Protein Data Bank File : 1b8oa Title : TRANSFERASE 02-FEB-99 1B8O Number of Amino Acid Residues : 280 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 ASN GLY TYR THR TYR GLU ASP TYR GLN ASP 10 THR ALA LYS TRP LEU LEU SER HIS THR GLU 20 GLN ARG PRO GLN VAL ALA VAL ILE CYS GLY 30 SER GLY LEU GLY GLY LEU VAL ASN LYS LEU 40 THR GLN ALA GLN THR PHE ASP TYR SER GLU 50 ILE PRO ASN PHE PRO GLU SER THR VAL PRO 60 GLY HIS ALA GLY ARG LEU VAL PHE GLY ILE 70 LEU ASN GLY ARG ALA CYS VAL MET MET GLN 80 GLY ARG PHE HIS MET TYR GLU GLY TYR PRO 90 PHE TRP LYS VAL THR PHE PRO VAL ARG VAL 100 PHE ARG LEU LEU GLY VAL GLU THR LEU VAL 110 VAL THR ASN ALA ALA GLY GLY LEU ASN PRO 120 ASN PHE GLU VAL GLY ASP ILE MET LEU ILE 130 ARG ASP HIS ILE ASN LEU PRO GLY PHE SER 140 GLY GLU ASN PRO LEU ARG GLY PRO ASN GLU 150 GLU ARG PHE GLY VAL ARG PHE PRO ALA MET 160 SER ASP ALA TYR ASP ARG ASP MET ARG GLN 170 LYS ALA HIS SER THR TRP LYS GLN MET GLY 180 GLU GLN ARG GLU LEU GLN GLU GLY THR TYR 190 VAL MET LEU GLY GLY PRO ASN PHE GLU THR 200 VAL ALA GLU CYS ARG LEU LEU ARG ASN LEU 210 GLY ALA ASP ALA VAL GLY MET SER THR VAL 220 PRO GLU VAL ILE VAL ALA ARG HIS CYS GLY 230 LEU ARG VAL PHE GLY PHE SER LEU ILE THR 240 ASN LYS VAL ILE MET ASP TYR GLU SER GLN 250 GLY LYS ALA ASN HIS GLU GLU VAL LEU GLU 260 ALA GLY LYS GLN ALA ALA GLN LYS LEU GLU 270 GLN PHE VAL SER LEU LEU MET ALA SER ILE Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 ASN 0.0 -158.6 -179.9 -149.6 144.8 2 GLY -171.4 -12.3 179.4 3 TYR -96.5 140.4 177.8 -70.9 -65.0 4 THR -87.0 163.8 179.7 63.1 5 TYR -58.8 -41.4 -179.6 -176.5 76.7 6 GLU -60.0 -31.6 179.8 -72.9 64.2 42.6 7 ASP -60.4 -44.9 179.4 -69.9 -24.0 8 TYR -65.2 -43.6 179.8 -62.3 -83.9 9 GLN -59.1 -47.2 -179.2 -93.4 -166.4 -41.9 10 ASP -54.6 -49.9 -179.2 -75.2 -20.0 11 THR -63.0 -45.7 179.6 -63.6 12 ALA -60.6 -46.2 -179.9 13 LYS -62.7 -34.4 179.2 -51.1 -56.5 -177.3 57.1 14 TRP -62.3 -47.9 -179.7 -174.5 91.2 15 LEU -64.5 -48.5 -179.5 -70.4 164.3 16 LEU -56.2 -30.9 -179.3 -70.5 173.7 17 SER -88.7 -8.7 -179.5 80.4 18 HIS -107.5 0.8 178.4 -79.8 72.1 19 THR -150.0 152.9 179.0 -176.4 20 GLU -88.4 -15.8 -179.1 82.3 -75.4 -18.2 21 GLN -61.3 139.3 178.6 -71.2 -62.5 -52.8 22 ARG -133.3 85.3 -179.1 -68.0 -63.6 -179.0 -96.5 23 PRO -65.1 142.1 177.5 29.3 -38.2 24 GLN -109.1 -15.4 -179.4 67.3 149.0 -64.4 25 VAL -131.4 141.0 177.6 178.1 26 ALA -122.2 137.6 179.8 27 VAL -124.2 129.2 178.7 -176.7 28 ILE -103.3 116.0 -179.1 -56.5 -172.3 29 CYS -91.8 121.1 -179.8 -50.8 30 GLY -80.5 -167.3 -178.8 31 SER -53.4 120.0 179.3 -73.0 32 GLY 70.9 14.9 -179.6 33 LEU -113.8 15.5 179.8 -58.2 -180.0 34 GLY -62.5 -18.6 -179.7 35 GLY -67.1 -8.0 179.7 36 LEU -65.5 -13.8 179.8 -73.9 179.4 37 VAL -89.2 -11.9 -177.2 -51.2 38 ASN -50.8 -35.6 -178.5 -65.6 7.3 39 LYS -100.1 10.4 179.1 -60.1 -104.0 -145.7 43.5 40 LEU -70.4 138.8 178.6 -76.9 167.4 41 THR -105.5 155.4 -178.6 66.8 42 GLN 54.4 37.0 -178.8 -62.8 -172.4 40.6 43 ALA -69.4 143.1 176.5 44 GLN -136.8 123.1 -178.6 173.1 158.9 12.5 45 THR -105.7 142.9 177.7 -55.7 46 PHE -130.2 122.8 177.7 -68.0 -78.9 47 ASP -70.0 145.8 179.9 -71.0 -24.6 48 TYR -57.0 -33.7 -178.9 -71.0 -19.1 49 SER -60.7 -24.2 -179.9 59.3 50 GLU -91.6 -7.9 -179.9 61.4 -177.2 -71.4 51 ILE -94.9 117.1 180.0 -51.0 167.7 52 PRO -50.5 135.3 178.2 -26.3 35.5 53 ASN 73.7 -6.0 179.9 -66.0 132.0 54 PHE -76.5 139.1 178.7 -107.0 64.4 55 PRO -75.6 178.5 -179.6 -12.3 29.6 56 GLU -117.4 141.0 179.2 27.7 179.9 124.3 57 SER -82.9 120.3 180.0 -78.8 58 THR -113.6 0.0 -179.0 72.0 59 VAL -93.2 134.1 179.5 179.0 60 PRO -57.5 139.5 -179.6 -21.9 32.3 61 GLY 95.0 2.6 178.8 62 HIS -125.1 105.3 -177.6 -70.2 73.1 63 ALA -63.1 -32.0 -179.4 64 GLY 77.8 45.0 -179.9 65 ARG -137.8 147.1 177.5 -52.7 171.2 169.1 179.5 66 LEU -105.6 119.4 -178.4 -163.3 65.3 67 VAL -115.9 117.8 178.2 -168.8 68 PHE -94.4 150.7 -179.9 -69.3 81.2 69 GLY 171.3 -178.6 179.9 70 ILE -110.1 131.3 179.2 -64.2 172.2 71 LEU -129.0 114.0 -179.3 -166.5 63.6 72 ASN 55.6 43.6 179.6 -156.5 10.9 73 GLY 73.2 10.4 -180.0 74 ARG -115.0 129.8 179.0 -150.4 126.8 -63.9 91.4 75 ALA -74.3 120.5 179.9 76 CYS -134.7 164.2 176.8 -37.8 77 VAL -130.9 132.2 -178.6 55.6 78 MET -118.5 136.4 176.1 -57.0 -153.9 177.0 79 MET -91.3 101.4 178.9 -94.2 179.9 71.5 80 GLN -81.9 83.4 -177.4 -155.9 -177.9 15.2 81 GLY 111.3 151.8 -180.0 82 ARG -133.3 -166.3 -179.7 58.2 140.7 62.0 75.5 83 PHE -123.8 151.6 -179.3 -43.1 -60.5 84 HIS -132.8 151.4 179.0 -46.3 76.4 85 MET -61.0 -37.0 -179.2 150.8 174.8 -85.3 86 TYR -64.0 -11.4 178.2 63.0 66.9 87 GLU -82.6 -7.7 -179.6 -68.9 -179.6 73.7 88 GLY 105.6 8.0 -178.8 89 TYR -91.4 131.0 178.4 -64.6 -54.8 90 PRO -74.7 158.1 -178.8 -3.0 15.3 91 PHE -57.9 -26.8 179.2 -72.3 -44.0 92 TRP -69.5 -16.2 177.4 55.9 -94.0 93 LYS -93.8 -43.6 179.8 -81.6 -144.3 168.7 147.6 94 VAL -54.7 -39.0 -176.8 165.6 95 THR -97.5 4.2 -180.0 64.5 96 PHE -47.4 -48.2 -179.7 179.6 70.7 97 PRO -56.5 -34.6 -178.7 -19.8 32.0 98 VAL -57.9 -45.2 179.7 -178.9 99 ARG -72.3 -31.8 177.8 -77.8 167.5 168.0 -168.4 100 VAL -63.8 -43.7 179.7 170.2 101 PHE -58.5 -42.7 178.9 -65.3 -20.7 102 ARG -61.0 -40.6 179.8 170.0 101.6 -81.5 -143.4 103 LEU -73.8 -7.2 178.2 -71.1 -172.6 104 LEU -90.5 -18.7 -179.0 -73.7 -175.0 105 GLY 110.2 8.4 179.5 106 VAL -68.4 143.0 -178.4 164.9 107 GLU -117.5 -21.7 -179.7 -63.6 169.3 29.0 108 THR -130.1 139.8 179.0 -59.0 109 LEU -122.5 126.2 177.8 174.3 72.8 110 VAL -108.1 120.0 179.2 174.7 111 VAL -108.9 138.0 178.5 -66.1 112 THR -132.0 157.7 177.8 72.9 113 ASN -163.0 167.1 176.6 64.8 54.8 114 ALA -99.8 132.1 -178.3 115 ALA -139.7 155.1 178.2 116 GLY -86.3 137.3 -179.8 117 GLY -83.8 129.1 179.1 118 LEU -105.3 -31.0 178.3 -66.9 175.3 119 ASN -71.8 119.4 -179.5 -175.6 -40.1 120 PRO -58.2 -20.9 -179.3 21.7 -33.4 121 ASN -83.9 -5.1 179.4 -56.1 -46.1 122 PHE -81.4 148.6 178.2 -76.0 1.5 123 GLU -127.3 151.1 179.8 -59.2 -54.7 -43.3 124 VAL -56.8 135.8 -179.1 176.2 125 GLY 101.2 -16.6 179.4 126 ASP -63.4 148.0 177.1 -96.0 -12.9 127 ILE -109.2 123.6 179.9 -64.5 -44.7 128 MET -113.9 119.3 177.6 -176.7 -156.8 84.8 129 LEU -70.5 133.8 179.2 -133.1 62.1 130 ILE -84.9 107.6 -179.9 -63.0 169.1 131 ARG -87.9 -25.9 -177.5 156.1 167.5 -130.2 -168.5 132 ASP -164.2 171.1 178.0 -159.8 2.3 133 HIS -141.8 166.3 177.7 72.9 -130.8 134 ILE -127.6 116.5 -178.6 -66.2 172.1 135 ASN -99.2 89.9 -179.4 -173.9 12.3 136 LEU -62.3 -47.3 179.0 -62.8 -177.6 137 PRO -59.6 -32.9 178.6 -24.2 36.4 138 GLY -62.8 -32.0 179.5 139 PHE -59.7 -30.2 -179.2 -78.6 -17.6 140 SER -91.8 -6.7 180.0 -68.8 141 GLY 104.5 -6.8 178.4 142 GLU -74.4 98.6 -175.1 -86.9 -64.1 -26.7 143 ASN -147.5 136.6 179.7 -166.2 -58.5 144 PRO -60.5 -22.0 -179.2 22.9 -35.7 145 LEU -88.3 -4.3 179.8 -62.3 -175.4 146 ARG -60.0 136.8 -179.6 -164.0 -169.5 176.8 -105.2 147 GLY 106.6 -173.5 179.7 148 PRO -53.8 139.6 179.5 -24.1 32.9 149 ASN -87.2 134.8 178.4 -179.1 62.7 150 GLU -94.6 99.4 -178.3 174.7 45.3 74.5 151 GLU -56.3 -23.4 -179.9 -155.0 57.2 38.7 152 ARG -71.1 -16.2 178.5 -78.6 171.5 -77.5 -169.7 153 PHE -100.5 -50.7 -179.0 -81.8 -52.5 154 GLY -168.8 -173.9 -178.5 155 VAL -81.5 164.6 -178.7 -49.3 156 ARG -63.6 -42.8 -178.7 170.6 81.0 -81.0 -172.4 157 PHE -118.5 78.0 -180.0 -58.9 -75.3 158 PRO -71.5 144.7 178.1 30.4 -37.2 159 ALA -82.8 146.1 -179.4 160 MET -122.7 -4.4 -179.6 -141.9 52.6 52.5 161 SER -60.7 -23.3 179.7 52.9 162 ASP -118.1 31.5 -177.7 64.9 -17.6 163 ALA -60.1 -43.5 -178.8 164 TYR -93.0 101.7 -178.3 -60.3 89.7 165 ASP -35.7 117.2 -179.5 -164.8 75.7 166 ARG -63.4 -46.1 -179.8 169.5 -152.5 67.3 -146.9 167 ASP -59.4 -44.9 -179.3 -70.9 -22.8 168 MET -64.6 -28.8 179.4 -94.4 -177.6 94.0 169 ARG -77.4 -22.6 177.5 -80.3 -170.1 -80.0 106.1 170 GLN -74.3 -46.1 179.2 -85.8 148.4 16.1 171 LYS -64.3 -35.4 179.6 -35.6 -89.0 166.7 -55.2 172 ALA -59.1 -46.2 179.6 173 HIS -66.6 -41.0 179.1 -92.5 111.7 174 SER -63.0 -45.4 -179.5 -74.9 175 THR -63.0 -41.1 179.3 -61.1 176 TRP -58.2 -39.0 -179.9 -175.6 -96.3 177 LYS -60.0 -33.3 -179.9 -51.0 -95.8 -156.2 -70.2 178 GLN -71.5 -20.4 -179.3 -66.2 177.3 -31.3 179 MET -78.8 -15.3 -179.7 -44.4 -148.2 -18.8 180 GLY 55.2 48.2 -179.9 181 GLU -84.4 152.5 179.6 -78.7 -70.3 153.1 182 GLN -66.2 -52.4 -180.0 -45.0 85.8 89.6 183 ARG -84.4 152.5 179.7 -82.1 -69.9 -87.2 -168.8 184 GLU -84.6 152.8 178.8 -37.0 60.2 -122.3 185 LEU -69.2 120.2 179.8 168.4 62.9 186 GLN -81.4 166.2 180.0 -54.0 -60.6 -51.2 187 GLU -150.8 141.7 -179.8 -176.6 154.9 16.4 188 GLY 179.3 -168.8 -178.8 189 THR -98.9 129.3 179.4 -63.2 190 TYR -100.4 128.1 178.3 174.3 90.4 191 VAL -109.7 132.7 179.2 57.1 192 MET -106.4 135.4 175.7 -171.2 -100.8 179.7 193 LEU -129.6 169.3 -176.6 30.6 61.7 194 GLY -69.3 -42.9 -177.4 195 GLY 77.4 -167.5 0.6 196 PRO -83.5 -7.5 -179.9 34.5 -31.4 197 ASN -72.3 152.0 177.6 62.3 -85.5 198 PHE -79.8 159.1 -176.5 -75.4 -66.3 199 GLU -68.0 153.9 177.0 -56.1 70.7 38.6 200 THR -85.5 170.3 179.8 64.2 201 VAL -64.9 -42.4 180.0 169.5 202 ALA -62.3 -38.8 179.8 203 GLU -68.8 -39.2 -179.7 -73.2 164.4 -6.1 204 CYS -61.2 -47.5 -179.7 174.4 205 ARG -62.5 -42.0 179.8 -71.8 163.1 175.5 -175.4 206 LEU -63.0 -46.0 -179.2 159.1 -172.6 207 LEU -61.6 -39.8 178.8 -65.7 168.5 208 ARG -64.9 -41.9 179.6 177.3 55.0 -177.7 161.0 209 ASN -65.1 -17.6 177.9 -93.5 -50.9 210 LEU -80.3 -8.2 -179.6 -60.4 -178.8 211 GLY 97.5 15.6 -179.8 212 ALA -85.7 145.1 179.7 213 ASP -105.5 -25.0 -179.9 -66.9 -69.3 214 ALA -147.7 150.2 -179.2 215 VAL -126.6 140.0 -179.8 56.1 216 GLY -155.5 176.9 -178.2 217 MET -117.1 30.1 -178.5 -47.5 161.7 -179.4 218 SER -154.0 -160.9 174.7 69.5 219 THR 68.1 -58.1 -179.1 -51.6 220 VAL -48.9 -47.3 180.0 174.5 221 PRO -62.7 -35.4 179.1 19.7 -28.4 222 GLU -65.2 -41.9 179.3 -67.4 147.3 15.1 223 VAL -64.6 -42.0 179.6 171.8 224 ILE -60.8 -46.8 -179.8 -73.5 159.4 225 VAL -66.2 -36.9 179.4 168.4 226 ALA -61.1 -50.2 -180.0 227 ARG -64.1 -42.3 179.4 -68.0 -57.2 -63.0 149.5 228 HIS -55.1 -42.8 -179.0 178.0 -108.2 229 CYS -92.4 14.4 176.1 72.7 230 GLY 86.5 9.7 179.6 231 LEU -78.5 144.5 176.6 -66.7 174.5 232 ARG -80.8 135.1 -177.2 162.4 -169.1 -54.9 95.9 233 VAL -120.5 139.3 178.1 176.2 234 PHE -142.9 146.2 179.6 164.2 70.7 235 GLY -164.6 166.7 178.3 236 PHE -155.7 156.9 179.9 60.5 -96.6 237 SER -112.4 142.0 175.2 -69.8 238 LEU -99.4 121.6 179.0 158.3 67.4 239 ILE -76.0 99.6 -177.9 -59.1 -51.2 240 THR -87.0 -15.0 -179.3 53.0 241 ASN -167.7 153.6 178.4 60.7 -71.8 242 LYS -98.3 116.2 -178.7 -68.6 157.0 111.0 -48.6 243 VAL -56.8 137.7 179.7 -57.7 244 ILE -64.2 122.9 -177.2 -51.3 -58.7 245 MET -108.8 -3.4 179.7 -90.5 -79.6 -60.6 246 ASP -142.8 160.5 -178.2 72.6 -101.5 247 TYR -81.0 -9.7 -179.4 -59.7 110.1 248 GLU -87.9 -17.6 -180.0 -69.6 75.0 56.7 249 SER -69.6 147.5 179.9 152.2 250 GLN -102.7 0.1 179.8 -14.5 -115.8 -32.1 251 GLY -70.0 166.0 -179.7 252 LYS -162.3 124.4 -179.9 -151.7 179.7 -66.3 129.7 253 ALA -63.6 142.2 179.3 254 ASN -156.2 138.0 -178.6 64.4 96.2 255 HIS -56.3 -38.8 -179.9 -162.9 52.7 256 GLU -53.4 -49.2 179.8 -67.2 62.1 -136.9 257 GLU -70.4 -27.4 178.8 -59.9 -160.9 140.3 258 VAL -66.2 -43.1 -179.8 162.7 259 LEU -66.9 -36.4 179.5 -69.1 -168.3 260 GLU -64.6 -44.2 -179.9 -179.5 58.0 -143.0 261 ALA -60.0 -40.8 179.8 262 GLY -61.6 -36.7 179.9 263 LYS -69.6 -40.4 -179.8 100.6 114.0 60.2 -109.6 264 GLN -68.1 -26.7 -179.4 -43.4 -82.1 -154.1 265 ALA -101.6 -9.7 -179.3 266 ALA -46.9 -49.7 -179.6 267 GLN -56.4 -55.5 -179.9 26.7 83.8 -93.6 268 LYS -60.5 -34.5 -179.8 156.2 -176.2 71.6 -176.3 269 LEU -71.4 -37.1 179.8 -133.1 16.8 270 GLU -61.3 -49.6 179.7 -101.8 107.8 84.5 271 GLN -58.4 -46.2 -179.8 -23.6 164.7 -173.3 272 PHE -58.2 -48.9 -179.6 -175.7 -137.1 273 VAL -64.2 -43.4 179.8 172.1 274 SER -61.8 -46.3 179.0 178.0 275 LEU -57.3 -42.2 -179.4 -118.9 18.3 276 LEU -61.5 -31.7 179.6 -82.7 176.5 277 MET -50.2 -43.2 179.9 -83.8 -39.1 99.3 278 ALA -59.7 -28.4 -179.7 279 SER -74.7 -24.0 179.8 -79.6 280 ILE -94.0 -100.6 0.0 -38.4 161.3 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 ASN 8.805 68.355 68.422 2 GLY 6.583 67.126 71.239 3 TYR 3.344 69.003 70.620 4 THR 0.490 67.456 68.654 5 TYR -1.394 69.485 66.054 6 GLU -4.336 69.443 68.457 7 ASP -2.167 70.974 71.193 8 TYR -1.707 74.100 69.097 9 GLN -5.410 74.039 68.233 10 ASP -6.383 73.721 71.885 11 THR -4.324 76.749 72.783 12 ALA -5.568 78.825 69.846 13 LYS -9.215 78.008 70.621 14 TRP -8.589 78.912 74.264 15 LEU -7.337 82.360 73.288 16 LEU -10.055 82.964 70.688 17 SER -12.646 82.231 73.364 18 HIS -11.128 84.498 76.038 19 THR -10.816 87.700 74.031 20 GLU -12.786 89.440 71.286 21 GLN -9.542 90.544 69.640 22 ARG -8.719 88.884 66.297 23 PRO -5.091 89.789 65.405 24 GLN -3.779 89.844 61.843 25 VAL -0.249 90.681 63.014 26 ALA 1.944 89.229 65.796 27 VAL 4.974 90.998 67.287 28 ILE 7.653 89.297 69.386 29 CYS 9.329 91.739 71.779 30 GLY 12.937 90.988 72.706 31 SER 15.107 91.949 75.688 32 GLY 14.133 95.378 76.996 33 LEU 11.609 95.881 74.194 34 GLY 8.482 95.109 76.195 35 GLY 7.522 98.771 75.934 36 LEU 6.252 98.139 72.401 37 VAL 2.858 97.212 73.924 38 ASN 2.458 100.623 75.585 39 LYS 0.346 102.299 72.904 40 LEU -2.016 99.416 72.167 41 THR -5.687 100.308 72.573 42 GLN -8.428 97.967 73.810 43 ALA -5.565 95.904 75.202 44 GLN -6.099 92.561 76.903 45 THR -3.223 90.809 78.656 46 PHE -2.665 87.113 79.402 47 ASP 0.282 85.988 81.519 48 TYR 1.980 83.114 79.693 49 SER 1.340 81.013 82.810 50 GLU -2.430 81.149 82.295 51 ILE -2.291 80.025 78.653 52 PRO -2.362 76.236 78.190 53 ASN 0.869 74.787 76.722 54 PHE 2.769 78.096 76.750 55 PRO 6.399 78.091 78.011 56 GLU 7.586 80.655 80.615 57 SER 9.856 83.696 80.205 58 THR 12.650 83.458 82.787 59 VAL 14.995 86.148 81.447 60 PRO 15.074 89.662 82.946 61 GLY 13.563 92.155 80.506 62 HIS 10.923 89.656 79.355 63 ALA 7.575 90.238 81.085 64 GLY 6.110 86.912 80.001 65 ARG 2.732 88.198 78.810 66 LEU 0.694 87.975 75.610 67 VAL -0.980 91.298 74.852 68 PHE -3.772 91.659 72.286 69 GLY -4.765 95.112 71.131 70 ILE -5.034 97.621 68.336 71 LEU -1.962 99.438 67.041 72 ASN -2.401 102.154 64.419 73 GLY -5.771 100.699 63.459 74 ARG -4.286 97.227 63.113 75 ALA -5.344 94.292 65.277 76 CYS -2.167 92.804 66.740 77 VAL -1.006 90.389 69.428 78 MET 2.325 90.964 71.131 79 MET 4.620 88.569 72.915 80 GLN 5.877 90.819 75.713 81 GLY 8.984 88.731 76.264 82 ARG 10.068 85.547 74.477 83 PHE 11.798 82.195 75.067 84 HIS 15.373 81.069 74.389 85 MET 17.146 77.765 73.941 86 TYR 19.644 78.764 76.651 87 GLU 16.780 78.728 79.192 88 GLY 16.668 74.984 78.576 89 TYR 13.899 75.064 75.964 90 PRO 14.095 72.952 72.825 91 PHE 13.168 74.973 69.725 92 TRP 9.808 73.220 69.441 93 LYS 8.909 74.890 72.750 94 VAL 10.573 78.235 71.971 95 THR 8.496 78.531 68.789 96 PHE 5.189 77.134 70.094 97 PRO 3.492 80.581 70.000 98 VAL 4.261 81.079 66.306 99 ARG 2.099 78.153 65.236 100 VAL -0.591 79.174 67.722 101 PHE -0.666 82.626 66.100 102 ARG -1.134 81.037 62.677 103 LEU -4.073 79.033 64.053 104 LEU -5.529 82.317 65.396 105 GLY -5.619 83.726 61.881 106 VAL -2.440 85.804 62.072 107 GLU -0.814 86.461 58.706 108 THR 2.304 88.504 59.521 109 LEU 4.978 88.085 62.173 110 VAL 7.264 90.895 63.261 111 VAL 10.304 89.715 65.224 112 THR 12.489 92.030 67.276 113 ASN 15.519 91.468 69.445 114 ALA 18.421 93.055 71.264 115 ALA 21.661 92.185 69.463 116 GLY 25.385 92.723 69.659 117 GLY 26.815 94.669 66.759 118 LEU 29.453 92.959 64.615 119 ASN 29.389 95.520 61.796 120 PRO 31.940 98.160 62.911 121 ASN 29.776 100.928 61.433 122 PHE 26.925 100.152 63.810 123 GLU 26.451 102.289 66.908 124 VAL 24.546 101.475 70.077 125 GLY 20.925 102.512 69.610 126 ASP 20.955 101.670 65.899 127 ILE 17.978 99.814 64.427 128 MET 18.998 97.094 62.000 129 LEU 16.477 95.622 59.570 130 ILE 17.065 91.874 59.358 131 ARG 17.612 91.184 55.669 132 ASP 18.859 87.633 56.237 133 HIS 20.126 85.251 58.917 134 ILE 22.712 82.585 59.677 135 ASN 21.402 79.707 61.792 136 LEU 24.397 78.158 63.557 137 PRO 22.361 75.731 65.705 138 GLY 20.624 74.681 62.484 139 PHE 23.986 73.679 61.010 140 SER 24.128 71.009 63.746 141 GLY 20.538 69.823 63.328 142 GLU 19.103 71.848 66.235 143 ASN 15.945 72.938 64.426 144 PRO 12.265 73.460 65.398 145 LEU 11.291 71.526 62.254 146 ARG 13.304 68.450 63.243 147 GLY 11.232 65.271 63.385 148 PRO 8.058 64.211 61.528 149 ASN 6.692 67.030 59.386 150 GLU 3.159 68.271 60.085 151 GLU 1.744 68.805 56.600 152 ARG -1.108 70.867 58.062 153 PHE 1.456 73.546 58.884 154 GLY 3.904 73.325 55.992 155 VAL 6.135 71.294 53.672 156 ARG 9.006 68.955 54.560 157 PHE 11.746 71.117 53.026 158 PRO 10.844 74.801 53.353 159 ALA 12.994 77.384 51.551 160 MET 14.561 80.116 53.685 161 SER 16.311 82.259 51.037 162 ASP 13.284 84.603 50.925 163 ALA 12.391 84.522 54.631 164 TYR 12.472 88.261 55.299 165 ASP 9.751 89.856 53.160 166 ARG 11.308 92.087 50.490 167 ASP 8.284 94.355 50.173 168 MET 8.070 95.002 53.923 169 ARG 11.740 95.972 54.099 170 GLN 11.151 98.540 51.345 171 LYS 8.262 100.033 53.339 172 ALA 10.387 99.906 56.490 173 HIS 12.973 102.131 54.815 174 SER 10.330 104.470 53.388 175 THR 8.683 104.722 56.801 176 TRP 11.975 105.385 58.578 177 LYS 12.453 108.379 56.262 178 GLN 9.171 109.865 57.515 179 MET 10.500 109.769 61.071 180 GLY 13.280 112.256 60.353 181 GLU 15.791 110.323 62.469 182 GLN 19.443 111.320 62.815 183 ARG 20.835 107.848 62.119 184 GLU 19.937 105.886 59.019 185 LEU 17.973 102.637 59.257 186 GLN 20.641 99.915 59.180 187 GLU 20.191 96.590 57.406 188 GLY 22.096 93.343 57.638 189 THR 22.547 89.707 58.512 190 TYR 21.669 88.381 61.955 191 VAL 23.557 85.322 63.192 192 MET 22.080 83.251 65.986 193 LEU 24.163 81.198 68.427 194 GLY 23.079 79.381 71.590 195 GLY 24.359 81.407 74.517 196 PRO 23.961 82.228 77.394 197 ASN 27.549 83.432 77.720 198 PHE 28.585 86.461 75.683 199 GLU 31.138 85.910 72.878 200 THR 34.931 85.796 73.080 201 VAL 37.025 88.101 70.893 202 ALA 38.016 85.211 68.623 203 GLU 34.366 84.215 68.217 204 CYS 33.407 87.811 67.482 205 ARG 35.999 88.105 64.701 206 LEU 34.972 84.763 63.227 207 LEU 31.245 85.632 63.227 208 ARG 31.908 88.927 61.456 209 ASN 33.992 87.019 58.918 210 LEU 30.994 84.758 58.254 211 GLY 29.293 87.897 56.974 212 ALA 27.181 88.570 60.062 213 ASP 26.266 92.127 61.057 214 ALA 24.642 91.404 64.423 215 VAL 24.657 88.490 66.872 216 GLY 22.004 87.133 69.204 217 MET 20.574 84.015 70.863 218 SER 16.994 84.104 69.537 219 THR 14.704 84.977 66.625 220 VAL 15.953 82.627 63.890 221 PRO 13.971 79.568 65.093 222 GLU 10.807 81.691 65.238 223 VAL 11.381 82.907 61.678 224 ILE 11.918 79.365 60.396 225 VAL 8.651 78.140 61.931 226 ALA 6.855 81.275 60.674 227 ARG 7.943 80.712 57.090 228 HIS 7.190 76.990 57.332 229 CYS 3.566 77.723 58.259 230 GLY 3.167 80.508 55.716 231 LEU 3.553 83.694 57.738 232 ARG 4.985 86.807 56.104 233 VAL 8.016 87.784 58.172 234 PHE 9.678 91.099 58.960 235 GLY 12.152 91.900 61.708 236 PHE 14.847 94.053 63.228 237 SER 17.556 94.127 65.835 238 LEU 18.201 96.960 68.220 239 ILE 21.994 97.203 68.454 240 THR 22.262 97.271 72.258 241 ASN 26.037 96.901 72.472 242 LYS 29.110 96.623 70.276 243 VAL 30.696 93.199 70.717 244 ILE 34.290 93.394 71.995 245 MET 36.614 92.852 69.005 246 ASP 40.109 93.190 70.473 247 TYR 42.142 92.100 73.474 248 GLU 43.187 95.638 74.371 249 SER 39.632 96.789 75.127 250 GLN 38.433 97.075 78.719 251 GLY 34.804 96.746 77.692 252 LYS 32.626 93.759 78.579 253 ALA 29.152 92.755 77.396 254 ASN 26.474 92.648 80.094 255 HIS 22.695 92.180 80.145 256 GLU 22.115 95.201 82.400 257 GLU 23.441 97.615 79.781 258 VAL 21.586 95.688 77.080 259 LEU 18.365 96.362 78.980 260 GLU 19.296 100.008 79.449 261 ALA 19.849 100.455 75.711 262 GLY 16.445 98.939 75.019 263 LYS 14.812 101.450 77.328 264 GLN 16.581 104.395 75.699 265 ALA 15.463 103.254 72.229 266 ALA 12.007 101.987 73.243 267 GLN 10.258 105.245 72.302 268 LYS 11.758 105.511 68.809 269 LEU 11.103 101.817 68.236 270 GLU 7.459 102.125 69.243 271 GLN 6.791 104.898 66.707 272 PHE 8.591 102.963 63.973 273 VAL 6.617 99.789 64.650 274 SER 3.316 101.661 64.893 275 LEU 3.957 103.496 61.625 276 LEU 4.733 100.122 60.047 277 MET 1.339 98.710 61.032 278 ALA -0.101 100.915 58.292 279 SER 2.261 99.213 55.824 280 ILE 0.812 95.788 56.649 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 C C C H H H H H H H 10 H H H H H H H H H S 20 S S S S/S S S S S S S/T 30 T T T C C C C C S S 40 S S/S S S S S S/T T T T/S 50 S S S/S S S S S S S C 60 C C S S S S/S S S S S/T 70 T T T/S S S S S S S S 80 S S S S/T T T T C C H 90 H H H H H H/H H H H H 100 H H H H H/S S S S/S S S 110 S S S S S S/S S S S C 120 S S S S S S S S S S 130 C S S S S/H H H H H H 140 H C C C C C S S S S/T 150 T T T C C S S S S S 160 S C C C H H H H H H 170 H H H H H H H H H C 180 C S S S S/S S S S S S 190 S S S S C/P S S S S S/H 200 H H H H H H H H H H 210 H/S S S S/S S S S C H H 220 H H H H H H H H H H/S 230 S S S S S S S S S S/S 240 S S S S C C C C C S 250 S S S S/H H H H H H H 260 H H H H H H/H H H H H 270 H H H H H H H 3 3/S S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 h H H H H H H 10 H H H H H H H H h S 20 e E E E E E t 30 T T g G G G G g T t 40 E E E E E E E e G G 50 g T T t t T 60 T t e E E E E E E 70 E T T E E E E E E E 80 e g G G G g t h 90 H H H H h H H H H H 100 H H H h T t e E E E 110 E E E E E E E e t T 120 T t t T T e E E E E 130 E E E E E H H H H h 140 T t t T T t S S t 150 T T T t S S t 160 T T t B h H H H H H 170 H H H H H H H H h T 180 t S S E E E E E 190 E E e S S h 200 H H H H H H H H H h 210 T t e E E E S S 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 E e t T T t 250 h H H H H H H 260 H H H H H H H H H H 270 H H H H H H H h T t Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 ASN 96.2 79.6 68.8 2 GLY 10.2 29.2 60.6 3 TYR 164.1 90.6 50.0 4 THR 31.8 29.7 82.4 5 TYR 157.7 87.1 52.0 6 GLU 54.8 39.5 80.5 7 ASP 77.9 70.5 62.7 8 TYR 176.8 97.7 45.8 9 GLN 91.3 61.5 59.1 10 ASP 31.4 28.4 75.1 11 THR 106.9 100.0 38.4 12 ALA 72.6 100.0 45.3 13 LYS 65.3 37.6 71.8 14 TRP 148.2 72.3 52.0 15 LEU 147.5 99.8 24.9 16 LEU 109.3 73.9 62.1 17 SER 26.1 31.2 80.6 18 HIS 72.9 48.6 67.3 19 THR 101.6 95.0 52.5 20 GLU 35.3 25.5 85.4 21 GLN 136.9 92.1 54.9 22 ARG 99.5 47.7 70.1 23 PRO 123.8 99.5 43.4 24 GLN 81.5 54.9 68.6 25 VAL 118.8 100.0 34.1 26 ALA 72.6 100.0 34.7 27 VAL 118.8 100.0 29.9 28 ILE 143.0 99.7 39.9 29 CYS 99.2 100.0 49.9 30 GLY 34.8 100.0 64.5 31 SER 71.9 86.0 51.9 32 GLY 22.5 64.7 62.4 33 LEU 147.1 99.5 47.0 34 GLY 23.8 68.4 65.1 35 GLY 22.3 64.2 75.9 36 LEU 147.0 99.4 37.2 37 VAL 103.9 87.5 50.3 38 ASN 40.9 33.8 73.3 39 LYS 49.8 28.7 71.7 40 LEU 147.8 100.0 43.8 41 THR 30.8 28.8 76.8 42 GLN 38.2 25.7 81.1 43 ALA 47.0 64.8 68.4 44 GLN 90.3 60.8 69.7 45 THR 67.6 63.2 60.1 46 PHE 158.8 95.2 43.6 47 ASP 50.3 45.5 75.8 48 TYR 178.2 98.5 45.9 49 SER 9.4 11.3 79.2 50 GLU 63.2 45.6 68.1 51 ILE 143.5 100.0 29.2 52 PRO 67.1 53.9 65.2 53 ASN 68.2 56.4 63.8 54 PHE 166.8 100.0 27.9 55 PRO 115.2 92.6 38.0 56 GLU 26.8 19.3 71.4 57 SER 83.4 99.8 52.8 58 THR 45.8 42.8 74.6 59 VAL 103.2 86.9 57.0 60 PRO 35.1 28.2 72.0 61 GLY 18.7 53.6 64.0 62 HIS 149.9 99.8 61.0 63 ALA 39.9 54.9 73.0 64 GLY 29.8 85.6 59.3 65 ARG 94.0 45.0 71.2 66 LEU 147.8 100.0 25.6 67 VAL 112.6 94.7 47.7 68 PHE 165.3 99.1 32.5 69 GLY 34.8 100.0 56.1 70 ILE 97.6 68.0 73.9 71 LEU 140.5 95.1 42.7 72 ASN 68.9 57.0 69.1 73 GLY 3.2 9.1 71.5 74 ARG 166.7 79.8 61.1 75 ALA 49.6 68.3 65.7 76 CYS 99.2 100.0 40.1 77 VAL 118.8 100.0 26.9 78 MET 159.4 100.0 34.0 79 MET 157.4 98.7 34.6 80 GLN 122.4 82.4 46.4 81 GLY 34.5 99.0 62.8 82 ARG 207.2 99.2 52.1 83 PHE 166.8 100.0 39.0 84 HIS 140.3 93.4 49.0 85 MET 120.3 75.5 52.5 86 TYR 145.1 80.2 46.9 87 GLU 127.2 91.7 57.4 88 GLY 0.0 0.0 83.2 89 TYR 153.2 84.6 48.0 90 PRO 73.5 59.1 62.5 91 PHE 162.5 97.4 35.4 92 TRP 144.0 70.2 58.3 93 LYS 100.1 57.7 52.6 94 VAL 117.0 98.5 46.2 95 THR 103.5 96.8 36.9 96 PHE 166.2 99.6 38.7 97 PRO 123.9 99.5 29.4 98 VAL 118.1 99.4 30.7 99 ARG 191.6 91.7 43.6 100 VAL 118.8 100.0 31.1 101 PHE 166.7 99.9 24.8 102 ARG 141.9 67.9 58.1 103 LEU 119.4 80.8 54.4 104 LEU 147.2 99.6 34.3 105 GLY 1.7 4.9 87.4 106 VAL 118.8 100.0 42.2 107 GLU 46.0 33.2 83.6 108 THR 106.1 99.3 40.8 109 LEU 147.8 100.0 29.5 110 VAL 116.8 98.3 28.2 111 VAL 118.8 100.0 38.8 112 THR 106.9 100.0 42.7 113 ASN 118.6 98.1 54.2 114 ALA 69.2 95.3 57.5 115 ALA 69.7 96.0 61.4 116 GLY 32.2 92.6 65.7 117 GLY 34.7 99.6 48.5 118 LEU 147.1 99.5 40.0 119 ASN 99.0 81.9 58.4 120 PRO 46.3 37.2 87.8 121 ASN 19.4 16.0 83.7 122 PHE 164.1 98.4 49.7 123 GLU 63.9 46.1 74.4 124 VAL 62.4 52.6 61.2 125 GLY 18.6 53.4 64.6 126 ASP 107.5 97.2 52.6 127 ILE 143.5 100.0 30.4 128 MET 159.4 100.0 40.4 129 LEU 147.8 100.0 34.0 130 ILE 143.4 99.9 52.2 131 ARG 65.0 31.1 76.7 132 ASP 46.6 42.2 67.6 133 HIS 137.9 91.8 38.9 134 ILE 111.7 77.8 44.2 135 ASN 104.5 86.5 47.9 136 LEU 107.5 72.7 41.2 137 PRO 109.1 87.6 47.2 138 GLY 31.2 89.7 75.4 139 PHE 40.7 24.4 79.0 140 SER 12.3 14.7 82.8 141 GLY 4.1 11.8 78.7 142 GLU 56.5 40.7 60.1 143 ASN 83.7 69.2 50.9 144 PRO 122.6 98.4 45.2 145 LEU 129.9 87.9 56.5 146 ARG 32.4 15.5 89.4 147 GLY 13.4 38.6 66.3 148 PRO 6.7 5.4 84.4 149 ASN 108.5 89.7 69.8 150 GLU 97.2 70.1 64.3 151 GLU 34.1 24.6 84.4 152 ARG 86.6 41.5 75.4 153 PHE 163.4 97.9 38.7 154 GLY 24.1 69.2 70.7 155 VAL 35.3 29.7 77.7 156 ARG 118.5 56.7 66.1 157 PHE 10.6 6.3 77.8 158 PRO 106.7 85.7 51.7 159 ALA 11.2 15.5 88.1 160 MET 123.6 77.5 55.6 161 SER 1.9 2.3 83.4 162 ASP 27.4 24.8 87.8 163 ALA 71.5 98.5 46.2 164 TYR 179.1 99.0 46.9 165 ASP 75.9 68.7 64.9 166 ARG 53.5 25.6 90.6 167 ASP 51.2 46.3 83.7 168 MET 151.4 95.0 33.4 169 ARG 178.4 85.4 59.5 170 GLN 59.4 40.0 78.4 171 LYS 93.6 54.0 68.3 172 ALA 72.6 100.0 35.8 173 HIS 101.5 67.6 68.4 174 SER 16.9 20.3 75.5 175 THR 97.3 91.0 52.9 176 TRP 191.1 93.2 38.9 177 LYS 43.1 24.9 75.6 178 GLN 31.0 20.9 79.5 179 MET 150.5 94.4 49.7 180 GLY 0.0 0.0 87.6 181 GLU 115.3 83.2 61.2 182 GLN 13.8 9.3 87.0 183 ARG 119.4 57.1 76.3 184 GLU 36.1 26.1 84.4 185 LEU 147.3 99.6 38.0 186 GLN 120.2 80.9 60.0 187 GLU 102.6 74.0 57.1 188 GLY 26.9 77.2 51.9 189 THR 82.6 77.3 58.6 190 TYR 180.5 99.7 50.7 191 VAL 118.8 100.0 31.1 192 MET 158.7 99.5 43.0 193 LEU 118.6 80.2 43.3 194 GLY 20.8 59.7 56.3 195 GLY 32.8 94.1 52.5 196 PRO 46.3 37.2 69.1 197 ASN 21.8 18.0 80.0 198 PHE 104.2 62.4 68.0 199 GLU 126.1 91.0 40.1 200 THR 33.2 31.0 79.1 201 VAL 104.3 87.8 55.3 202 ALA 17.9 24.7 79.3 203 GLU 71.5 51.6 60.3 204 CYS 98.5 99.3 39.0 205 ARG 115.4 55.3 62.1 206 LEU 57.9 39.2 62.9 207 LEU 143.3 96.9 25.7 208 ARG 140.8 67.4 64.6 209 ASN 18.5 15.3 80.3 210 LEU 83.0 56.2 56.3 211 GLY 1.9 5.5 84.2 212 ALA 72.6 100.0 45.7 213 ASP 92.9 84.1 60.0 214 ALA 72.6 100.0 39.1 215 VAL 116.5 98.1 38.1 216 GLY 26.5 76.2 58.5 217 MET 135.7 85.1 51.3 218 SER 76.2 91.1 57.5 219 THR 106.8 99.9 47.1 220 VAL 118.8 100.0 41.7 221 PRO 121.6 97.7 29.3 222 GLU 136.8 98.7 41.1 223 VAL 118.8 100.0 34.0 224 ILE 135.6 94.5 45.7 225 VAL 117.6 99.0 46.4 226 ALA 72.6 100.0 36.7 227 ARG 153.9 73.7 66.3 228 HIS 149.1 99.3 57.2 229 CYS 99.0 99.8 47.2 230 GLY 8.9 25.6 85.3 231 LEU 147.8 100.0 46.5 232 ARG 113.5 54.4 68.8 233 VAL 118.8 100.0 39.5 234 PHE 166.5 99.8 24.8 235 GLY 34.8 100.0 40.5 236 PHE 166.8 100.0 26.3 237 SER 83.6 100.0 43.9 238 LEU 147.8 100.0 39.4 239 ILE 143.5 100.0 43.0 240 THR 106.2 99.3 44.3 241 ASN 96.8 80.1 45.8 242 LYS 99.2 57.2 76.7 243 VAL 110.7 93.2 51.0 244 ILE 99.7 69.5 73.3 245 MET 85.4 53.6 63.1 246 ASP 62.0 56.1 64.1 247 TYR 61.5 34.0 77.5 248 GLU 14.2 10.2 83.7 249 SER 54.3 65.0 67.8 250 GLN 0.0 0.0 93.5 251 GLY 7.2 20.6 73.2 252 LYS 17.2 9.9 88.2 253 ALA 57.7 79.5 54.4 254 ASN 78.8 65.1 68.1 255 HIS 107.8 71.8 50.1 256 GLU 20.9 15.1 75.3 257 GLU 33.3 24.0 82.8 258 VAL 109.4 92.1 52.5 259 LEU 107.8 72.9 57.8 260 GLU 56.2 40.6 70.0 261 ALA 63.3 87.2 52.9 262 GLY 34.8 100.0 57.7 263 LYS 52.9 30.5 84.1 264 GLN 51.2 34.4 75.5 265 ALA 68.6 94.5 55.0 266 ALA 55.6 76.6 67.2 267 GLN 44.6 30.0 77.7 268 LYS 139.5 80.4 57.9 269 LEU 147.7 100.0 25.2 270 GLU 121.4 87.6 54.6 271 GLN 73.8 49.7 67.9 272 PHE 166.8 100.0 26.0 273 VAL 117.6 99.0 26.3 274 SER 59.6 71.3 56.3 275 LEU 82.4 55.8 68.8 276 LEU 144.9 98.1 39.3 277 MET 158.9 99.7 32.6 278 ALA 29.9 41.1 88.3 279 SER 63.6 76.1 56.2 280 ILE 132.1 92.1 39.5