Protein Data Bank File : 1yaca Title : UNKNOWN BACTERIAL HYDROLASE 29-JUL-98 1YAC Number of Amino Acid Residues : 204 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 THR LYS PRO TYR VAL ARG LEU ASP LYS ASN 10 ASP ALA ALA VAL LEU LEU VAL ASP HIS GLN 20 ALA GLY LEU LEU SER LEU VAL ARG ASP ILE 30 GLU PRO ASP LYS PHE LYS ASN ASN VAL LEU 40 ALA LEU GLY ASP LEU ALA LYS TYR PHE ASN 50 LEU PRO THR ILE LEU THR THR SER ALA GLU 60 THR GLY PRO ASN GLY PRO LEU VAL PRO GLU 70 LEU LYS ALA GLN PHE PRO ASP ALA PRO TYR 80 ILE ALA ARG PRO GLY ASN ILE ASN ALA TRP 90 ASP ASN GLU ASP PHE VAL LYS ALA VAL LYS 100 ALA THR GLY LYS LYS GLN LEU ILE ILE ALA 110 GLY VAL VAL THR GLU VAL CYS VAL ALA PHE 120 PRO ALA LEU SER ALA ILE GLU GLU GLY PHE 130 ASP VAL PHE VAL VAL THR ASP ALA SER GLY 140 THR PHE ASN GLU ILE THR ARG HIS SER ALA 150 TRP ASP ARG MET SER GLN ALA GLY ALA GLN 160 LEU MET THR TRP PHE GLY VAL ALA CYS GLU 170 LEU HIS ARG ASP TRP ARG ASN ASP ILE ALA 180 GLY LEU ALA THR LEU PHE SER ASN HIS ILE 190 PRO ASP TYR ARG ASN LEU MET THR SER TYR 200 ASP THR LEU THR Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 THR 0.0 -136.3 178.0 -40.8 2 LYS -71.5 126.9 179.6 -69.4 -137.5 173.6 -178.1 3 PRO -69.8 149.4 177.3 -23.7 40.2 4 TYR -89.2 102.3 -179.9 172.1 15.7 5 VAL -88.1 88.1 -178.1 -179.4 6 ARG -97.6 149.1 179.9 58.2 169.3 170.4 179.9 7 LEU -56.0 136.6 -178.5 -72.0 170.3 8 ASP -124.3 115.5 -177.3 -179.8 -16.8 9 LYS -58.9 -12.5 177.9 64.1 170.7 -176.4 167.5 10 ASN -102.3 -3.7 180.0 -67.2 69.1 11 ASP -131.4 31.5 -178.3 -153.8 10.3 12 ALA -133.6 139.9 177.1 13 ALA -121.1 153.7 -179.6 14 VAL -111.7 129.2 178.6 176.4 15 LEU -113.2 116.3 179.7 -45.5 -169.9 16 LEU -106.9 106.4 -175.2 -57.9 -177.7 17 VAL -105.6 112.7 175.3 -166.1 18 ASP 58.3 37.4 176.2 -51.4 -12.3 19 HIS -80.5 74.3 -178.0 -72.5 100.7 20 GLN -101.8 150.5 -177.8 -65.5 161.0 -114.1 21 ALA -51.4 -47.0 179.4 22 GLY -69.5 -49.1 -179.0 23 LEU -59.2 -30.5 179.0 -65.5 175.7 24 LEU -63.6 -22.5 178.9 -70.2 -174.0 25 SER -70.5 -21.2 178.5 70.8 26 LEU -78.1 -19.5 -179.6 -60.7 -177.6 27 VAL -73.8 111.1 179.5 177.6 28 ARG -130.4 0.5 179.8 -66.7 178.6 176.1 -84.4 29 ASP -83.9 -18.3 177.5 74.2 -43.5 30 ILE -130.5 125.5 -178.2 -63.5 177.2 31 GLU -59.1 146.7 -178.3 73.9 90.8 15.8 32 PRO -53.0 -40.7 -179.3 30.0 -41.7 33 ASP -65.5 -45.4 177.4 -59.1 -32.2 34 LYS -66.1 -44.9 -179.1 178.1 177.2 -59.6 -55.6 35 PHE -60.6 -45.8 179.5 -163.5 60.9 36 LYS -59.9 -48.4 179.8 175.1 -165.3 173.9 -175.2 37 ASN -57.5 -44.7 -179.2 178.4 58.9 38 ASN -64.0 -44.3 178.8 -70.8 -9.4 39 VAL -63.0 -43.8 179.9 172.6 40 LEU -68.4 -31.7 179.2 -60.6 -175.9 41 ALA -64.5 -43.2 179.7 42 LEU -63.1 -44.8 177.8 -179.6 54.5 43 GLY -61.1 -44.0 -179.4 44 ASP -62.6 -39.0 -179.8 -77.5 4.6 45 LEU -71.6 -36.5 178.7 77.5 82.1 46 ALA -61.0 -43.3 179.0 47 LYS -67.6 -47.2 -179.7 177.2 107.3 -59.7 -171.3 48 TYR -56.6 -47.8 179.6 175.6 65.8 49 PHE -81.5 -0.7 179.5 -69.6 -68.4 50 ASN 57.6 43.4 -179.5 -87.9 107.5 51 LEU -89.4 134.4 179.2 -52.0 175.3 52 PRO -54.2 128.6 -177.1 -36.0 45.7 53 THR -122.0 139.8 -179.7 -59.3 54 ILE -121.4 124.5 179.0 -64.5 164.8 55 LEU -104.8 142.0 178.5 -52.8 175.5 56 THR -149.7 149.2 -179.5 -174.5 57 THR -136.5 160.1 -179.5 61.0 58 SER -118.3 120.7 178.6 172.1 59 ALA 38.7 51.4 -178.9 60 GLU -59.2 -17.4 178.7 63.6 -179.0 35.0 61 THR -98.7 62.0 -179.5 48.5 62 GLY -171.1 -160.3 -179.9 63 PRO -56.2 -32.1 -178.8 -28.6 42.5 64 ASN -56.1 -35.6 177.5 -74.3 4.6 65 GLY 81.4 171.5 -179.7 66 PRO -74.6 161.7 177.3 35.3 -43.5 67 LEU -64.2 141.9 179.0 -177.7 68.8 68 VAL -55.4 132.4 -179.1 -65.5 69 PRO -45.8 -39.2 -179.4 -30.9 44.4 70 GLU -55.3 -47.0 -178.7 -70.0 91.0 -12.6 71 LEU -66.3 -44.8 178.7 -61.7 177.3 72 LYS -57.4 -46.7 -179.7 -159.8 171.6 -54.6 154.7 73 ALA -67.2 -35.5 -178.0 74 GLN -75.8 -29.3 -178.9 -170.0 162.8 47.7 75 PHE -126.7 64.4 -179.5 -59.0 -77.6 76 PRO -64.7 -26.6 -179.5 31.4 -43.0 77 ASP -100.9 -0.3 -179.0 -66.3 -23.4 78 ALA -74.3 154.3 178.7 79 PRO -59.7 133.7 -179.6 -35.1 44.6 80 TYR -127.6 103.9 -178.2 -173.3 -60.7 81 ILE -103.8 104.1 178.0 -58.3 81.9 82 ALA -87.7 101.9 -179.3 83 ARG -77.8 121.1 -179.9 -41.5 -166.9 -55.4 -74.1 84 PRO -78.2 -18.2 -178.5 8.2 10.0 85 GLY -151.3 -38.1 -179.6 86 ASN -60.6 120.6 -179.2 -80.4 131.6 87 ILE -73.9 -50.0 176.2 -66.4 179.1 88 ASN -81.0 116.7 179.9 174.8 -2.4 89 ALA -54.8 -31.5 179.3 90 TRP -63.4 -20.9 177.9 -148.0 -96.2 91 ASP -79.0 -9.1 178.9 -79.2 -25.3 92 ASN -91.8 118.7 -178.4 178.7 -69.9 93 GLU -58.9 -39.7 178.7 -61.7 -176.8 -51.6 94 ASP -63.8 -38.7 -179.8 -79.6 -12.5 95 PHE -62.6 -53.1 -179.6 -178.3 81.9 96 VAL -59.2 -41.9 179.0 -177.6 97 LYS -58.3 -46.3 179.9 -105.6 -176.8 59.5 178.9 98 ALA -62.2 -43.6 179.4 99 VAL -60.3 -51.1 -179.7 173.2 100 LYS -65.3 -29.9 -179.9 -66.6 -176.3 176.6 -175.0 101 ALA -67.8 -20.0 179.2 102 THR -69.0 -25.6 -179.5 67.5 103 GLY 73.2 13.7 -178.7 104 LYS -95.8 135.8 179.6 -53.5 -51.1 177.3 -178.0 105 LYS -78.6 -32.3 -178.0 173.2 66.3 162.3 -167.9 106 GLN -99.7 136.6 179.5 -55.2 174.8 -24.3 107 LEU -122.6 124.6 178.4 -54.6 -177.8 108 ILE -100.5 114.7 -176.1 -63.3 166.2 109 ILE -118.4 139.9 178.0 -47.3 178.0 110 ALA -151.7 156.7 -178.8 111 GLY 164.5 -169.1 179.9 112 VAL -142.7 136.7 -0.3 2.1 113 VAL -87.2 149.0 -179.1 -62.8 114 THR -44.3 -48.4 -175.9 -40.7 115 GLU -79.2 -5.9 179.6 76.1 -84.7 24.7 116 VAL -122.9 -69.9 -177.7 172.0 117 CYS -68.1 -21.9 176.8 -59.6 118 VAL -96.8 -56.4 -178.6 173.8 119 ALA -56.7 -46.1 -177.6 120 PHE -58.2 -56.2 179.6 -65.2 2.3 121 PRO -67.4 -29.6 177.8 25.6 -40.3 122 ALA -61.3 -45.4 -179.1 123 LEU -66.9 -40.8 179.1 -61.8 174.9 124 SER -62.8 -44.0 -179.7 -68.1 125 ALA -64.2 -39.0 178.4 126 ILE -63.3 -43.2 179.2 -75.1 169.4 127 GLU -61.4 -34.4 179.5 175.1 176.4 -31.8 128 GLU -76.5 -4.7 178.7 -70.2 -125.2 21.1 129 GLY 99.4 4.7 179.1 130 PHE -80.5 154.9 175.4 -71.0 -89.4 131 ASP -93.3 116.3 -176.5 -72.7 -35.8 132 VAL -105.7 134.2 179.7 177.9 133 PHE -124.9 115.3 -179.2 -61.1 76.7 134 VAL -94.8 128.4 178.6 174.3 135 VAL -91.5 94.6 -175.6 -164.9 136 THR -67.3 -24.2 178.7 62.1 137 ASP -93.2 0.5 176.2 66.1 -12.0 138 ALA -117.9 12.6 178.2 139 SER -120.5 139.2 -177.2 -62.4 140 GLY -131.6 156.3 -179.2 141 THR -152.6 -174.4 -177.8 -179.0 142 PHE -58.6 -49.8 -176.0 -53.6 -83.3 143 ASN -161.6 -178.9 -178.4 53.8 64.1 144 GLU -64.0 -31.2 177.9 -70.2 -178.0 14.6 145 ILE -68.8 -46.4 -179.8 -68.2 178.8 146 THR -65.4 -35.5 178.3 59.4 147 ARG -67.8 -59.1 -177.6 176.9 178.6 75.4 -142.2 148 HIS -60.0 -33.5 177.4 -68.4 147.7 149 SER -63.6 -42.1 178.6 -71.2 150 ALA -65.7 -43.7 179.0 151 TRP -56.6 -47.7 -179.8 -77.9 15.6 152 ASP -57.6 -47.5 -179.1 -173.8 -86.5 153 ARG -62.1 -43.6 -180.0 -162.1 -178.4 -172.0 -159.4 154 MET -70.6 -42.2 179.2 -64.3 -178.0 -70.6 155 SER -62.8 -42.5 179.4 -174.4 156 GLN -55.7 -38.0 -179.3 179.2 176.1 64.0 157 ALA -80.5 -13.0 -179.8 158 GLY 111.2 5.2 178.4 159 ALA -71.6 143.0 177.2 160 GLN -94.0 124.0 -179.6 -66.1 -166.1 70.2 161 LEU -88.6 121.5 -179.6 -55.7 -173.0 162 MET -134.8 170.9 178.7 -77.8 -176.7 85.3 163 THR -125.7 157.6 -174.1 41.1 164 TRP -51.8 -43.5 -179.3 83.1 -101.0 165 PHE -64.6 -42.0 177.6 178.1 82.4 166 GLY -61.6 -42.7 178.5 167 VAL -58.0 -49.1 -179.5 170.4 168 ALA -59.9 -42.6 -178.7 169 CYS -68.5 -37.5 179.5 -72.7 170 GLU -71.3 -33.8 178.9 -158.9 163.1 -88.3 171 LEU -72.1 -44.3 -177.1 -75.1 166.7 172 HIS -70.1 -42.2 179.3 -156.7 -113.2 173 ARG 69.5 -45.8 -176.6 -58.7 -65.4 -177.5 80.1 174 ASP -141.9 125.3 179.5 -157.9 -55.7 175 TRP -54.1 -44.4 -178.5 -85.5 100.4 176 ARG -56.5 -17.0 178.7 -63.3 169.8 -64.4 178.2 177 ASN -65.2 -24.4 178.6 -68.7 -25.4 178 ASP 171.4 86.8 -179.3 177.5 18.0 179 ILE -61.3 -56.2 -178.8 -65.9 179.2 180 ALA -54.6 -42.0 -179.9 181 GLY -62.0 -50.5 -179.9 182 LEU -66.7 -41.5 179.6 -166.1 71.9 183 ALA -58.7 -39.1 179.4 184 THR -65.5 -44.3 179.4 -65.1 185 LEU -59.6 -46.1 -179.6 174.5 75.0 186 PHE -65.8 -46.4 179.9 -68.5 -8.3 187 SER -60.0 -38.5 179.9 -179.8 188 ASN -72.3 -20.3 -177.0 -67.3 -32.7 189 HIS -124.4 4.7 178.6 -61.4 -70.0 190 ILE -138.5 92.6 -180.0 -51.0 168.0 191 PRO -46.4 -41.9 -179.7 -36.6 44.5 192 ASP -61.4 -40.4 -179.7 -66.6 -39.9 193 TYR -70.6 -41.8 178.2 -160.5 71.1 194 ARG -57.6 -40.2 179.8 171.9 171.6 -77.5 -175.7 195 ASN -63.7 -40.8 177.8 -69.6 -22.4 196 LEU -62.2 -39.8 178.6 -69.1 179.9 197 MET -65.4 -46.1 179.2 -76.7 179.7 74.2 198 THR -55.4 -52.4 -179.3 -62.2 199 SER -60.3 -48.0 -179.6 -66.3 200 TYR -60.7 -45.1 179.9 -179.5 82.2 201 ASP -64.0 -41.8 -178.9 -72.7 -4.5 202 THR -72.3 -25.6 -179.8 78.2 203 LEU -83.0 -29.9 -178.2 -84.4 -173.4 204 THR -101.5 177.4 0.0 62.3 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 THR 32.809 1.611 -8.659 2 LYS 34.236 -1.130 -6.479 3 PRO 31.527 -3.797 -6.332 4 TYR 30.279 -4.768 -2.884 5 VAL 31.271 -8.474 -2.832 6 ARG 28.940 -9.565 -0.032 7 LEU 28.429 -12.969 1.564 8 ASP 25.763 -15.085 -0.074 9 LYS 24.412 -17.906 2.104 10 ASN 24.111 -20.031 -1.043 11 ASP 27.626 -19.432 -2.289 12 ALA 29.744 -19.682 0.871 13 ALA 31.662 -22.406 2.695 14 VAL 33.218 -22.176 6.154 15 LEU 36.787 -23.351 6.840 16 LEU 37.637 -23.901 10.518 17 VAL 41.400 -24.330 10.755 18 ASP 43.226 -25.776 13.767 19 HIS 41.021 -24.613 16.656 20 GLN 42.796 -27.240 18.771 21 ALA 42.929 -27.592 22.568 22 GLY 46.693 -27.199 22.821 23 LEU 46.919 -24.445 20.200 24 LEU 44.254 -22.353 21.942 25 SER 46.707 -21.829 24.839 26 LEU 48.912 -19.870 22.395 27 VAL 46.060 -17.429 21.718 28 ARG 46.705 -14.324 23.816 29 ASP 45.643 -11.496 21.499 30 ILE 41.967 -12.123 22.319 31 GLU 41.065 -13.058 25.928 32 PRO 39.724 -16.627 26.399 33 ASP 36.120 -15.972 27.466 34 LYS 35.529 -13.743 24.429 35 PHE 37.523 -16.045 22.130 36 LYS 35.612 -19.157 23.156 37 ASN 32.264 -17.401 22.675 38 ASN 33.307 -16.092 19.237 39 VAL 34.553 -19.460 17.961 40 LEU 31.346 -21.152 19.137 41 ALA 29.316 -18.311 17.618 42 LEU 30.984 -18.981 14.255 43 GLY 30.254 -22.687 14.501 44 ASP 26.622 -21.953 15.425 45 LEU 26.149 -19.570 12.506 46 ALA 27.708 -22.048 10.068 47 LYS 25.212 -24.622 11.308 48 TYR 22.298 -22.155 11.367 49 PHE 22.883 -20.993 7.790 50 ASN 23.591 -24.570 6.685 51 LEU 26.914 -23.664 5.095 52 PRO 29.142 -26.512 3.878 53 THR 31.824 -26.637 6.579 54 ILE 35.354 -28.053 6.529 55 LEU 37.302 -28.940 9.682 56 THR 41.065 -29.451 9.682 57 THR 43.754 -29.954 12.314 58 SER 47.532 -29.943 12.444 59 ALA 49.413 -32.809 14.122 60 GLU 46.572 -33.332 16.586 61 THR 48.308 -36.378 18.073 62 GLY 50.945 -34.278 19.741 63 PRO 51.233 -31.047 21.757 64 ASN 48.796 -29.312 19.364 65 GLY 46.007 -31.426 20.790 66 PRO 42.574 -32.498 19.511 67 LEU 40.024 -30.249 17.856 68 VAL 37.868 -28.624 20.542 69 PRO 34.949 -31.071 21.201 70 GLU 32.214 -28.557 20.349 71 LEU 33.206 -28.304 16.690 72 LYS 33.658 -32.054 16.304 73 ALA 30.221 -32.620 17.865 74 GLN 28.572 -29.887 15.791 75 PHE 29.826 -31.047 12.391 76 PRO 29.968 -34.863 12.620 77 ASP 29.506 -35.336 8.869 78 ALA 31.776 -32.515 7.694 79 PRO 35.083 -33.233 5.953 80 TYR 37.682 -33.626 8.702 81 ILE 41.247 -33.404 7.424 82 ALA 43.845 -34.249 10.075 83 ARG 46.984 -32.929 8.388 84 PRO 50.036 -34.950 9.445 85 GLY 52.541 -32.362 8.237 86 ASN 51.412 -29.536 5.947 87 ILE 51.339 -26.256 7.858 88 ASN 49.374 -24.362 5.181 89 ALA 46.130 -26.404 4.844 90 TRP 46.050 -25.461 1.158 91 ASP 49.178 -27.610 0.671 92 ASN 47.125 -30.664 1.725 93 GLU 45.470 -32.208 -1.354 94 ASP 42.511 -33.649 0.592 95 PHE 41.835 -30.230 2.094 96 VAL 41.732 -28.402 -1.262 97 LYS 39.587 -31.192 -2.746 98 ALA 37.069 -30.835 0.092 99 VAL 37.010 -27.042 -0.326 100 LYS 36.464 -27.241 -4.083 101 ALA 33.868 -30.005 -3.629 102 THR 31.631 -27.576 -1.737 103 GLY 31.228 -25.757 -5.047 104 LYS 31.257 -22.426 -3.183 105 LYS 32.992 -19.302 -4.505 106 GLN 33.178 -17.562 -1.102 107 LEU 35.239 -18.931 1.769 108 ILE 34.721 -17.795 5.361 109 ILE 37.939 -18.656 7.188 110 ALA 38.915 -18.677 10.877 111 GLY 41.488 -20.578 12.922 112 VAL 44.721 -20.477 14.917 113 VAL 47.245 -18.979 14.660 114 THR 45.952 -16.052 12.564 115 GLU 49.208 -15.351 10.696 116 VAL 49.820 -19.009 9.761 117 CYS 46.810 -21.321 9.769 118 VAL 44.433 -18.601 8.609 119 ALA 46.658 -16.345 6.484 120 PHE 48.484 -19.060 4.514 121 PRO 45.361 -20.789 3.161 122 ALA 43.586 -17.413 2.803 123 LEU 46.404 -16.195 0.522 124 SER 46.515 -19.501 -1.380 125 ALA 42.735 -19.381 -1.890 126 ILE 42.865 -15.781 -3.163 127 GLU 45.488 -16.840 -5.725 128 GLU 43.139 -19.644 -6.796 129 GLY 40.355 -17.136 -7.446 130 PHE 38.175 -17.538 -4.361 131 ASP 36.519 -14.616 -2.573 132 VAL 37.939 -14.829 0.941 133 PHE 36.358 -13.478 4.117 134 VAL 38.485 -13.742 7.287 135 VAL 36.677 -13.874 10.647 136 THR 39.188 -11.835 12.653 137 ASP 37.430 -12.234 15.988 138 ALA 37.257 -16.054 15.705 139 SER 40.965 -16.348 14.741 140 GLY 43.642 -16.080 17.416 141 THR 47.353 -15.504 17.760 142 PHE 50.208 -14.543 20.095 143 ASN 49.668 -10.781 20.342 144 GLU 48.479 -7.629 18.550 145 ILE 51.633 -7.341 16.459 146 THR 51.368 -10.891 15.054 147 ARG 47.665 -10.251 14.494 148 HIS 47.871 -6.806 12.846 149 SER 50.805 -7.860 10.650 150 ALA 48.635 -10.726 9.389 151 TRP 45.631 -8.408 8.828 152 ASP 47.806 -6.146 6.730 153 ARG 49.113 -9.092 4.716 154 MET 45.653 -10.587 4.089 155 SER 44.005 -7.239 3.299 156 GLN 46.902 -6.376 0.930 157 ALA 46.074 -9.590 -0.976 158 GLY 42.378 -8.790 -1.222 159 ALA 40.894 -10.665 1.753 160 GLN 37.836 -9.020 3.306 161 LEU 38.270 -8.683 7.079 162 MET 35.041 -9.401 8.913 163 THR 33.829 -10.391 12.380 164 TRP 31.271 -13.069 13.274 165 PHE 28.287 -10.817 13.984 166 GLY 28.924 -8.975 10.718 167 VAL 29.227 -12.338 8.905 168 ALA 25.866 -13.496 10.314 169 CYS 24.154 -10.236 9.319 170 GLU 25.515 -10.213 5.786 171 LEU 24.444 -13.847 5.340 172 HIS 20.957 -13.413 6.801 173 ARG 20.144 -10.151 4.986 174 ASP 16.598 -9.917 6.425 175 TRP 15.243 -10.557 9.911 176 ARG 11.922 -11.672 8.439 177 ASN 13.640 -14.682 6.863 178 ASP 13.590 -16.172 10.390 179 ILE 13.437 -13.780 13.356 180 ALA 13.526 -16.337 16.176 181 GLY 16.473 -18.192 14.671 182 LEU 18.745 -15.179 14.280 183 ALA 17.578 -13.787 17.624 184 THR 18.538 -17.070 19.302 185 LEU 22.019 -16.995 17.753 186 PHE 22.490 -13.411 18.948 187 SER 21.067 -14.030 22.420 188 ASN 23.363 -17.051 22.885 189 HIS 26.465 -15.095 21.890 190 ILE 25.960 -11.452 22.858 191 PRO 25.206 -10.966 26.600 192 ASP 24.162 -7.352 25.938 193 TYR 21.617 -8.430 23.329 194 ARG 20.290 -11.221 25.535 195 ASN 19.722 -8.602 28.281 196 LEU 17.758 -6.385 25.879 197 MET 15.644 -9.427 25.005 198 THR 15.044 -10.306 28.640 199 SER 13.794 -6.809 29.465 200 TYR 11.676 -6.586 26.313 201 ASP 10.213 -10.060 26.818 202 THR 9.219 -9.593 30.451 203 LEU 7.610 -6.251 29.611 204 THR 5.661 -7.404 26.560 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 S S S S/S S S S T T T 10 T/S S S S S S S S C H 20 H H H H H 3 3 C C C 30 H H H H H H H H H H 40 H H H H H H H H H H 50 S S S S S S S S S C 60 C C C S S S S H H H 70 H H H H H H C S S S 80 S S S S/S S S S T T T 90 T H H H H H H H H H 100 H H 3/S S S S/S S S S S 110 S S/P C C C H H H H H 120 H H H H H H H H H/S S 130 S S S S S/T T T T/S S S 140 S C H H H H H H H H 150 H H H H H H H H/S S S 160 S S S/H H H H H H H H 170 H H H C C C C H H H 180 H H H H H H H H H H/H 190 H H H H H H H H H H 200 H H H H Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 t T T 10 e E E E E E E e B 20 T g G G G G g S S 30 h H H H H H H H H H 40 H H H H H H H H h T 50 t e E E E E E E e T 60 T T T T t B h H H 70 H H H H h T T t e E 80 E E E S S S g G G 90 G h H H H H H H H H 100 H h T t e E E E E E 110 E e i I I I I h H H 120 H H H H H H H h T t 130 E E E E E e T t B 140 S h H H H H H H H 150 H H H H H H H h t E 160 E E h H H H H H H H 170 H H h g G G G h H H 180 H H H H H H H H H h 190 H H H H H H H H H H 200 H H H h Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 THR 0.0 0.0 88.8 2 LYS 2.4 1.4 79.5 3 PRO 25.6 20.6 79.6 4 TYR 55.9 30.9 80.6 5 VAL 61.6 51.9 74.5 6 ARG 105.5 50.5 71.7 7 LEU 147.8 100.0 27.7 8 ASP 55.4 50.1 73.0 9 LYS 81.8 47.2 70.5 10 ASN 22.1 18.3 79.7 11 ASP 65.0 58.8 63.6 12 ALA 72.6 100.0 46.3 13 ALA 72.6 100.0 42.5 14 VAL 118.8 100.0 33.2 15 LEU 147.8 100.0 26.1 16 LEU 146.8 99.3 33.7 17 VAL 118.8 100.0 46.2 18 ASP 110.5 100.0 50.3 19 HIS 150.2 100.0 32.6 20 GLN 148.6 100.0 47.1 21 ALA 34.0 46.8 57.9 22 GLY 15.2 43.5 75.8 23 LEU 126.4 85.5 59.0 24 LEU 106.2 71.9 47.4 25 SER 13.0 15.6 84.5 26 LEU 74.2 50.2 62.0 27 VAL 116.1 97.8 49.9 28 ARG 36.0 17.2 92.0 29 ASP 107.0 96.8 51.6 30 ILE 125.3 87.3 60.9 31 GLU 59.9 43.2 63.0 32 PRO 27.3 21.9 79.3 33 ASP 7.3 6.6 82.8 34 LYS 55.8 32.2 77.9 35 PHE 159.7 95.7 41.4 36 LYS 47.5 27.4 75.4 37 ASN 79.5 65.7 67.9 38 ASN 112.0 92.7 54.1 39 VAL 113.2 95.2 36.8 40 LEU 110.2 74.6 50.4 41 ALA 72.6 100.0 47.4 42 LEU 147.6 99.9 28.5 43 GLY 34.8 100.0 52.7 44 ASP 68.8 62.3 70.3 45 LEU 147.8 100.0 28.3 46 ALA 72.6 100.0 44.5 47 LYS 81.3 46.9 70.2 48 TYR 131.1 72.4 56.9 49 PHE 158.2 94.8 33.2 50 ASN 11.0 9.1 88.8 51 LEU 147.7 99.9 42.2 52 PRO 74.5 59.9 61.7 53 THR 105.6 98.8 40.5 54 ILE 143.1 99.7 34.5 55 LEU 146.7 99.3 37.2 56 THR 106.9 100.0 41.7 57 THR 106.8 99.9 50.6 58 SER 63.7 76.2 73.6 59 ALA 25.4 35.0 85.1 60 GLU 100.2 72.3 61.0 61 THR 0.3 0.3 84.4 62 GLY 13.9 39.9 67.8 63 PRO 4.1 3.3 84.1 64 ASN 85.0 70.3 58.2 65 GLY 26.2 75.4 64.0 66 PRO 52.9 42.5 70.0 67 LEU 147.8 100.0 41.2 68 VAL 101.4 85.3 41.7 69 PRO 36.0 28.9 76.7 70 GLU 65.2 47.0 52.8 71 LEU 147.6 99.9 34.7 72 LYS 95.7 55.2 63.6 73 ALA 10.2 14.0 81.4 74 GLN 107.8 72.6 55.8 75 PHE 156.9 94.1 42.2 76 PRO 50.3 40.4 87.0 77 ASP 0.0 0.0 85.1 78 ALA 62.1 85.5 54.1 79 PRO 65.7 52.8 61.4 80 TYR 129.6 71.6 57.5 81 ILE 126.2 87.9 51.9 82 ALA 38.9 53.6 71.6 83 ARG 208.6 99.8 53.0 84 PRO 26.0 20.9 86.6 85 GLY 0.0 0.0 79.7 86 ASN 62.2 51.5 74.2 87 ILE 38.7 27.0 74.6 88 ASN 100.9 83.5 60.2 89 ALA 72.6 100.0 42.7 90 TRP 190.4 92.9 38.9 91 ASP 38.7 35.0 80.8 92 ASN 102.2 84.5 50.8 93 GLU 0.0 0.0 88.2 94 ASP 27.6 25.0 72.1 95 PHE 166.8 100.0 28.6 96 VAL 97.6 82.1 53.7 97 LYS 27.1 15.6 85.2 98 ALA 58.9 81.1 47.3 99 VAL 118.8 100.0 26.6 100 LYS 80.5 46.4 69.2 101 ALA 12.7 17.5 83.0 102 THR 92.3 86.3 51.7 103 GLY 0.0 0.0 85.3 104 LYS 127.8 73.7 68.2 105 LYS 71.1 41.0 79.0 106 GLN 135.9 91.5 47.5 107 LEU 147.8 100.0 32.7 108 ILE 143.5 100.0 25.1 109 ILE 143.5 100.0 35.8 110 ALA 72.6 100.0 44.3 111 GLY 34.8 100.0 51.5 112 VAL 118.8 100.0 43.4 113 VAL 105.7 88.9 46.9 114 THR 106.0 99.1 44.2 115 GLU 103.6 74.8 45.6 116 VAL 81.0 68.2 46.3 117 CYS 88.9 89.6 60.3 118 VAL 118.8 100.0 44.1 119 ALA 72.0 99.1 41.9 120 PHE 105.8 63.4 61.9 121 PRO 124.5 100.0 48.0 122 ALA 72.6 100.0 34.3 123 LEU 116.0 78.5 55.2 124 SER 58.5 70.0 65.3 125 ALA 72.6 100.0 35.5 126 ILE 111.5 77.7 61.2 127 GLU 6.3 4.6 85.4 128 GLU 84.5 61.0 66.4 129 GLY 3.5 10.1 85.2 130 PHE 145.2 87.0 45.5 131 ASP 67.6 61.2 52.2 132 VAL 118.8 100.0 36.7 133 PHE 166.7 99.9 45.6 134 VAL 118.8 100.0 35.0 135 VAL 118.8 100.0 39.0 136 THR 100.6 94.1 41.6 137 ASP 80.5 72.8 56.9 138 ALA 72.6 100.0 41.6 139 SER 83.6 100.0 52.1 140 GLY 34.8 100.0 49.2 141 THR 106.9 100.0 53.0 142 PHE 87.0 52.1 66.1 143 ASN 51.6 42.7 64.7 144 GLU 42.9 31.0 78.1 145 ILE 6.5 4.6 86.3 146 THR 72.0 67.3 65.3 147 ARG 176.1 84.3 54.1 148 HIS 72.9 48.5 69.2 149 SER 23.2 27.8 74.1 150 ALA 69.5 95.8 45.8 151 TRP 134.1 65.4 54.9 152 ASP 21.6 19.5 79.8 153 ARG 83.1 39.8 69.1 154 MET 159.4 100.0 30.5 155 SER 38.1 45.6 73.3 156 GLN 23.1 15.6 85.8 157 ALA 45.1 62.1 59.2 158 GLY 3.1 8.8 80.5 159 ALA 72.6 100.0 43.8 160 GLN 86.0 57.9 61.5 161 LEU 112.3 76.0 50.0 162 MET 126.6 79.5 55.3 163 THR 48.3 45.2 73.9 164 TRP 194.4 94.8 37.3 165 PHE 77.8 46.6 51.7 166 GLY 10.2 29.4 66.3 167 VAL 118.8 100.0 25.6 168 ALA 72.6 100.0 33.4 169 CYS 54.9 55.3 57.7 170 GLU 113.7 82.0 53.2 171 LEU 147.8 100.0 32.8 172 HIS 140.8 93.8 48.7 173 ARG 129.9 62.2 75.3 174 ASP 66.2 59.9 79.3 175 TRP 105.8 51.6 58.6 176 ARG 33.4 16.0 84.1 177 ASN 60.0 49.6 74.1 178 ASP 51.8 46.8 75.0 179 ILE 45.8 31.9 66.7 180 ALA 3.2 4.4 79.1 181 GLY 20.3 58.2 68.4 182 LEU 143.1 96.8 36.4 183 ALA 59.9 82.5 43.4 184 THR 32.6 30.5 80.5 185 LEU 139.7 94.5 39.1 186 PHE 162.8 97.6 25.8 187 SER 70.5 84.4 56.8 188 ASN 72.2 59.7 69.4 189 HIS 138.2 92.0 53.9 190 ILE 101.0 70.4 46.0 191 PRO 26.8 21.5 81.4 192 ASP 5.2 4.7 78.7 193 TYR 112.6 62.2 47.2 194 ARG 91.7 43.9 79.6 195 ASN 31.1 25.8 78.8 196 LEU 33.7 22.8 76.6 197 MET 106.0 66.5 63.6 198 THR 31.9 29.9 69.4 199 SER 17.4 20.8 79.7 200 TYR 41.7 23.0 78.9 201 ASP 39.9 36.1 68.4 202 THR 26.7 24.9 73.1 203 LEU 21.7 14.7 85.7 204 THR 51.2 47.9 71.8