==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-FEB-13 3ZOT . COMPND 2 MOLECULE: RHOMBOID PROTEASE GLPG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.R.VINOTHKUMAR,O.A.PIERRAT,J.M.LARGE,M.FREEMAN . 178 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 77.0 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 . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 0 0 0 1 0 0 0 0 0 0 1 0 1 1 0 1 0 1 1 0 0 0 0 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 92 A R 0 0 295 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.4 9.6 -8.7 -29.8 2 93 A A - 0 0 25 4,-0.1 70,-0.1 1,-0.1 71,-0.1 -0.076 360.0-121.0 -35.5 122.7 9.2 -11.4 -32.5 3 94 A G > - 0 0 17 69,-0.2 4,-2.8 1,-0.1 5,-0.2 0.046 31.9 -87.7 -66.1 178.6 10.5 -14.8 -31.2 4 95 A P H > S+ 0 0 85 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.849 125.9 44.4 -63.0 -39.2 13.3 -16.8 -32.8 5 96 A V H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.934 116.1 47.5 -69.9 -45.8 11.1 -18.8 -35.3 6 97 A T H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.929 118.1 43.7 -55.9 -42.6 9.2 -15.6 -36.3 7 98 A W H X S+ 0 0 150 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.932 112.4 48.5 -72.9 -48.5 12.5 -13.8 -36.6 8 99 A V H X S+ 0 0 89 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.841 110.0 53.2 -65.7 -31.2 14.5 -16.5 -38.5 9 100 A M H X S+ 0 0 29 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.930 108.5 49.9 -69.5 -42.1 11.7 -17.0 -41.0 10 101 A M H X S+ 0 0 37 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.933 112.9 46.9 -59.8 -46.2 11.6 -13.3 -41.8 11 102 A I H X S+ 0 0 61 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.926 110.7 51.2 -61.5 -48.5 15.3 -13.2 -42.3 12 103 A A H X S+ 0 0 29 -4,-2.4 4,-2.6 1,-0.3 -1,-0.2 0.895 109.7 50.5 -57.4 -41.3 15.4 -16.3 -44.5 13 104 A C H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.3 0.864 112.0 48.1 -67.4 -31.6 12.7 -14.9 -46.6 14 105 A V H X S+ 0 0 67 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.955 112.0 47.6 -73.3 -50.7 14.7 -11.6 -47.0 15 106 A V H X S+ 0 0 85 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.922 113.4 48.5 -55.1 -46.2 17.9 -13.3 -47.9 16 107 A V H X S+ 0 0 17 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.881 110.9 50.9 -62.9 -35.9 16.1 -15.5 -50.4 17 108 A F H X S+ 0 0 24 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.829 108.7 51.1 -75.3 -30.9 14.4 -12.5 -51.9 18 109 A I H >X S+ 0 0 83 -4,-2.4 4,-2.9 2,-0.2 3,-0.9 0.969 107.7 53.3 -64.0 -53.8 17.7 -10.7 -52.2 19 110 A A H 3X S+ 0 0 29 -4,-2.5 4,-2.4 1,-0.3 5,-0.2 0.801 107.5 52.3 -46.8 -36.0 19.2 -13.8 -54.0 20 111 A M H 3X S+ 0 0 1 -4,-1.4 4,-1.6 2,-0.2 -1,-0.3 0.821 109.0 48.6 -76.9 -30.1 16.3 -13.6 -56.4 21 112 A Q H << S+ 0 0 112 -4,-1.2 -2,-0.2 -3,-0.9 -1,-0.2 0.943 117.0 42.6 -69.5 -48.0 17.0 -9.9 -57.1 22 113 A I H < S+ 0 0 127 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.880 131.2 22.2 -64.0 -39.8 20.7 -10.7 -57.7 23 114 A L H < S- 0 0 106 -4,-2.4 4,-0.4 -5,-0.2 -3,-0.2 0.536 110.2-106.2-110.3 -10.1 20.2 -13.9 -59.7 24 115 A G X - 0 0 28 -4,-1.6 4,-1.3 -5,-0.2 5,-0.2 0.076 32.7 -87.4 90.4 149.7 16.7 -13.7 -61.1 25 116 A D H > S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.934 120.9 53.9 -56.3 -53.0 13.6 -15.6 -60.1 26 117 A Q H > S+ 0 0 143 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.878 105.6 51.4 -52.7 -47.6 14.2 -18.7 -62.3 27 118 A E H > S+ 0 0 90 -4,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.857 113.6 43.9 -64.8 -36.5 17.7 -19.4 -61.1 28 119 A V H >X S+ 0 0 12 -4,-1.3 4,-2.0 -3,-0.4 3,-0.9 0.895 111.2 54.9 -74.6 -36.9 16.7 -19.4 -57.5 29 120 A M H 3X S+ 0 0 23 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.790 97.7 66.5 -62.0 -24.0 13.6 -21.4 -58.3 30 121 A L H 3< S+ 0 0 74 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.861 112.5 30.6 -67.6 -31.4 16.0 -23.9 -59.9 31 122 A W H << S+ 0 0 175 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.782 129.0 31.4 -94.7 -32.6 17.4 -24.7 -56.4 32 123 A L H < S+ 0 0 37 -4,-2.0 -3,-0.2 17,-0.1 -2,-0.1 0.588 88.4 107.2-110.4 -14.7 14.5 -24.1 -54.0 33 124 A A S < S- 0 0 0 -4,-1.4 3,-0.2 -5,-0.3 16,-0.1 -0.239 82.9 -80.2 -70.3 156.7 11.3 -25.0 -55.8 34 125 A W S S- 0 0 20 70,-0.5 -1,-0.1 72,-0.3 13,-0.1 -0.176 73.2 -75.1 -45.9 140.7 9.1 -28.1 -55.3 35 126 A P - 0 0 18 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 -0.270 53.5-178.5 -51.9 120.5 10.7 -31.0 -57.2 36 127 A F + 0 0 60 -3,-0.2 -2,-0.1 1,-0.1 69,-0.1 0.307 68.4 34.1-109.8 2.6 9.9 -30.3 -60.9 37 128 A D S > S- 0 0 84 1,-0.0 3,-2.3 0, 0.0 4,-0.3 -0.963 84.3-117.4-147.2 149.5 11.5 -33.4 -62.2 38 129 A P G > S+ 0 0 88 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.752 111.4 73.8 -57.2 -23.9 11.8 -36.9 -60.8 39 130 A T G 3 S+ 0 0 118 1,-0.2 3,-0.2 2,-0.1 0, 0.0 0.729 103.5 40.1 -52.5 -23.8 15.6 -36.3 -60.8 40 131 A L G X S+ 0 0 19 -3,-2.3 3,-2.8 1,-0.1 -1,-0.2 0.449 79.6 106.3-111.4 -4.3 14.9 -34.0 -57.9 41 132 A K T < S+ 0 0 92 -3,-1.0 -1,-0.1 -4,-0.3 -2,-0.1 0.704 81.9 51.8 -58.1 -20.9 12.3 -36.0 -55.9 42 133 A F T 3 S+ 0 0 144 -4,-0.3 2,-1.2 -3,-0.2 -1,-0.3 0.264 77.9 101.0-102.3 9.7 14.9 -36.9 -53.2 43 134 A E X - 0 0 59 -3,-2.8 3,-1.2 1,-0.2 4,-0.2 -0.784 58.7-172.3 -91.2 94.2 16.1 -33.3 -52.6 44 135 A F T > + 0 0 131 -2,-1.2 3,-1.2 1,-0.3 4,-0.2 0.649 68.9 68.8 -74.2 -21.5 14.0 -33.0 -49.5 45 136 A W T >> S+ 0 0 123 1,-0.2 4,-3.1 2,-0.2 3,-2.4 0.839 89.1 71.3 -62.9 -29.8 14.4 -29.3 -48.6 46 137 A R H <> S+ 0 0 11 -3,-1.2 4,-0.6 1,-0.3 -1,-0.2 0.672 82.3 66.9 -63.5 -22.4 12.3 -28.6 -51.7 47 138 A Y H <4 S+ 0 0 58 -3,-1.2 -1,-0.3 -4,-0.2 -2,-0.2 0.642 122.4 19.1 -71.4 -9.9 9.1 -29.9 -50.1 48 139 A F H X4 S+ 0 0 77 -3,-2.4 3,-2.1 -4,-0.2 -2,-0.2 0.695 108.3 72.7-123.0 -40.6 9.5 -26.9 -47.8 49 140 A T H >< S+ 0 0 22 -4,-3.1 3,-2.0 1,-0.3 4,-0.4 0.668 79.1 79.0 -65.8 -18.6 11.9 -24.2 -49.4 50 141 A H G >< S+ 0 0 5 -4,-0.6 58,-2.1 1,-0.3 3,-1.0 0.794 85.5 64.5 -55.5 -27.5 9.3 -23.1 -52.0 51 142 A A G < S+ 0 0 6 -3,-2.1 -1,-0.3 56,-0.2 -2,-0.2 0.682 92.3 63.4 -69.3 -18.7 7.7 -21.2 -49.1 52 143 A L G < S+ 0 0 34 -3,-2.0 2,-0.4 -4,-0.2 -1,-0.2 0.591 85.4 89.2 -85.3 -13.5 10.8 -19.0 -48.9 53 144 A M < - 0 0 0 -3,-1.0 2,-0.3 -4,-0.4 -40,-0.1 -0.701 49.5-179.0 -94.4 134.5 10.5 -17.4 -52.3 54 145 A H - 0 0 0 -2,-0.4 54,-0.1 -41,-0.2 -34,-0.1 -0.977 15.7-158.9-131.6 152.2 8.6 -14.3 -53.2 55 146 A F S S+ 0 0 70 -2,-0.3 2,-0.3 52,-0.1 -30,-0.1 0.634 70.5 25.7-110.1 -20.9 8.2 -12.7 -56.6 56 147 A S S > S- 0 0 60 1,-0.1 4,-1.7 0, 0.0 5,-0.2 -0.880 78.3-108.7-136.1 173.9 7.3 -9.0 -56.0 57 148 A L H > S+ 0 0 131 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.913 118.9 49.2 -68.2 -44.4 7.8 -6.4 -53.2 58 149 A M H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.785 105.6 59.9 -65.5 -29.8 4.2 -6.5 -52.2 59 150 A H H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.981 113.8 33.8 -64.7 -55.7 4.2 -10.3 -52.0 60 151 A I H X S+ 0 0 13 -4,-1.7 4,-2.6 1,-0.2 5,-0.2 0.854 118.1 55.0 -71.1 -33.0 6.9 -10.5 -49.4 61 152 A L H X S+ 0 0 114 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.947 114.3 37.1 -68.1 -49.7 5.8 -7.3 -47.6 62 153 A F H X S+ 0 0 53 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.923 118.2 50.7 -70.0 -41.9 2.2 -8.4 -47.0 63 154 A N H X S+ 0 0 17 -4,-2.2 4,-2.9 -5,-0.4 -2,-0.2 0.956 113.7 44.8 -57.6 -49.3 3.2 -12.0 -46.4 64 155 A L H X S+ 0 0 17 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.830 109.4 56.9 -66.7 -31.1 5.8 -11.1 -43.8 65 156 A L H X S+ 0 0 77 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.962 112.9 39.7 -63.2 -51.8 3.5 -8.5 -42.2 66 157 A W H X>S+ 0 0 16 -4,-2.3 4,-2.8 1,-0.2 5,-0.6 0.918 116.4 51.2 -63.3 -44.1 0.9 -11.2 -41.5 67 158 A W H X>S+ 0 0 0 -4,-2.9 4,-1.1 -5,-0.2 5,-1.0 0.917 110.5 49.2 -54.0 -48.3 3.5 -13.8 -40.6 68 159 A W H X5S+ 0 0 129 -4,-2.8 4,-0.6 3,-0.2 -2,-0.2 0.913 118.6 39.0 -61.6 -43.9 5.1 -11.3 -38.1 69 160 A Y H X5S+ 0 0 87 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.976 128.3 28.1 -73.2 -59.9 1.8 -10.5 -36.5 70 161 A L H X5S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.972 126.2 43.8 -68.8 -55.4 0.1 -13.9 -36.4 71 162 A G H XS+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.9 0.909 112.6 49.1 -51.1 -44.7 1.4 -17.8 -31.7 75 166 A E H X5S+ 0 0 11 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.906 115.1 44.4 -64.5 -39.7 5.1 -18.1 -30.8 76 167 A K H <5S+ 0 0 174 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.929 125.1 29.0 -72.7 -46.8 4.7 -15.7 -27.9 77 168 A R H <5S+ 0 0 125 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.755 136.8 22.3 -87.7 -26.7 1.5 -17.1 -26.4 78 169 A L H <5S- 0 0 45 -4,-2.5 4,-0.3 -5,-0.4 -3,-0.2 0.511 110.5-108.5-122.7 -11.9 1.7 -20.8 -27.4 79 170 A G X< - 0 0 27 -5,-0.9 4,-1.4 -4,-0.7 -1,-0.2 -0.062 26.6 -77.8 106.3 161.6 5.4 -21.3 -28.0 80 171 A S H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.805 120.6 58.6 -61.2 -38.1 8.0 -21.9 -30.8 81 172 A G H > S+ 0 0 47 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 104.0 51.4 -63.9 -45.2 7.1 -25.6 -31.3 82 173 A K H > S+ 0 0 55 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.942 111.4 47.1 -52.6 -53.0 3.5 -24.8 -32.1 83 174 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.909 110.8 53.5 -58.3 -45.1 4.5 -22.2 -34.8 84 175 A I H X S+ 0 0 72 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.922 111.2 44.8 -54.8 -47.6 7.1 -24.7 -36.2 85 176 A V H X S+ 0 0 66 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.935 111.9 50.0 -69.1 -45.1 4.5 -27.4 -36.7 86 177 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.925 115.2 46.8 -55.0 -43.9 1.8 -25.2 -38.1 87 178 A T H X S+ 0 0 12 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.927 112.2 47.7 -65.2 -49.9 4.3 -23.9 -40.6 88 179 A L H X S+ 0 0 79 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.934 117.6 41.2 -59.4 -47.1 5.8 -27.3 -41.6 89 180 A I H X S+ 0 0 76 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.910 116.2 47.1 -71.9 -42.5 2.4 -28.9 -42.2 90 181 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 5,-0.4 0.921 112.2 51.8 -66.7 -38.8 0.8 -25.9 -43.9 91 182 A A H X S+ 0 0 6 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.902 113.7 44.0 -61.8 -41.5 3.8 -25.5 -46.2 92 183 A L H X S+ 0 0 63 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.916 116.7 44.0 -70.1 -47.0 3.7 -29.1 -47.2 93 184 A L H X S+ 0 0 71 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.918 116.6 43.7 -71.7 -43.0 0.0 -29.4 -47.8 94 185 A S H X S+ 0 0 12 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.938 114.6 51.2 -67.5 -42.7 -0.5 -26.1 -49.7 95 186 A G H X S+ 0 0 1 -4,-1.7 4,-2.4 -5,-0.4 5,-0.2 0.913 110.8 50.8 -52.7 -43.0 2.7 -26.9 -51.7 96 187 A Y H X S+ 0 0 113 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.937 112.8 43.2 -61.9 -49.4 1.2 -30.3 -52.5 97 188 A V H X S+ 0 0 25 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.886 113.0 53.9 -67.4 -39.3 -2.2 -29.0 -53.6 98 189 A Q H X S+ 0 0 29 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.944 111.5 42.1 -61.2 -52.5 -0.6 -26.2 -55.6 99 190 A Q H X S+ 0 0 46 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.855 111.6 57.1 -65.9 -33.0 1.7 -28.4 -57.6 100 191 A K H < S+ 0 0 123 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.914 117.0 33.6 -62.6 -41.9 -1.1 -31.0 -58.1 101 192 A F H < S+ 0 0 144 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.745 140.0 9.3 -86.8 -25.5 -3.3 -28.5 -59.7 102 193 A S H < S- 0 0 78 -4,-2.2 3,-0.3 1,-0.3 -3,-0.2 0.225 103.2 -98.7-148.1 15.8 -0.8 -26.2 -61.5 103 194 A G < - 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