==== 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 HYDROLASE 04-DEC-12 3ZEB . COMPND 2 MOLECULE: RHOMBOID PROTEASE GLPG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.R.VINOTHKUMAR,O.VOSKYA,E.V.WOLF,A.J.BROUWER,R.M.J.LISKAMP, . 179 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 76.5 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 . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 61.5 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 0 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 0 297 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.0 3.0 -12.7 27.9 2 93 A A - 0 0 26 1,-0.1 70,-0.1 4,-0.1 67,-0.0 -0.356 360.0-118.0 -59.7 133.6 5.6 -13.4 30.7 3 94 A G > - 0 0 19 69,-0.2 4,-3.0 -2,-0.1 5,-0.2 -0.022 30.3 -88.2 -72.2 177.5 8.0 -16.2 29.6 4 95 A P H > S+ 0 0 91 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.838 124.5 42.2 -59.2 -40.6 8.6 -19.6 31.2 5 96 A V H > S+ 0 0 23 2,-0.2 4,-2.0 3,-0.2 5,-0.2 0.905 115.3 49.0 -73.8 -43.7 11.2 -18.6 33.8 6 97 A T H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.952 117.9 43.5 -57.4 -47.9 9.4 -15.3 34.8 7 98 A W H X S+ 0 0 153 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.923 111.5 49.9 -62.9 -51.0 6.2 -17.4 35.2 8 99 A V H X S+ 0 0 86 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.864 109.3 52.6 -65.9 -33.7 7.6 -20.4 37.0 9 100 A M H X S+ 0 0 26 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.878 110.4 48.2 -64.7 -39.5 9.4 -18.2 39.6 10 101 A M H X S+ 0 0 42 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.956 113.4 46.8 -64.7 -50.0 6.1 -16.4 40.3 11 102 A I H X S+ 0 0 69 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.942 112.6 49.7 -52.3 -53.7 4.2 -19.7 40.7 12 103 A A H X S+ 0 0 32 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.886 110.1 50.9 -58.1 -42.6 6.9 -21.2 42.9 13 104 A C H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.904 113.2 45.1 -63.0 -40.5 6.9 -18.1 45.1 14 105 A V H X S+ 0 0 67 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.958 111.9 51.4 -68.3 -47.3 3.1 -18.2 45.5 15 106 A V H X S+ 0 0 87 -4,-3.4 4,-2.9 1,-0.2 -2,-0.2 0.942 114.0 44.6 -51.8 -51.3 3.0 -22.0 46.1 16 107 A V H X S+ 0 0 17 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.878 112.2 51.9 -62.5 -42.3 5.7 -21.6 48.9 17 108 A F H X S+ 0 0 36 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.918 111.0 47.7 -62.0 -44.6 3.9 -18.6 50.4 18 109 A I H >X S+ 0 0 87 -4,-3.2 4,-2.2 2,-0.2 3,-1.0 0.981 110.7 51.8 -55.2 -54.0 0.7 -20.6 50.5 19 110 A A H 3X S+ 0 0 31 -4,-2.9 4,-2.6 1,-0.3 5,-0.5 0.846 107.0 54.9 -52.0 -37.5 2.6 -23.5 52.1 20 111 A M H 3X S+ 0 0 2 -4,-2.2 4,-1.2 3,-0.2 -1,-0.3 0.842 108.4 47.0 -66.3 -35.1 4.0 -21.0 54.7 21 112 A Q H << S+ 0 0 115 -4,-1.6 -2,-0.2 -3,-1.0 -1,-0.2 0.931 118.5 40.4 -71.1 -45.5 0.5 -19.8 55.7 22 113 A I H < S+ 0 0 132 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.946 130.5 25.3 -68.8 -51.8 -1.0 -23.4 56.0 23 114 A L H < S- 0 0 104 -4,-2.6 4,-0.2 -5,-0.2 -3,-0.2 0.716 115.0-106.5 -88.9 -20.9 2.1 -25.1 57.7 24 115 A G X - 0 0 21 -4,-1.2 4,-1.2 -5,-0.5 -1,-0.2 -0.164 25.7 -91.5 103.8 154.2 3.7 -22.1 59.4 25 116 A D H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.948 120.4 52.1 -64.5 -51.5 6.8 -20.1 58.5 26 117 A Q H > S+ 0 0 129 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.850 107.5 51.9 -58.0 -42.4 9.3 -22.1 60.7 27 118 A E H > S+ 0 0 97 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.839 109.8 48.3 -65.2 -37.6 8.2 -25.4 59.2 28 119 A V H >X S+ 0 0 11 -4,-1.2 4,-1.9 -3,-0.4 3,-1.0 0.896 107.9 56.8 -70.1 -37.1 8.7 -24.3 55.6 29 120 A M H 3X S+ 0 0 22 -4,-2.1 4,-2.7 1,-0.3 -2,-0.2 0.885 95.1 65.1 -60.2 -40.3 12.2 -22.9 56.6 30 121 A L H 3< S+ 0 0 86 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.805 114.0 32.8 -52.1 -32.5 13.3 -26.3 57.9 31 122 A W H << S+ 0 0 190 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.782 131.6 27.1 -93.0 -32.9 13.0 -27.6 54.3 32 123 A L H < S+ 0 0 35 -4,-1.9 -3,-0.2 17,-0.1 -2,-0.2 0.612 91.5 105.4-113.7 -14.6 14.0 -24.5 52.2 33 124 A A S < S- 0 0 0 -4,-2.7 3,-0.2 -5,-0.2 72,-0.1 -0.219 81.9 -83.6 -69.5 157.9 16.3 -22.3 54.3 34 125 A W S S- 0 0 23 70,-0.6 -1,-0.1 72,-0.3 13,-0.1 -0.257 71.4 -72.6 -52.5 140.6 20.0 -22.0 53.9 35 126 A P + 0 0 20 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 -0.163 52.9 175.7 -45.6 120.3 21.9 -24.8 55.7 36 127 A F + 0 0 71 -3,-0.2 -2,-0.1 1,-0.2 69,-0.1 0.336 68.3 46.0-108.9 -0.5 21.6 -24.2 59.4 37 128 A D S > S- 0 0 73 1,-0.1 3,-2.2 0, 0.0 4,-0.2 -0.992 83.7-122.7-140.0 141.6 23.3 -27.4 60.4 38 129 A P G > S+ 0 0 97 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.797 110.9 64.3 -48.7 -35.8 26.6 -29.0 59.0 39 130 A T G 3 S+ 0 0 110 1,-0.3 3,-0.3 2,-0.1 4,-0.0 0.680 98.0 55.1 -62.9 -20.0 24.5 -32.2 58.1 40 131 A L G X S+ 0 0 24 -3,-2.2 3,-1.6 1,-0.2 -1,-0.3 0.373 76.6 105.4 -93.7 6.3 22.5 -30.1 55.6 41 132 A K T < S+ 0 0 103 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.747 77.3 48.4 -65.0 -31.1 25.5 -28.8 53.7 42 133 A F T 3 S+ 0 0 146 -3,-0.3 2,-1.7 -4,-0.2 -1,-0.3 0.417 78.3 104.5 -92.1 0.6 25.1 -31.1 50.6 43 134 A E X - 0 0 60 -3,-1.6 3,-1.3 1,-0.2 4,-0.2 -0.626 56.6-172.4 -79.0 86.5 21.4 -30.3 50.1 44 135 A F G > + 0 0 132 -2,-1.7 3,-1.3 1,-0.3 4,-0.2 0.711 69.7 67.3 -65.9 -29.3 22.2 -28.0 47.2 45 136 A W G >> S+ 0 0 120 1,-0.2 4,-2.7 2,-0.2 3,-2.7 0.875 88.2 71.1 -55.4 -38.2 18.8 -26.4 46.6 46 137 A R G <4 S+ 0 0 12 -3,-1.3 4,-0.5 1,-0.3 -1,-0.2 0.656 85.7 63.5 -55.7 -24.4 19.0 -24.6 50.0 47 138 A Y G <4 S+ 0 0 53 -3,-1.3 -1,-0.3 -4,-0.2 48,-0.2 0.598 122.3 21.9 -74.4 -10.0 21.7 -22.2 48.7 48 139 A F T X4 S+ 0 0 65 -3,-2.7 3,-1.9 -4,-0.2 -2,-0.2 0.681 108.1 70.5-121.2 -38.5 18.9 -21.0 46.3 49 140 A T G >< S+ 0 0 21 -4,-2.7 3,-1.5 1,-0.3 4,-0.3 0.569 78.7 80.5 -73.5 -12.2 15.5 -21.8 47.6 50 141 A H G > S+ 0 0 4 -4,-0.5 58,-2.1 -5,-0.3 3,-1.1 0.807 84.4 66.8 -55.1 -26.0 15.7 -19.3 50.5 51 142 A A G < S+ 0 0 3 -3,-1.9 -1,-0.2 56,-0.3 -2,-0.2 0.692 93.1 58.7 -71.5 -14.9 14.7 -16.8 47.7 52 143 A L G < S+ 0 0 35 -3,-1.5 2,-0.5 56,-0.2 -1,-0.2 0.496 87.6 88.8 -92.5 -8.5 11.3 -18.5 47.4 53 144 A M < - 0 0 0 -3,-1.1 2,-0.3 -4,-0.3 -40,-0.1 -0.826 53.0-177.4 -96.3 127.0 10.2 -17.8 51.0 54 145 A H - 0 0 3 -2,-0.5 54,-0.1 -41,-0.2 -34,-0.1 -0.962 18.8-168.3-124.4 149.1 8.4 -14.6 52.0 55 146 A F S S+ 0 0 90 -2,-0.3 2,-0.4 52,-0.2 -1,-0.1 0.456 71.5 49.6-109.0 -8.5 7.3 -13.5 55.4 56 147 A S > - 0 0 41 1,-0.1 4,-1.8 0, 0.0 5,-0.2 -0.987 68.3-135.7-139.1 142.6 5.1 -10.5 54.5 57 148 A L H > S+ 0 0 112 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.929 107.2 53.5 -56.1 -46.5 2.3 -9.8 52.1 58 149 A M H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.873 108.0 46.2 -64.3 -42.3 3.9 -6.5 51.1 59 150 A H H > S+ 0 0 49 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.927 114.4 47.7 -69.8 -39.3 7.4 -7.9 50.2 60 151 A I H X S+ 0 0 11 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.943 113.5 49.5 -64.5 -42.5 6.0 -10.8 48.1 61 152 A L H X S+ 0 0 88 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.960 119.1 35.2 -59.0 -54.6 3.7 -8.4 46.3 62 153 A F H X S+ 0 0 91 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.902 115.0 55.8 -74.6 -35.2 6.3 -5.8 45.4 63 154 A N H X S+ 0 0 2 -4,-3.1 4,-2.7 -5,-0.3 -2,-0.2 0.949 112.0 44.8 -56.6 -46.1 9.1 -8.4 44.9 64 155 A L H X S+ 0 0 19 -4,-2.5 4,-3.0 -5,-0.3 -1,-0.2 0.794 109.0 55.8 -72.0 -29.1 7.0 -10.2 42.3 65 156 A L H X S+ 0 0 92 -4,-1.6 4,-2.2 -5,-0.2 -1,-0.2 0.946 112.6 41.7 -64.6 -50.0 5.9 -7.0 40.6 66 157 A W H X>S+ 0 0 24 -4,-2.5 4,-3.5 2,-0.2 5,-0.6 0.934 116.9 49.2 -60.9 -47.5 9.5 -5.9 40.0 67 158 A W H X>S+ 0 0 0 -4,-2.7 4,-1.4 -5,-0.2 5,-1.1 0.938 110.3 50.7 -54.2 -51.9 10.4 -9.5 39.0 68 159 A W H X5S+ 0 0 140 -4,-3.0 4,-0.7 3,-0.2 -1,-0.2 0.904 119.5 36.6 -53.7 -45.1 7.5 -9.7 36.7 69 160 A Y H X5S+ 0 0 112 -4,-2.2 4,-1.5 3,-0.2 -2,-0.2 0.949 128.4 29.4 -77.9 -51.8 8.5 -6.4 35.0 70 161 A L H X5S+ 0 0 1 -4,-3.5 4,-2.5 2,-0.2 -3,-0.2 0.934 124.7 45.8 -78.2 -47.0 12.3 -6.6 35.0 71 162 A G H XS+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.6 0.967 113.2 48.0 -57.8 -52.4 15.2 -9.6 30.4 75 166 A E H X5S+ 0 0 12 -4,-3.1 4,-1.3 3,-0.2 -2,-0.2 0.902 115.3 43.6 -53.8 -48.1 13.7 -12.9 29.4 76 167 A K H <5S+ 0 0 175 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.909 125.6 30.5 -68.6 -43.2 11.9 -11.5 26.3 77 168 A R H <5S+ 0 0 139 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.796 134.9 24.1 -90.6 -30.2 14.8 -9.4 25.0 78 169 A L H <5S- 0 0 42 -4,-3.2 4,-0.3 -5,-0.3 -3,-0.2 0.428 110.4-104.1-119.0 -2.3 17.9 -11.4 26.2 79 170 A G X< - 0 0 31 -4,-1.3 4,-1.1 -5,-0.6 -1,-0.2 -0.003 28.1 -84.7 97.3 159.5 16.6 -15.0 26.6 80 171 A S H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.817 119.9 60.1 -68.8 -38.6 15.6 -17.3 29.4 81 172 A G H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 101.9 54.8 -59.1 -43.7 19.1 -18.6 30.2 82 173 A K H > S+ 0 0 61 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.889 109.1 46.8 -54.3 -46.3 20.2 -15.0 30.9 83 174 A L H X S+ 0 0 0 -4,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.902 110.0 54.6 -66.3 -40.6 17.5 -14.6 33.5 84 175 A I H X S+ 0 0 70 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.934 110.3 44.6 -56.8 -47.4 18.3 -17.9 35.1 85 176 A V H X S+ 0 0 65 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.923 111.7 51.7 -70.7 -43.5 22.0 -17.1 35.6 86 177 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 5,-0.3 0.938 114.0 46.0 -54.3 -44.9 21.3 -13.7 37.0 87 178 A T H X S+ 0 0 13 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.941 113.7 46.8 -65.0 -48.8 18.8 -15.3 39.5 88 179 A L H X S+ 0 0 78 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.930 115.8 43.8 -62.7 -45.0 21.1 -18.1 40.5 89 180 A I H X S+ 0 0 73 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.944 116.6 45.3 -67.5 -44.0 24.2 -16.0 41.1 90 181 A S H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 5,-0.4 0.921 113.8 49.5 -70.2 -39.6 22.3 -13.1 42.9 91 182 A A H X S+ 0 0 3 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.927 114.3 46.3 -60.2 -44.0 20.4 -15.5 45.1 92 183 A L H X S+ 0 0 65 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.968 117.9 39.9 -66.7 -51.2 23.6 -17.4 46.0 93 184 A L H X S+ 0 0 72 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.923 117.4 47.3 -68.8 -40.9 25.7 -14.3 46.7 94 185 A S H X S+ 0 0 11 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.918 113.9 49.9 -65.8 -39.3 23.0 -12.4 48.5 95 186 A G H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.4 5,-0.3 0.943 109.6 50.9 -59.5 -48.4 22.2 -15.5 50.5 96 187 A Y H X S+ 0 0 115 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.926 113.1 44.5 -56.3 -49.3 25.9 -15.9 51.4 97 188 A V H X S+ 0 0 27 -4,-2.7 4,-1.5 2,-0.2 5,-0.3 0.939 112.5 52.4 -62.7 -44.9 26.2 -12.3 52.6 98 189 A Q H X S+ 0 0 34 -4,-2.7 4,-2.6 1,-0.2 3,-0.4 0.950 110.9 45.7 -56.0 -52.6 23.0 -12.5 54.6 99 190 A Q H X S+ 0 0 48 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.836 106.1 62.1 -62.8 -32.4 23.8 -15.6 56.5 100 191 A K H < S+ 0 0 119 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.901 118.8 23.4 -60.1 -44.4 27.3 -14.3 57.2 101 192 A F H < S+ 0 0 157 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.727 138.1 24.5 -97.0 -23.0 26.1 -11.3 59.3 102 193 A S H < S- 0 0 73 -4,-2.6 3,-0.3 1,-0.3 -3,-0.2 0.278 103.0-110.2-130.3 10.3 22.6 -12.4 60.4 103 194 A G < - 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