==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 28-APR-06 2GTV . COMPND 2 MOLECULE: CHORISMATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR B.R.VOGELI . 104 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 1 2 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 182 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.8 -17.5 -12.6 -4.1 2 2 X I > - 0 0 128 0, 0.0 2,-8.8 0, 0.0 3,-0.6 -0.721 360.0 -39.4-139.9-169.1 -14.6 -14.2 -2.1 3 3 X E T 3> S+ 0 0 135 1,-0.2 4,-1.5 -2,-0.2 3,-0.2 0.071 83.4 138.3 -51.7 46.5 -11.4 -13.1 -0.3 4 4 X K H 3> + 0 0 100 -2,-8.8 4,-1.5 1,-0.2 -1,-0.2 0.908 64.9 57.1 -63.5 -39.5 -11.0 -10.7 -3.2 5 5 X L H <> S+ 0 0 28 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.861 102.7 57.4 -59.9 -33.1 -9.9 -8.0 -0.8 6 6 X A H > S+ 0 0 36 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.970 103.4 49.0 -63.9 -53.2 -7.1 -10.3 0.3 7 7 X E H X S+ 0 0 100 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.849 106.8 60.4 -56.9 -30.3 -5.6 -10.8 -3.2 8 8 X I H X S+ 0 0 20 -4,-1.5 4,-1.6 1,-0.2 3,-0.3 0.952 103.9 46.6 -63.6 -47.3 -5.7 -7.0 -3.5 9 9 X R H X S+ 0 0 43 -4,-1.6 4,-1.4 -3,-0.3 -1,-0.2 0.793 106.4 61.7 -67.0 -22.5 -3.4 -6.5 -0.5 10 10 X K H X S+ 0 0 113 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.911 101.6 50.8 -70.4 -38.0 -1.1 -9.2 -2.0 11 11 X K H X S+ 0 0 105 -4,-1.6 4,-1.5 -3,-0.3 3,-0.3 0.925 106.1 55.3 -65.1 -40.2 -0.5 -7.0 -5.1 12 12 X I H X S+ 0 0 5 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.888 100.8 60.2 -60.5 -34.8 0.4 -4.1 -2.8 13 13 X D H X S+ 0 0 60 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.924 102.0 51.4 -60.4 -41.6 3.0 -6.3 -1.2 14 14 X E H X S+ 0 0 145 -4,-1.4 4,-0.9 -3,-0.3 -1,-0.2 0.865 114.2 44.5 -63.7 -32.1 4.7 -6.7 -4.6 15 15 X I H X S+ 0 0 31 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.803 104.7 64.1 -81.2 -28.7 4.7 -2.9 -4.8 16 16 X D H X S+ 0 0 5 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.962 104.8 44.1 -60.2 -50.9 5.9 -2.5 -1.2 17 17 X N H X>S+ 0 0 44 -4,-1.8 4,-0.8 1,-0.2 5,-0.6 0.893 109.5 59.2 -60.9 -37.6 9.2 -4.2 -2.0 18 18 X K H ><5S+ 0 0 58 -4,-0.9 3,-0.7 -5,-0.2 -1,-0.2 0.931 107.6 43.7 -60.2 -45.1 9.5 -2.1 -5.2 19 19 X I H 3<5S+ 0 0 33 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.806 112.2 54.0 -72.3 -25.3 9.4 1.2 -3.3 20 20 X L H 3<5S- 0 0 3 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.586 107.2-132.2 -83.4 -7.4 11.8 -0.1 -0.6 21 21 X K T <<5 + 0 0 79 -4,-0.8 -3,-0.2 -3,-0.7 -2,-0.1 0.978 41.6 165.4 55.9 79.1 14.2 -1.0 -3.5 22 22 X A S + 0 0 32 -2,-0.4 4,-1.3 1,-0.2 5,-0.2 -0.676 20.7 160.5-121.3 80.3 3.9 4.3 -8.8 31 31 X I H > S+ 0 0 77 -2,-0.5 4,-3.2 1,-0.2 5,-0.3 0.929 74.6 60.9 -65.4 -42.2 1.1 6.4 -7.0 32 32 X A H > S+ 0 0 73 1,-0.2 4,-4.1 2,-0.2 -1,-0.2 0.950 99.8 55.0 -50.5 -52.6 -1.5 5.2 -9.6 33 33 X E H > S+ 0 0 89 1,-0.2 4,-1.1 2,-0.2 5,-0.4 0.951 112.5 42.3 -47.6 -55.5 -1.0 1.6 -8.6 34 34 X R H X S+ 0 0 16 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.943 115.6 50.1 -58.8 -45.0 -1.7 2.4 -4.9 35 35 X N H X S+ 0 0 60 -4,-3.2 4,-1.7 2,-0.2 5,-0.2 0.929 106.0 60.2 -60.8 -41.2 -4.6 4.7 -6.0 36 36 X S H >X S+ 0 0 51 -4,-4.1 3,-1.7 -5,-0.3 4,-1.5 0.939 108.4 37.2 -49.8 -87.6 -6.0 1.8 -8.2 37 37 X L H 3X S+ 0 0 4 -4,-1.1 4,-3.2 1,-0.3 5,-0.4 0.809 109.2 73.5 -35.4 -31.5 -6.6 -0.9 -5.6 38 38 X A H 3X S+ 0 0 0 -4,-1.3 4,-1.8 -5,-0.4 -1,-0.3 0.954 104.3 31.9 -53.1 -54.6 -7.7 2.1 -3.4 39 39 X K H X S+ 0 0 81 -4,-1.8 4,-1.8 1,-0.2 3,-0.6 0.987 109.6 45.2 -54.6 -62.3 -16.2 -0.8 -3.4 44 44 X I H 3X S+ 0 0 22 -4,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.884 108.7 60.4 -50.4 -37.1 -15.7 -4.1 -1.5 45 45 X K H >X>S+ 0 0 15 -4,-2.9 5,-1.1 1,-0.2 3,-0.9 0.947 102.6 49.7 -59.3 -46.1 -15.7 -2.1 1.7 46 46 X N H X<5S+ 0 0 112 -4,-2.2 3,-0.9 -3,-0.6 -1,-0.2 0.908 111.5 48.9 -60.2 -38.3 -19.2 -0.8 1.1 47 47 X Q H 3<5S+ 0 0 117 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.652 106.7 57.9 -77.4 -10.5 -20.3 -4.4 0.5 48 48 X L H <<5S- 0 0 93 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.537 107.1-128.9 -94.1 -6.6 -18.5 -5.4 3.7 49 49 X G T <<5 + 0 0 65 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.955 66.6 114.5 61.6 50.7 -20.7 -2.9 5.7 50 50 X I S + 0 0 43 1,-0.1 4,-1.3 2,-0.0 3,-0.3 -0.398 13.3 176.6-167.8 82.8 -9.0 1.3 8.8 55 55 X P H >> S+ 0 0 75 0, 0.0 4,-2.6 0, 0.0 3,-1.2 0.978 78.4 68.9 -54.9 -63.1 -5.9 2.1 10.9 56 56 X E H 3> S+ 0 0 153 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.811 102.8 47.8 -21.1 -61.9 -5.3 -1.5 12.1 57 57 X R H 3> S+ 0 0 47 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.947 112.4 48.4 -51.1 -49.1 -4.5 -2.3 8.5 58 58 X E H S+ 0 0 2 -4,-2.8 5,-0.7 -5,-0.3 4,-0.6 0.965 106.5 40.6 -58.3 -51.7 13.5 -2.3 5.9 70 70 X K H <5S+ 0 0 121 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.874 110.1 63.9 -65.1 -34.3 16.1 -4.3 7.9 71 71 X E H <5S+ 0 0 136 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.984 116.7 23.0 -55.2 -68.0 16.2 -6.9 5.2 72 72 X H H <5S- 0 0 36 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.454 94.3-144.3 -81.8 3.8 17.6 -4.8 2.3 73 73 X N T <5 + 0 0 134 -4,-0.6 -3,-0.2 -5,-0.3 -4,-0.1 0.843 54.8 138.7 37.6 38.5 19.1 -2.4 4.9 74 74 X V S S+ 0 0 113 -2,-0.2 4,-1.6 -3,-0.1 3,-0.3 0.179 84.5 15.2-141.1 -94.7 14.7 3.1 8.2 77 77 X N H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.905 121.4 61.0 -61.0 -40.5 12.5 6.1 9.2 78 78 X I H > S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.919 104.5 49.8 -54.6 -42.0 12.7 7.5 5.6 79 79 X G H > S+ 0 0 0 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.949 111.1 47.5 -64.0 -47.3 11.0 4.4 4.2 80 80 X I H X S+ 0 0 41 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.924 108.1 55.5 -62.5 -42.7 8.1 4.4 6.7 81 81 X K H X S+ 0 0 122 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.890 106.0 52.7 -58.3 -37.7 7.5 8.1 6.1 82 82 X I H X S+ 0 0 36 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.931 105.1 53.4 -66.4 -43.5 7.1 7.5 2.4 83 83 X F H X S+ 0 0 7 -4,-1.7 4,-2.2 1,-0.2 3,-0.4 0.941 103.2 57.2 -58.4 -45.3 4.5 4.7 2.9 84 84 X Q H X S+ 0 0 103 -4,-1.8 4,-2.5 1,-0.3 -1,-0.2 0.913 103.4 54.5 -53.1 -41.0 2.3 7.0 5.0 85 85 X R H X S+ 0 0 184 -4,-1.3 4,-1.7 1,-0.2 -1,-0.3 0.917 106.8 51.0 -61.0 -40.0 2.2 9.4 2.1 86 86 X L H X S+ 0 0 27 -4,-1.6 4,-1.1 -3,-0.4 -1,-0.2 0.910 110.2 49.1 -64.9 -39.9 0.9 6.5 -0.2 87 87 X I H X S+ 0 0 36 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.931 105.1 58.8 -66.6 -42.7 -1.9 5.7 2.3 88 88 X E H X S+ 0 0 122 -4,-2.5 4,-2.9 1,-0.3 5,-0.2 0.971 110.3 40.7 -50.9 -59.0 -3.0 9.3 2.6 89 89 X H H X S+ 0 0 42 -4,-1.7 4,-1.5 1,-0.2 -1,-0.3 0.791 113.3 58.6 -63.2 -22.0 -3.7 9.6 -1.2 90 90 X N H X S+ 0 0 12 -4,-1.1 4,-1.1 -5,-0.2 -2,-0.2 0.942 112.7 36.3 -72.6 -45.9 -5.2 6.1 -0.8 91 91 X K H X S+ 0 0 54 -4,-3.1 4,-2.2 2,-0.2 5,-0.3 0.969 114.1 57.4 -70.3 -53.1 -7.8 7.2 1.8 92 92 X A H X S+ 0 0 53 -4,-2.9 4,-1.8 -5,-0.3 5,-0.2 0.928 115.1 34.8 -42.5 -62.3 -8.4 10.6 0.2 93 93 X L H X S+ 0 0 35 -4,-1.5 4,-3.0 -5,-0.2 -1,-0.3 0.788 110.3 67.3 -71.3 -21.4 -9.4 9.3 -3.2 94 94 X Q H X S+ 0 0 11 -4,-1.1 4,-2.3 -5,-0.2 5,-0.2 0.979 106.8 38.0 -61.4 -53.5 -11.1 6.3 -1.6 95 95 X K H X S+ 0 0 77 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.923 118.9 49.0 -65.0 -42.5 -13.8 8.4 0.1 96 96 X Q H X S+ 0 0 133 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.899 110.5 52.4 -65.1 -37.3 -14.1 10.7 -2.9 97 97 X Y H X S+ 0 0 54 -4,-3.0 4,-1.4 2,-0.2 -2,-0.2 0.968 112.0 43.3 -63.5 -52.1 -14.3 7.6 -5.2 98 98 X L H X S+ 0 0 14 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.901 115.3 50.6 -62.5 -38.5 -17.2 6.0 -3.3 99 99 X E H X S+ 0 0 72 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.895 107.0 53.6 -67.0 -38.5 -18.9 9.4 -3.0 100 100 X E H X S+ 0 0 79 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.802 107.8 51.4 -69.0 -24.5 -18.6 10.1 -6.7 101 101 X T H < S+ 0 0 47 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.836 104.4 56.3 -80.6 -30.8 -20.3 6.7 -7.4 102 102 X L H < S+ 0 0 131 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.847 100.7 60.3 -69.1 -29.8 -23.3 7.5 -5.1 103 103 X E H < 0 0 150 -4,-1.3 -1,-0.2 0, 0.0 -2,-0.2 0.961 360.0 360.0 -62.5 -50.3 -23.9 10.7 -7.1 104 104 X H < 0 0 187 -4,-1.0 -3,-0.0 0, 0.0 0, 0.0 0.040 360.0 360.0 -69.2 360.0 -24.6 8.8 -10.3