.777 106.6 53.9 -69.7 -24.5 -30.2 -23.5 6.1 56 92 A N T 3<5S- 0 0 8 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.228 117.7-113.9 -91.3 13.7 -27.2 -25.6 7.5 57 93 A N T < 5 + 0 0 124 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.831 49.5 174.8 61.3 30.5 -28.7 -25.2 11.0 58 94 A V < - 0 0 5 -5,-2.2 -1,-0.2 1,-0.1 21,-0.2 -0.574 14.5-162.7 -66.1 136.1 -25.7 -23.1 12.2 59 95 A K + 0 0 128 -26,-0.5 21,-2.6 -2,-0.2 2,-0.4 0.473 63.6 41.0-106.6 -2.6 -26.8 -22.2 15.8 60 96 A C E -gh 34 80B 6 -27,-0.5 -25,-2.6 19,-0.2 2,-0.4 -0.994 58.4-177.7-150.4 134.5 -24.5 -19.3 16.6 61 97 A I E -gh 35 81B 0 19,-2.2 21,-2.7 -2,-0.4 2,-0.4 -0.999 10.2-155.3-135.8 144.5 -23.3 -16.4 14.6 62 98 A G E +gh 36 82B 0 -27,-2.4 -25,-2.9 -2,-0.4 -24,-0.3 -0.953 23.0 154.4-122.0 129.1 -20.9 -13.5 15.5 63 99 A V E - h 0 83B 0 19,-2.0 21,-2.0 -2,-0.4 22,-0.2 -0.768 32.9-139.1-133.4-173.3 -21.0 -10.1 13.8 64 100 A T + 0 0 21 -2,-0.2 2,-0.2 19,-0.2 21,-0.1 0.746 68.2 63.7-121.0 -39.3 -19.8 -6.6 14.9 65 101 A N S > S- 0 0 71 1,-0.1 4,-2.1 22,-0.0 3,-0.3 -0.652 72.5-124.7 -96.3 153.6 -22.2 -3.7 13.9 66 102 A N H > S+ 0 0 16 1,-0.2 4,-3.4 -2,-0.2 5,-0.2 0.890 114.3 58.5 -57.1 -40.6 -25.8 -3.0 14.9 67 103 A Q H > S+ 0 0 165 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 109.6 43.8 -51.0 -47.8 -26.7 -3.0 11.2 68 104 A E H > S+ 0 0 14 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.849 112.2 51.3 -67.1 -44.4 -25.4 -6.6 10.9 69 105 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.928 112.8 46.9 -57.7 -50.8 -27.1 -7.7 14.1 70 106 A K H X S+ 0 0 94 -4,-3.4 4,-3.2 1,-0.2 -2,-0.2 0.953 112.6 50.1 -54.1 -46.1 -30.4 -6.3 12.9 71 107 A E H X S+ 0 0 56 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.875 107.0 52.6 -63.1 -46.4 -29.9 -7.9 9.5 72 108 A V H <>S+ 0 0 0 -4,-2.4 5,-1.8 2,-0.2 -1,-0.2 0.901 113.2 44.6 -61.1 -37.0 -29.2 -11.3 10.9 73 109 A R H ><5S+ 0 0 50 -4,-1.7 3,-2.1 1,-0.2 -2,-0.2 0.933 110.4 54.9 -68.7 -49.2 -32.4 -11.2 13.0 74 110 A D H 3<5S+ 0 0 104 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.822 100.8 60.1 -51.3 -31.9 -34.4 -9.9 10.0 75 111 A L T 3<5S- 0 0 63 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.471 126.5-100.0 -81.5 1.8 -33.2 -12.9 7.9 76 112 A G T < 5 + 0 0 35 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.628 65.9 158.1 93.8 16.3 -34.9 -15.2 10.5 77 113 A F < + 0 0 7 -5,-1.8 -1,-0.3 1,-0.1 -18,-0.1 -0.652 11.2 175.0 -76.6 132.6 -31.9 -16.3 12.6 78 114 A K + 0 0 173 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.505 45.5 82.8-114.0 -17.1 -33.2 -17.4 16.0 79 115 A G S S- 0 0 20 -21,-0.2 2,-0.4 1,-0.2 -19,-0.2 0.308 92.3 -36.5 -84.7-149.8 -30.1 -18.7 17.7 80 116 A R E -h 60 0B 59 -21,-2.6 -19,-2.2 20,-0.0 2,-0.5 -0.566 55.0-168.5 -84.1 123.3 -27.3 -17.4 19.7 81 117 A L E -hi 61 100B 1 18,-0.5 20,-2.5 -2,-0.4 2,-0.4 -0.956 8.6-177.0-123.1 118.0 -26.2 -14.0 18.3 82 118 A M E -hi 62 101B 2 -21,-2.7 -19,-2.0 -2,-0.5 2,-0.6 -0.931 26.3-136.5-116.1 149.6 -22.9 -12.6 19.6 83 119 A R E -h 63 0B 1 18,-2.4 -19,-0.2 -2,-0.4 4,-0.1 -0.902 14.6-157.8-100.9 122.9 -20.9 -9.4 19.0 84 120 A V + 0 0 3 -21,-2.0 2,-0.3 -2,-0.6 -20,-0.1 -0.027 69.2 52.2 -99.0 29.1 -17.2 -10.3 18.6 85 121 A R S S- 0 0 62 -22,-0.2 18,-0.5 -21,-0.1 -22,-0.1 -0.972 94.0 -90.8-148.6 152.0 -15.9 -6.9 19.5 86 122 A N - 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