Protein Data Bank File : 1han Title : OXIDOREDUCTASE (OXYGENASE) 30-AUG-95 1HAN Number of Amino Acid Residues : 288 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 SER ILE ARG SER LEU GLY TYR MET GLY PHE 10 ALA VAL SER ASP VAL ALA ALA TRP ARG SER 20 PHE LEU THR GLN LYS LEU GLY LEU MET GLU 30 ALA GLY THR THR ASP ASN GLY ASP LEU PHE 40 ARG ILE ASP SER ARG ALA TRP ARG ILE ALA 50 VAL GLN GLN GLY GLU VAL ASP ASP LEU ALA 60 PHE ALA GLY TYR GLU VAL ALA ASP ALA ALA 70 GLY LEU ALA GLN MET ALA ASP LYS LEU LYS 80 GLN ALA GLY ILE ALA VAL THR THR GLY ASP 90 ALA SER LEU ALA ARG ARG ARG GLY VAL THR 100 GLY LEU ILE THR PHE ALA ASP PRO PHE GLY 110 LEU PRO LEU GLU ILE TYR TYR GLY ALA SER 120 GLU VAL PHE GLU LYS PRO PHE LEU PRO GLY 130 ALA ALA VAL SER GLY PHE LEU THR GLY GLU 140 GLN GLY LEU GLY HIS PHE VAL ARG CYS VAL 150 PRO ASP SER ASP LYS ALA LEU ALA PHE TYR 160 THR ASP VAL LEU GLY PHE GLN LEU SER ASP 170 VAL ILE ASP MET LYS MET GLY PRO ASP VAL 180 THR VAL PRO ALA TYR PHE LEU HIS CYS ASN 190 GLU ARG HIS HIS THR LEU ALA ILE ALA ALA 200 PHE PRO LEU PRO LYS ARG ILE HIS HIS PHE 210 MET LEU GLU VAL ALA SER LEU ASP ASP VAL 220 GLY PHE ALA PHE ASP ARG VAL ASP ALA ASP 230 GLY LEU ILE THR SER THR LEU GLY ARG HIS 240 THR ASN ASP HIS MET VAL SER PHE TYR ALA 250 SER THR PRO SER GLY VAL GLU VAL GLU TYR 260 GLY TRP SER ALA ARG THR VAL ASP ARG SER 270 TRP VAL VAL VAL ARG HIS ASP SER PRO SER 280 MET TRP GLY HIS LYS SER VAL ARG Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 SER 0.0 134.0 -179.5 -49.9 2 ILE -67.2 130.7 -179.8 -65.7 167.8 3 ARG -97.0 -31.7 -179.4 -62.4 -64.4 -145.9 80.0 4 SER -176.3 172.6 174.1 66.8 5 LEU -83.5 122.4 -177.7 170.5 63.8 6 GLY -98.1 -42.2 179.9 7 TYR -152.2 164.9 179.2 54.7 67.5 8 MET -141.5 148.4 177.7 -67.3 -171.0 -66.2 9 GLY -128.0 136.9 178.9 10 PHE -116.3 143.0 178.9 -68.3 -89.1 11 ALA -114.9 109.4 -175.2 12 VAL -123.8 157.6 -179.6 -49.8 13 SER -80.6 -26.6 -179.8 64.5 14 ASP -125.8 91.2 -178.9 -167.4 -12.2 15 VAL -66.5 -34.0 -179.5 170.2 16 ALA -68.4 -40.6 179.6 17 ALA -62.6 -41.3 179.2 18 TRP -64.6 -42.2 -179.7 -94.1 84.2 19 ARG -59.0 -49.6 -179.9 -175.4 -179.4 -56.5 117.0 20 SER -62.9 -42.1 179.7 166.6 21 PHE -63.3 -50.3 -179.1 -178.6 74.7 22 LEU -63.1 -43.4 -178.4 -68.3 179.1 23 THR -82.3 -51.7 -177.5 58.5 24 GLN -77.6 -33.2 179.8 -55.9 -174.4 -50.3 25 LYS -91.2 -52.0 -177.8 -60.2 -71.5 -164.8 -82.6 26 LEU -87.5 -20.2 178.1 -56.7 -170.1 27 GLY 85.0 20.0 178.5 28 LEU -74.0 162.4 -179.4 -82.2 68.6 29 MET -99.2 128.0 178.6 173.7 -175.1 -165.1 30 GLU -70.3 125.3 -177.4 -163.8 174.4 -16.5 31 ALA -115.1 20.2 178.9 32 GLY 97.7 171.3 -179.2 33 THR -121.6 132.3 180.0 -54.0 34 THR -134.9 -169.6 177.7 61.6 35 ASP -73.3 -5.7 176.7 62.8 -42.5 36 ASN -89.8 -8.5 179.7 -163.4 40.9 37 GLY 107.7 -167.7 176.9 38 ASP -74.8 126.9 -177.6 -91.5 27.8 39 LEU -104.9 142.7 -178.7 -54.3 179.0 40 PHE -132.1 141.6 -179.0 -63.5 86.1 41 ARG -117.7 155.9 176.2 -66.4 176.6 54.5 -162.5 42 ILE -136.7 -3.5 -179.8 55.6 170.9 43 ASP -159.3 -153.1 -178.0 64.7 4.6 44 SER -71.5 -20.8 179.8 60.5 45 ARG -64.3 147.3 179.5 -65.0 -63.9 176.1 81.1 46 ALA -54.1 -32.2 177.3 47 TRP -168.2 154.8 177.6 65.2 -77.0 48 ARG -127.2 -31.5 179.6 -73.6 -70.7 -163.5 171.2 49 ILE -126.9 131.9 177.5 -66.4 178.4 50 ALA -117.0 137.1 179.4 51 VAL -119.7 120.6 -178.9 176.2 52 GLN -121.4 154.5 179.0 -42.1 174.2 -29.3 53 GLN -74.5 134.3 -179.6 -150.1 -66.7 -49.9 54 GLY -168.9 163.0 -178.1 55 GLU -86.8 -24.1 -177.7 -40.9 -50.2 -70.7 56 VAL -66.9 -27.4 -178.1 -57.8 57 ASP 52.4 59.3 -175.9 -97.9 -42.4 58 ASP -164.7 -179.7 176.9 -155.6 -16.9 59 LEU -66.0 125.1 -179.6 179.0 68.6 60 ALA -93.3 -35.3 178.7 61 PHE -165.3 159.1 178.7 60.3 86.6 62 ALA -136.2 141.7 -179.3 63 GLY -116.6 128.3 179.0 64 TYR -101.9 138.4 -176.5 -71.1 -68.8 65 GLU -100.7 133.6 175.4 -177.9 173.8 -68.1 66 VAL -111.6 163.1 -177.0 -68.4 67 ALA -69.2 -33.5 -175.9 68 ASP -163.1 -172.7 -178.9 50.2 27.3 69 ALA -63.1 -34.5 179.0 70 ALA -65.7 -43.7 178.9 71 GLY -60.1 -39.8 179.8 72 LEU -63.9 -45.1 179.1 -169.9 60.0 73 ALA -58.6 -46.0 178.7 74 GLN -54.4 -54.6 -178.6 -82.8 -175.7 -7.5 75 MET -59.9 -43.2 179.6 -65.6 -47.7 -62.3 76 ALA -59.0 -42.4 -179.4 77 ASP -65.3 -44.2 179.8 -177.2 60.1 78 LYS -60.6 -40.8 -179.6 -150.9 169.5 -177.2 176.2 79 LEU -68.9 -41.0 179.3 -73.2 159.3 80 LYS -63.5 -46.5 179.8 -73.1 -171.1 -71.5 -177.6 81 GLN -63.3 -15.5 179.5 -72.8 -58.5 -80.9 82 ALA -96.4 -2.0 -179.8 83 GLY 81.3 21.7 179.8 84 ILE -91.7 135.7 179.3 -53.4 -63.7 85 ALA -73.2 110.7 -179.9 86 VAL -111.4 140.0 179.2 -172.0 87 THR -121.4 128.7 177.8 -60.9 88 THR -76.8 115.5 -180.0 -59.9 89 GLY -52.5 135.7 -179.7 90 ASP -80.9 163.3 -179.5 92.8 -67.6 91 ALA -49.6 -38.4 -179.6 92 SER -61.9 -44.8 179.9 168.6 93 LEU -67.6 -44.5 179.2 -177.5 58.9 94 ALA -57.3 -40.0 179.7 95 ARG -69.0 -41.3 179.6 -74.6 -174.8 -178.5 109.5 96 ARG -61.9 -37.3 -179.6 -179.0 178.2 -56.0 108.9 97 ARG -83.9 -16.1 -178.7 -62.5 -68.7 -169.5 -110.4 98 GLY 74.7 30.8 -179.8 99 VAL -115.2 167.9 -179.4 -57.6 100 THR -82.1 -44.1 178.9 -56.7 101 GLY -154.4 147.7 179.1 102 LEU -157.0 157.8 176.8 82.3 166.2 103 ILE -126.8 146.6 -178.7 59.7 -179.5 104 THR -121.9 150.7 -179.6 60.8 105 PHE -171.2 -171.7 -178.6 55.8 -77.2 106 ALA -136.8 156.5 178.1 107 ASP -79.3 168.8 -178.7 82.3 -12.1 108 PRO -50.7 -17.1 -178.2 -28.1 43.3 109 PHE -117.9 23.0 176.1 -47.8 -77.5 110 GLY 90.8 6.6 178.2 111 LEU -83.7 122.0 179.4 174.2 65.9 112 PRO -67.1 128.5 179.6 -28.7 44.4 113 LEU -124.8 152.8 179.2 -66.1 178.1 114 GLU -137.5 140.1 177.1 -52.3 179.8 -14.2 115 ILE -120.0 128.2 -176.5 -70.0 -173.2 116 TYR -142.4 172.3 174.2 71.6 -84.7 117 TYR -144.7 159.8 177.5 79.0 -80.7 118 GLY 68.8 52.0 178.4 119 ALA -72.8 167.8 -178.1 120 SER -92.4 134.3 177.6 -57.7 121 GLU -103.1 151.2 177.6 -65.8 -82.0 29.4 122 VAL -138.0 59.3 178.7 -62.1 123 PHE -60.8 -26.3 179.8 -73.2 -75.3 124 GLU -73.2 -10.2 177.2 69.7 -85.5 25.1 125 LYS -122.7 79.8 -178.9 -63.9 -179.3 178.7 -175.5 126 PRO -51.8 133.7 179.9 26.1 -39.1 127 PHE -57.8 127.9 177.6 173.6 71.8 128 LEU -133.0 111.5 -179.3 177.3 61.7 129 PRO -65.1 153.7 -179.9 32.7 -41.9 130 GLY -77.9 -9.9 178.9 131 ALA -149.2 167.2 -179.0 132 ALA -67.0 99.1 178.8 133 VAL -135.7 125.1 -179.1 -179.2 134 SER -65.5 -28.3 179.0 75.0 135 GLY 161.7 160.7 178.3 136 PHE -110.4 147.2 179.6 -70.7 89.4 137 LEU -95.0 110.7 178.4 -106.9 81.3 138 THR -128.5 -99.4 178.6 55.5 139 GLY 57.0 -136.0 -178.8 140 GLU -67.1 -12.9 178.9 61.7 -171.9 -65.4 141 GLN -88.2 -2.7 178.8 -68.8 -176.4 36.4 142 GLY 70.4 -163.1 -177.6 143 LEU -61.9 -45.3 -178.6 178.2 49.4 144 GLY 157.1 -134.4 178.2 145 HIS -151.7 168.9 175.9 66.6 -131.0 146 PHE -149.0 153.5 -179.4 64.6 70.4 147 VAL -104.5 116.9 -179.1 179.7 148 ARG -89.1 121.3 177.7 177.9 72.5 170.0 109.6 149 CYS -86.5 133.6 -178.1 -67.7 150 VAL -139.0 155.6 179.3 -61.1 151 PRO -81.5 -23.1 -179.2 30.3 -41.0 152 ASP -138.9 104.2 -178.5 -178.4 -7.4 153 SER -65.3 -34.5 -178.8 -77.8 154 ASP -71.2 -36.6 178.1 -60.5 -49.5 155 LYS -68.3 -41.9 179.0 -172.9 -178.7 177.3 -166.1 156 ALA -64.8 -43.4 179.5 157 LEU -58.9 -46.6 -179.7 -95.8 -171.6 158 ALA -57.9 -43.5 178.9 159 PHE -66.2 -53.5 -178.5 173.6 77.3 160 TYR -66.8 -31.2 179.2 -74.9 -76.9 161 THR -94.0 -51.8 -179.1 62.2 162 ASP -69.2 -40.7 179.7 -58.2 -32.3 163 VAL -91.9 -54.0 -178.5 -174.3 164 LEU -79.5 -14.1 177.8 -68.5 -171.5 165 GLY 83.9 11.0 178.8 166 PHE -68.5 150.7 179.8 -77.3 85.0 167 GLN -113.6 144.2 -179.9 -60.1 -56.3 -71.7 168 LEU -73.5 133.0 177.3 -175.8 67.8 169 SER -96.1 -58.0 -178.8 -66.2 170 ASP -165.6 177.5 -179.3 45.5 48.2 171 VAL -132.0 142.5 176.9 -177.6 172 ILE -122.4 122.7 178.2 -64.2 -176.3 173 ASP -86.1 97.6 -178.3 -79.1 -33.5 174 MET -77.4 109.9 178.6 -60.3 -67.5 -71.9 175 LYS -81.6 106.2 -179.5 -59.8 -177.7 -177.2 -178.9 176 MET -104.4 39.2 -179.8 -73.2 166.4 47.8 177 GLY 132.0 173.4 -179.8 178 PRO -63.8 -42.3 -177.7 -23.8 40.8 179 ASP -96.1 2.2 -178.5 -142.8 4.7 180 VAL -134.8 122.6 177.0 -179.4 181 THR -132.0 123.8 -177.1 -67.1 182 VAL -119.9 121.6 179.0 173.6 183 PRO -78.6 134.7 178.0 31.3 -43.6 184 ALA -108.9 127.9 -179.3 185 TYR -104.7 127.6 -179.4 -59.1 -85.6 186 PHE -107.5 125.1 -176.1 -59.4 80.0 187 LEU -120.6 145.8 180.0 -42.7 166.5 188 HIS -124.6 156.4 177.2 63.5 -96.8 189 CYS -134.1 7.3 179.3 59.9 190 ASN -166.2 -162.8 -178.4 55.0 46.5 191 GLU -64.0 -29.8 -179.5 -77.4 -168.9 -21.2 192 ARG -58.0 130.3 -178.1 -169.1 -177.8 -67.8 -75.0 193 HIS -42.0 -50.9 174.4 179.5 -92.2 194 HIS -148.7 138.6 176.6 65.0 -82.7 195 THR -103.2 -21.6 -180.0 -71.1 196 LEU -147.1 140.2 175.8 175.3 68.9 197 ALA -129.2 149.2 -178.1 198 ILE -128.9 133.6 -179.9 -74.0 166.4 199 ALA -155.4 143.9 178.7 200 ALA -87.9 63.1 179.5 201 PHE -87.8 139.0 179.7 -67.1 -31.3 202 PRO -81.2 68.5 -179.4 33.5 -43.3 203 LEU -107.0 153.8 179.7 -68.0 -178.5 204 PRO -80.4 4.9 -178.6 -14.4 33.9 205 LYS -120.1 164.7 -179.7 -59.9 -63.4 -178.0 -177.4 206 ARG -72.8 -28.4 -179.8 -69.5 161.6 159.8 176.0 207 ILE -133.1 149.1 177.3 59.8 171.8 208 HIS -77.2 -47.8 179.0 167.8 -109.3 209 HIS -161.1 164.9 174.1 73.4 -88.8 210 PHE -123.9 154.4 -176.0 65.5 -82.7 211 MET -127.5 144.7 176.1 176.9 -75.8 -66.1 212 LEU -125.3 136.6 -179.3 -67.9 173.4 213 GLU -111.0 131.2 -179.3 -172.2 173.7 -0.2 214 VAL -106.7 168.2 -176.1 -72.5 215 ALA -79.3 -24.3 179.8 216 SER -139.2 161.0 178.4 82.5 217 LEU -59.9 -40.4 179.9 175.2 60.8 218 ASP -60.2 -33.7 178.6 -71.4 -31.5 219 ASP -58.3 -43.6 179.5 -67.8 -27.5 220 VAL -68.2 -46.4 -179.5 -178.2 221 GLY -60.8 -45.8 178.4 222 PHE -65.3 -44.0 179.7 -79.5 -60.6 223 ALA -61.8 -38.0 179.7 224 PHE -56.5 -48.6 180.0 -175.8 -77.0 225 ASP -63.7 -38.5 179.3 -79.1 4.5 226 ARG -61.7 -43.5 -179.7 -67.8 -163.2 -62.0 -94.6 227 VAL -73.6 -42.3 180.0 172.0 228 ASP -61.7 -31.7 179.1 -166.7 40.0 229 ALA -58.8 -28.9 -179.8 230 ASP -101.2 8.7 179.2 -72.7 -1.0 231 GLY 66.1 31.4 -178.0 232 LEU -98.9 -1.1 179.4 -60.6 171.2 233 ILE -68.9 135.0 178.3 -62.0 -70.0 234 THR -113.3 -19.3 -178.6 51.8 235 SER -153.0 126.5 -179.5 -172.9 236 THR -63.7 169.5 178.3 66.1 237 LEU -57.0 140.6 178.6 -85.1 170.0 238 GLY -165.9 177.2 178.1 239 ARG -126.6 131.1 179.0 -162.7 -159.4 -78.7 -92.7 240 HIS -75.4 150.0 -178.6 -74.8 -59.9 241 THR -73.3 -31.0 -176.2 50.3 242 ASN -94.7 -52.7 178.9 62.6 -19.3 243 ASP -92.2 -6.2 179.8 66.0 -1.5 244 HIS 59.4 23.6 178.9 -65.0 -178.7 245 MET -72.4 133.7 175.9 178.5 96.7 63.2 246 VAL -96.2 118.5 -175.7 173.6 247 SER -157.0 172.0 173.5 60.6 248 PHE -130.8 161.7 178.6 68.3 84.3 249 TYR -118.4 147.7 179.7 -72.2 69.1 250 ALA -142.7 162.2 -179.8 251 SER -95.3 130.0 177.3 -165.0 252 THR -83.7 171.5 179.8 64.7 253 PRO -62.7 -18.7 179.1 -31.6 44.1 254 SER -90.2 -1.0 -179.2 -62.2 255 GLY 93.8 -27.9 177.2 256 VAL -62.7 141.0 179.6 164.6 257 GLU -93.1 155.2 177.3 -66.9 -178.6 55.1 258 VAL -122.5 139.8 178.2 58.9 259 GLU -109.5 132.1 -178.3 176.7 -173.3 7.2 260 TYR -121.7 108.3 -174.9 -158.6 81.0 261 GLY -131.4 -179.4 -176.8 262 TRP -154.9 150.6 174.5 164.7 75.5 263 SER 67.1 34.6 178.4 -157.1 264 ALA -71.9 151.5 177.7 265 ARG -89.8 159.5 -179.3 68.4 172.4 167.0 165.6 266 THR -107.1 166.6 -179.9 50.8 267 VAL -97.5 130.6 179.4 158.6 268 ASP -112.2 -172.9 -178.3 82.4 -58.5 269 ARG -72.4 -26.2 179.4 -72.9 174.6 168.7 117.5 270 SER -90.8 11.5 -180.0 59.5 271 TRP -61.1 144.2 176.5 179.9 -93.6 272 VAL -132.3 144.5 179.4 -59.7 273 VAL -67.1 136.3 178.4 173.5 274 VAL -138.2 172.3 177.5 -67.9 275 ARG -125.5 155.0 -179.8 62.6 172.8 -59.2 -69.1 276 HIS -134.3 154.6 177.7 -55.2 -100.9 277 ASP -106.7 -7.3 179.4 -78.6 -63.4 278 SER -134.0 143.5 179.6 -63.3 279 PRO -85.2 -16.6 -178.4 33.6 -41.4 280 SER -135.1 142.4 177.8 -62.4 281 MET -75.5 -47.4 178.3 -73.3 -175.7 -146.6 282 TRP -153.5 160.1 178.9 50.9 -97.4 283 GLY 69.5 -149.9 -179.0 284 HIS 57.1 43.0 179.1 -76.6 148.6 285 LYS -76.1 124.5 179.9 -174.9 171.5 -170.1 172.3 286 SER -66.1 128.4 179.8 -176.9 287 VAL -127.1 12.7 0.0 -64.2 288 ARG 0.0 0.0 0.0 0.0 0.0 0.0 0.0 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 SER 16.783 -2.981 87.547 2 ILE 19.079 -4.341 84.859 3 ARG 18.025 -3.240 81.407 4 SER 20.511 -5.194 79.255 5 LEU 23.994 -6.603 78.721 6 GLY 26.019 -3.504 77.803 7 TYR 29.645 -4.548 77.279 8 MET 32.094 -7.456 77.562 9 GLY 35.827 -7.671 78.059 10 PHE 38.093 -10.579 77.030 11 ALA 41.603 -11.314 78.363 12 VAL 43.449 -13.117 75.611 13 SER 46.886 -14.467 74.805 14 ASP 46.855 -13.267 71.187 15 VAL 45.455 -9.749 70.834 16 ALA 46.390 -9.410 67.171 17 ALA 44.525 -12.596 66.215 18 TRP 41.487 -11.282 68.054 19 ARG 41.701 -7.908 66.326 20 SER 41.781 -9.535 62.889 21 PHE 39.010 -12.030 63.736 22 LEU 36.608 -9.406 65.099 23 THR 37.059 -6.887 62.268 24 GLN 37.741 -8.966 59.165 25 LYS 35.611 -12.033 59.904 26 LEU 32.764 -10.679 62.044 27 GLY 32.804 -7.105 60.757 28 LEU 33.134 -5.160 64.009 29 MET 34.579 -1.658 63.905 30 GLU 38.031 -1.047 65.402 31 ALA 37.596 1.801 67.916 32 GLY 41.098 2.488 69.158 33 THR 43.236 1.335 72.041 34 THR 43.007 2.748 75.530 35 ASP 43.876 1.640 79.076 36 ASN 40.613 -0.304 78.707 37 GLY 42.295 -2.299 75.912 38 ASP 41.631 -2.641 72.164 39 LEU 38.074 -1.382 71.697 40 PHE 35.475 -2.590 69.214 41 ARG 32.105 -1.144 68.202 42 ILE 28.906 -2.534 66.635 43 ASP 26.726 0.562 67.081 44 SER 26.651 4.154 68.421 45 ARG 28.269 3.282 71.754 46 ALA 31.951 4.173 72.158 47 TRP 32.723 0.426 72.554 48 ARG 30.891 -2.831 73.273 49 ILE 33.784 -5.300 73.341 50 ALA 37.248 -4.759 74.891 51 VAL 40.205 -7.084 74.233 52 GLN 43.065 -7.040 76.754 53 GLN 46.239 -9.119 76.927 54 GLY 45.792 -11.838 79.508 55 GLU 46.493 -15.473 80.299 56 VAL 42.973 -16.819 80.812 57 ASP 41.921 -16.624 77.137 58 ASP 38.332 -16.146 78.241 59 LEU 35.651 -13.628 79.221 60 ALA 37.268 -11.305 81.751 61 PHE 34.234 -9.215 82.780 62 ALA 30.705 -8.323 81.646 63 GLY 28.844 -5.079 82.280 64 TYR 25.088 -4.874 82.836 65 GLU 23.349 -1.604 82.154 66 VAL 20.773 0.148 84.326 67 ALA 18.784 3.190 83.219 68 ASP 20.142 5.740 85.686 69 ALA 21.742 6.540 89.032 70 ALA 18.620 5.467 90.936 71 GLY 18.756 2.102 89.196 72 LEU 22.414 1.746 90.166 73 ALA 21.571 2.544 93.799 74 GLN 18.761 -0.067 93.803 75 MET 21.034 -2.829 92.526 76 ALA 23.874 -1.979 94.910 77 ASP 21.354 -2.184 97.735 78 LYS 19.910 -5.459 96.474 79 LEU 23.395 -7.026 96.308 80 LYS 24.309 -5.793 99.788 81 GLN 21.102 -7.150 101.314 82 ALA 22.070 -10.501 99.751 83 GLY 25.489 -10.450 101.375 84 ILE 27.440 -9.887 98.160 85 ALA 30.685 -7.916 98.352 86 VAL 30.063 -4.830 96.192 87 THR 32.661 -2.195 95.394 88 THR 31.685 1.243 94.151 89 GLY 33.838 1.702 91.076 90 ASP 36.266 4.561 91.497 91 ALA 36.442 7.526 89.124 92 SER 39.476 5.951 87.485 93 LEU 37.576 2.756 86.661 94 ALA 34.506 4.716 85.533 95 ARG 36.758 6.717 83.213 96 ARG 38.456 3.635 81.824 97 ARG 35.036 2.126 80.978 98 GLY 33.670 5.429 79.718 99 VAL 30.673 5.256 82.071 100 THR 29.095 7.652 84.573 101 GLY 28.906 5.357 87.601 102 LEU 29.441 1.665 88.263 103 ILE 29.687 -1.024 90.929 104 THR 31.778 -4.168 90.709 105 PHE 31.344 -7.638 92.219 106 ALA 31.536 -11.282 91.088 107 ASP 29.086 -14.061 90.427 108 PRO 29.095 -17.103 92.815 109 PHE 31.782 -18.754 90.754 110 GLY 34.242 -15.920 90.206 111 LEU 33.183 -14.108 87.046 112 PRO 33.794 -10.356 87.538 113 LEU 30.576 -8.439 86.837 114 GLU 29.886 -4.714 86.649 115 ILE 26.578 -2.832 86.758 116 TYR 26.759 0.690 85.373 117 TYR 24.786 3.593 83.957 118 GLY 25.594 6.474 81.613 119 ALA 27.817 4.886 78.965 120 SER 29.305 7.005 76.173 121 GLU 27.713 7.521 72.754 122 VAL 29.738 8.563 69.690 123 PHE 27.162 9.557 67.056 124 GLU 29.788 12.007 65.713 125 LYS 31.935 9.008 64.670 126 PRO 29.436 7.037 62.547 127 PHE 29.731 3.255 62.706 128 LEU 31.569 1.742 59.737 129 PRO 31.945 -2.076 59.862 130 GLY 35.242 -3.810 59.260 131 ALA 33.568 -6.146 56.774 132 ALA 30.341 -6.017 54.768 133 VAL 27.621 -6.197 57.439 134 SER 24.324 -4.336 56.992 135 GLY 24.012 -3.829 60.744 136 PHE 23.910 -5.300 64.245 137 LEU 20.797 -5.523 66.385 138 THR 21.277 -3.847 69.753 139 GLY 19.113 -0.975 71.000 140 GLU 16.865 -1.962 73.898 141 GLN 18.001 -5.577 73.482 142 GLY 21.580 -4.717 74.398 143 LEU 24.752 -6.368 73.169 144 GLY 23.510 -9.934 72.736 145 HIS 23.900 -12.904 75.081 146 PHE 26.306 -15.476 76.494 147 VAL 26.020 -18.895 78.088 148 ARG 27.683 -19.109 81.506 149 CYS 29.097 -22.529 82.390 150 VAL 28.741 -23.323 86.094 151 PRO 29.426 -26.237 88.462 152 ASP 26.044 -25.783 90.214 153 SER 23.056 -24.536 88.223 154 ASP 20.697 -24.102 91.158 155 LYS 23.147 -21.908 93.009 156 ALA 23.730 -19.927 89.808 157 LEU 19.977 -19.657 89.159 158 ALA 19.253 -18.300 92.651 159 PHE 21.868 -15.564 92.257 160 TYR 20.903 -14.452 88.738 161 THR 17.134 -14.480 89.282 162 ASP 16.680 -13.715 92.990 163 VAL 19.528 -11.231 93.286 164 LEU 20.127 -9.838 89.771 165 GLY 16.479 -10.028 88.693 166 PHE 16.711 -12.025 85.460 167 GLN 13.521 -13.887 84.488 168 LEU 13.320 -17.418 83.094 169 SER 12.370 -17.766 79.428 170 ASP 12.678 -21.524 78.999 171 VAL 14.749 -24.651 79.592 172 ILE 16.389 -27.081 77.201 173 ASP 17.253 -30.565 78.491 174 MET 20.577 -31.166 76.804 175 LYS 21.179 -34.889 76.359 176 MET 24.951 -35.098 76.553 177 GLY 25.059 -38.847 76.353 178 PRO 23.007 -41.848 77.579 179 ASP 23.817 -41.315 81.258 180 VAL 23.900 -37.503 81.172 181 THR 21.199 -34.890 80.706 182 VAL 21.951 -31.310 81.615 183 PRO 19.275 -28.583 81.757 184 ALA 20.263 -25.245 80.196 185 TYR 18.322 -22.298 81.615 186 PHE 17.659 -19.254 79.401 187 LEU 17.010 -15.915 81.123 188 HIS 15.862 -12.495 79.936 189 CYS 15.988 -8.980 81.311 190 ASN 14.340 -7.283 78.301 191 GLU 12.720 -8.307 74.959 192 ARG 15.706 -10.334 73.762 193 HIS 14.773 -14.017 74.282 194 HIS 17.802 -14.433 76.495 195 THR 20.620 -12.186 77.613 196 LEU 22.045 -14.955 79.807 197 ALA 21.845 -18.762 79.823 198 ILE 23.179 -21.043 82.596 199 ALA 24.249 -24.664 82.223 200 ALA 26.472 -27.102 84.096 201 PHE 28.586 -27.986 81.025 202 PRO 32.045 -29.464 81.666 203 LEU 33.940 -26.856 79.640 204 PRO 37.379 -25.386 80.298 205 LYS 35.925 -21.861 79.830 206 ARG 33.656 -19.527 81.759 207 ILE 31.213 -19.336 78.851 208 HIS 30.176 -21.717 76.104 209 HIS 29.591 -18.873 73.609 210 PHE 28.633 -15.220 73.221 211 MET 26.282 -14.134 70.454 212 LEU 26.039 -11.134 68.143 213 GLU 22.895 -10.568 66.092 214 VAL 22.953 -8.997 62.601 215 ALA 20.261 -7.377 60.458 216 SER 19.998 -9.710 57.446 217 LEU 20.409 -13.326 56.360 218 ASP 23.116 -12.268 53.896 219 ASP 25.187 -10.815 56.755 220 VAL 25.221 -14.323 58.233 221 GLY 25.826 -16.052 54.886 222 PHE 28.763 -13.838 53.926 223 ALA 30.336 -14.084 57.397 224 PHE 30.004 -17.885 57.302 225 ASP 32.155 -18.056 54.155 226 ARG 34.737 -15.644 55.618 227 VAL 35.093 -17.812 58.731 228 ASP 34.847 -21.102 56.840 229 ALA 37.773 -19.998 54.656 230 ASP 39.995 -20.318 57.741 231 GLY 38.430 -23.568 58.915 232 LEU 36.941 -21.973 62.065 233 ILE 33.289 -23.105 61.743 234 THR 32.171 -25.339 64.611 235 SER 28.488 -25.683 63.750 236 THR 26.712 -25.304 60.416 237 LEU 23.769 -22.931 59.854 238 GLY 20.688 -23.911 61.811 239 ARG 17.785 -22.497 63.764 240 HIS 17.372 -22.831 67.538 241 THR 14.171 -24.204 69.062 242 ASN 13.803 -21.587 71.765 243 ASP 14.946 -18.171 70.519 244 HIS 14.459 -19.183 66.854 245 MET 17.819 -17.625 65.979 246 VAL 19.230 -18.673 62.582 247 SER 22.976 -18.891 63.214 248 PHE 26.308 -20.643 62.860 249 TYR 28.999 -21.062 65.539 250 ALA 32.713 -20.461 65.116 251 SER 35.823 -20.660 67.206 252 THR 37.498 -17.426 68.387 253 PRO 41.290 -17.378 68.884 254 SER 40.714 -18.164 72.584 255 GLY 38.721 -21.347 71.959 256 VAL 35.559 -19.702 73.302 257 GLU 32.874 -19.910 70.605 258 VAL 30.919 -17.092 68.997 259 GLU 27.415 -17.439 67.610 260 TYR 26.554 -15.101 64.710 261 GLY 22.817 -15.010 64.082 262 TRP 19.758 -13.408 62.628 263 SER 15.981 -13.333 63.061 264 ALA 15.591 -14.315 66.724 265 ARG 12.093 -13.975 68.222 266 THR 11.466 -11.765 71.257 267 VAL 9.821 -12.317 74.613 268 ASP 6.529 -10.514 75.225 269 ARG 4.179 -10.034 78.181 270 SER 2.144 -13.109 77.394 271 TRP 5.274 -15.296 77.378 272 VAL 5.093 -18.568 79.351 273 VAL 7.947 -20.829 80.449 274 VAL 8.241 -24.021 78.393 275 ARG 10.737 -26.872 78.024 276 HIS 12.456 -28.423 74.999 277 ASP 14.290 -31.671 74.452 278 SER 16.358 -30.396 71.479 279 PRO 18.386 -27.200 71.060 280 SER 17.821 -26.918 67.295 281 MET 14.898 -27.229 64.849 282 TRP 17.227 -27.839 61.886 283 GLY 20.893 -27.517 60.962 284 HIS 23.570 -26.722 63.521 285 LYS 25.470 -29.863 62.527 286 SER 28.593 -30.105 64.660 287 VAL 31.762 -29.834 62.577 288 ARG 0.000 0.000 0.000 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 S S S S/S S S S/S S S S 10 S S S H H H H H H H 20 H H H H H S S S S/S S 30 S S C T T T T/S S S S 40 S S S C C S S S S/S S 50 S S S/S S S S C S S S 60 S/S S S S S S S H H H 70 H H H H H H H H H H 80 H H H/S S S S S S C H 90 H H H H H H H H/S S S 100 S S S S S S S/T T T T/S 110 S S S S S S S S/S S S 120 S S/T T T T/S S S S S C 130 S S S S S S S S/T T T 140 T C S S S S S S S S 150 S H H H H H H H H H 160 H H H S S S S S S S 170 S S S S S C T T T T/S 180 S S S S S S S S S S 190 C C C C S S S S S S 200 C C C C C C C C S S 210 S S S S S H H H H H 220 H H H H H H H H H H 230 H S S S S S S S S S/T 240 T T T S S S S S/S S S 250 S S/T T T T/S S S S S S 260 S S S/S S S S S S S S 270 S S S S S S S/S S S S 280 C C C S S S X/P S/X Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 e E E E E E E E E E 10 E E S h H H H H H H 20 H H H H h T t E E 30 E E E E T T E E E E 40 E S S S B S e E E 50 E E E e S S E E E 60 E E E E E E e h H H 70 H H H H H H H H H H 80 H h T t E E e h 90 H H H H H H H h t S 100 E E E E E E e T T t 110 e E E E E E E 120 B t T T t S 130 S S B g G G 140 G g S E E E E E e 150 S h H H H H H H H H 160 H H h T t E E E E 170 E E E E E e S S S e 180 E E E E E E E E S S 190 S B S e E E E E e 200 S S e E E E E 210 E E E e S h H H H H 220 H H H H H H H H h T 230 T e E E E E E E E E 240 e S S e E E E E E 250 E e T T t e E E E E 260 E E B t T T 270 t E E E S e E 280 E E E e B Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 SER 13.5 16.2 80.0 2 ILE 141.5 98.6 32.8 3 ARG 72.3 34.6 75.7 4 SER 77.7 92.9 59.4 5 LEU 147.3 99.7 43.5 6 GLY 34.8 100.0 68.3 7 TYR 175.6 97.0 34.2 8 MET 158.2 99.3 22.9 9 GLY 34.8 100.0 45.2 10 PHE 166.7 99.9 27.0 11 ALA 59.6 82.1 52.6 12 VAL 118.8 100.0 51.4 13 SER 37.4 44.7 81.9 14 ASP 42.2 38.2 70.4 15 VAL 93.2 78.5 62.4 16 ALA 19.3 26.6 84.1 17 ALA 41.6 57.2 63.3 18 TRP 204.5 99.7 30.7 19 ARG 126.7 60.6 67.2 20 SER 36.8 44.0 80.2 21 PHE 159.4 95.6 32.8 22 LEU 147.8 100.0 23.7 23 THR 90.9 85.1 51.9 24 GLN 40.4 27.2 85.9 25 LYS 141.1 81.4 56.1 26 LEU 147.8 100.0 28.5 27 GLY 34.8 100.0 57.6 28 LEU 147.8 100.0 29.1 29 MET 121.6 76.3 62.6 30 GLU 56.5 40.7 66.4 31 ALA 60.7 83.6 60.4 32 GLY 1.6 4.7 79.9 33 THR 38.7 36.2 77.0 34 THR 47.4 44.4 69.7 35 ASP 30.6 27.7 76.7 36 ASN 120.6 99.7 50.3 37 GLY 23.0 66.1 64.7 38 ASP 99.8 90.3 54.4 39 LEU 132.5 89.7 53.7 40 PHE 166.5 99.8 37.3 41 ARG 201.8 96.6 45.4 42 ILE 142.5 99.3 24.2 43 ASP 86.5 78.3 64.1 44 SER 56.9 68.0 62.9 45 ARG 162.5 77.8 75.6 46 ALA 50.8 70.0 47.5 47 TRP 192.3 93.8 43.9 48 ARG 200.3 95.9 50.3 49 ILE 143.4 99.9 26.4 50 ALA 72.6 100.0 48.6 51 VAL 118.4 99.6 31.7 52 GLN 99.1 66.7 62.4 53 GLN 59.8 40.3 76.2 54 GLY 22.5 64.6 71.4 55 GLU 15.4 11.1 86.7 56 VAL 49.6 41.8 72.6 57 ASP 84.0 76.0 72.1 58 ASP 103.9 94.1 42.2 59 LEU 147.8 100.0 28.6 60 ALA 58.9 81.2 60.3 61 PHE 156.8 94.0 50.9 62 ALA 72.6 100.0 34.1 63 GLY 34.8 100.0 47.6 64 TYR 180.6 99.8 25.3 65 GLU 110.8 80.0 70.0 66 VAL 118.8 100.0 45.6 67 ALA 38.7 53.3 76.8 68 ASP 42.4 38.4 64.1 69 ALA 23.6 32.5 67.6 70 ALA 8.9 12.2 80.1 71 GLY 27.6 79.3 69.1 72 LEU 127.5 86.3 46.6 73 ALA 14.1 19.5 76.9 74 GLN 44.5 29.9 79.8 75 MET 155.1 97.3 43.3 76 ALA 55.2 76.0 49.4 77 ASP 35.2 31.9 70.7 78 LYS 78.7 45.4 73.2 79 LEU 147.8 100.0 25.9 80 LYS 59.6 34.4 79.4 81 GLN 27.0 18.2 87.8 82 ALA 48.1 66.3 60.7 83 GLY 0.0 0.0 83.3 84 ILE 102.9 71.7 54.8 85 ALA 0.0 0.0 84.5 86 VAL 113.1 95.2 45.8 87 THR 22.6 21.2 85.9 88 THR 16.1 15.1 78.2 89 GLY 33.1 95.0 52.6 90 ASP 30.7 27.8 76.1 91 ALA 21.1 29.1 79.2 92 SER 34.6 41.4 83.5 93 LEU 116.6 78.9 63.8 94 ALA 62.1 85.5 57.4 95 ARG 37.2 17.8 80.7 96 ARG 138.4 66.2 75.1 97 ARG 190.3 91.1 48.5 98 GLY 11.7 33.7 79.2 99 VAL 118.1 99.4 45.3 100 THR 42.3 39.6 71.7 101 GLY 20.2 58.0 53.5 102 LEU 147.7 99.9 38.3 103 ILE 138.0 96.2 37.4 104 THR 80.0 74.9 50.1 105 PHE 156.5 93.8 37.4 106 ALA 37.7 51.9 66.2 107 ASP 110.3 99.9 43.3 108 PRO 100.2 80.5 42.6 109 PHE 138.0 82.7 52.9 110 GLY 6.7 19.2 76.9 111 LEU 147.8 100.0 46.0 112 PRO 72.0 57.8 68.2 113 LEU 147.7 99.9 38.1 114 GLU 130.8 94.4 45.0 115 ILE 143.5 100.0 24.9 116 TYR 180.1 99.5 42.3 117 TYR 137.9 76.2 47.7 118 GLY 10.6 30.5 72.6 119 ALA 62.2 85.6 62.7 120 SER 39.2 46.8 66.8 121 GLU 80.7 58.2 68.4 122 VAL 96.0 80.8 63.9 123 PHE 37.9 22.7 80.4 124 GLU 27.1 19.5 73.5 125 LYS 40.4 23.3 74.8 126 PRO 27.2 21.8 87.6 127 PHE 137.1 82.2 54.6 128 LEU 19.9 13.5 75.2 129 PRO 101.1 81.2 59.4 130 GLY 16.6 47.6 70.2 131 ALA 56.3 77.5 70.8 132 ALA 3.2 4.4 78.9 133 VAL 118.8 100.0 56.7 134 SER 32.9 39.4 75.3 135 GLY 18.7 53.7 61.5 136 PHE 166.0 99.5 38.4 137 LEU 79.7 53.9 75.1 138 THR 100.4 93.9 63.0 139 GLY 0.0 0.0 86.2 140 GLU 19.1 13.8 83.8 141 GLN 122.3 82.3 59.7 142 GLY 33.9 97.5 76.5 143 LEU 147.4 99.8 37.1 144 GLY 34.7 99.7 62.4 145 HIS 147.7 98.3 50.9 146 PHE 166.3 99.7 29.8 147 VAL 111.1 93.5 47.9 148 ARG 201.1 96.3 42.1 149 CYS 94.5 95.3 58.1 150 VAL 117.4 98.8 44.5 151 PRO 42.4 34.1 61.7 152 ASP 50.1 45.3 62.6 153 SER 73.0 87.4 51.6 154 ASP 14.9 13.5 81.2 155 LYS 65.7 37.9 70.4 156 ALA 72.4 99.8 33.9 157 LEU 113.3 76.7 46.9 158 ALA 26.5 36.5 82.5 159 PHE 157.8 94.6 32.1 160 TYR 180.2 99.6 28.1 161 THR 78.2 73.1 61.2 162 ASP 22.5 20.3 78.7 163 VAL 98.5 82.9 43.1 164 LEU 147.8 100.0 24.8 165 GLY 21.3 61.1 84.8 166 PHE 166.5 99.8 32.1 167 GLN 49.0 33.0 78.9 168 LEU 105.1 71.1 45.7 169 SER 83.6 100.0 51.8 170 ASP 110.5 100.0 42.8 171 VAL 95.8 80.7 45.4 172 ILE 140.2 97.7 48.1 173 ASP 80.1 72.5 59.1 174 MET 111.9 70.2 46.5 175 LYS 51.2 29.6 85.6 176 MET 105.4 66.1 50.8 177 GLY 11.7 33.6 64.4 178 PRO 2.4 2.0 81.2 179 ASP 0.0 0.0 81.7 180 VAL 51.1 43.0 68.2 181 THR 55.3 51.7 63.9 182 VAL 103.2 86.9 43.6 183 PRO 80.9 65.0 65.8 184 ALA 69.0 95.1 38.9 185 TYR 146.9 81.1 41.1 186 PHE 146.9 88.1 48.3 187 LEU 147.8 100.0 34.7 188 HIS 123.4 82.2 57.2 189 CYS 88.8 89.5 49.3 190 ASN 94.4 78.1 68.2 191 GLU 63.4 45.7 75.9 192 ARG 204.4 97.8 64.5 193 HIS 148.8 99.1 47.9 194 HIS 144.5 96.2 50.8 195 THR 106.8 99.9 46.7 196 LEU 147.7 100.0 36.3 197 ALA 72.6 100.0 38.1 198 ILE 143.5 100.0 34.0 199 ALA 72.6 100.0 43.7 200 ALA 46.7 64.3 70.6 201 PHE 143.6 86.1 30.3 202 PRO 35.0 28.1 70.5 203 LEU 94.1 63.7 54.5 204 PRO 22.4 18.0 73.2 205 LYS 130.1 75.0 66.7 206 ARG 140.5 67.3 59.7 207 ILE 143.5 100.0 34.7 208 HIS 102.6 68.3 49.3 209 HIS 140.7 93.6 49.1 210 PHE 166.8 100.0 21.5 211 MET 159.4 100.0 47.8 212 LEU 147.5 99.8 26.7 213 GLU 134.9 97.4 53.7 214 VAL 118.8 100.0 43.0 215 ALA 42.6 58.7 63.6 216 SER 46.6 55.7 72.1 217 LEU 63.4 42.9 58.1 218 ASP 18.4 16.7 75.0 219 ASP 103.7 93.8 59.1 220 VAL 118.8 100.0 40.1 221 GLY 12.3 35.3 65.1 222 PHE 44.6 26.7 81.7 223 ALA 72.6 100.0 56.8 224 PHE 130.6 78.3 48.4 225 ASP 19.8 17.9 78.9 226 ARG 155.1 74.3 60.6 227 VAL 118.8 100.0 34.0 228 ASP 49.6 44.9 64.2 229 ALA 16.5 22.7 86.3 230 ASP 49.9 45.2 73.5 231 GLY 2.0 5.8 83.3 232 LEU 91.7 62.1 62.7 233 ILE 137.2 95.6 41.1 234 THR 77.0 72.0 63.1 235 SER 68.8 82.3 55.3 236 THR 68.2 63.8 51.4 237 LEU 91.8 62.1 49.7 238 GLY 34.8 100.0 52.6 239 ARG 144.6 69.2 57.2 240 HIS 125.8 83.8 71.8 241 THR 88.9 83.2 51.7 242 ASN 118.0 97.6 48.2 243 ASP 107.5 97.3 39.4 244 HIS 102.4 68.2 65.4 245 MET 157.8 99.0 51.1 246 VAL 111.7 94.0 44.7 247 SER 83.6 100.0 51.0 248 PHE 166.8 100.0 35.5 249 TYR 163.5 90.3 54.1 250 ALA 72.6 100.0 41.6 251 SER 57.2 68.4 57.3 252 THR 106.9 100.0 34.0 253 PRO 95.4 76.7 49.8 254 SER 82.2 98.3 57.9 255 GLY 7.5 21.6 82.1 256 VAL 116.5 98.0 46.5 257 GLU 100.4 72.5 60.5 258 VAL 118.8 100.0 32.3 259 GLU 137.3 99.1 46.5 260 TYR 181.0 100.0 33.5 261 GLY 34.8 100.0 43.1 262 TRP 136.7 66.7 57.3 263 SER 44.4 53.1 66.9 264 ALA 66.9 92.2 63.6 265 ARG 121.1 58.0 65.9 266 THR 61.6 57.7 75.0 267 VAL 111.7 94.1 53.0 268 ASP 33.8 30.6 76.8 269 ARG 0.0 0.0 93.2 270 SER 8.1 9.7 88.5 271 TRP 173.7 84.8 65.9 272 VAL 17.4 14.6 81.2 273 VAL 58.6 49.4 64.5 274 VAL 57.1 48.0 67.6 275 ARG 94.0 45.0 78.3 276 HIS 117.0 77.9 63.0 277 ASP 51.8 46.9 78.9 278 SER 30.0 35.9 66.4 279 PRO 73.6 59.1 55.7 280 SER 71.0 84.9 59.5 281 MET 98.6 61.8 62.9 282 TRP 74.2 36.2 71.5 283 GLY 17.2 49.4 66.6 284 HIS 141.8 94.4 66.8 285 LYS 19.0 11.0 84.9 286 SER 11.1 13.3 84.6 287 VAL 67.8 57.1 67.3 288 ARG 208.9 100.0 0.0