Protein Data Bank File : 3tdt Title : ACYLTRANSFERASE 06-MAY-98 3TDT Number of Amino Acid Residues : 274 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 MET GLN GLN LEU GLN ASN VAL ILE GLU SER 10 ALA PHE GLU ARG ARG ALA ASP ILE THR PRO 20 ALA ASN VAL ASP THR VAL THR ARG GLU ALA 30 VAL ASN GLN VAL ILE GLY LEU LEU ASP SER 40 GLY ALA LEU ARG VAL ALA GLU LYS ILE ASP 50 GLY GLN TRP VAL THR HIS GLN TRP LEU LYS 60 LYS ALA VAL LEU LEU SER PHE ARG ILE ASN 70 ASP ASN LYS VAL MET ASP GLY ALA GLU THR 80 ARG TYR TYR ASP LYS VAL PRO MET LYS PHE 90 ALA ASP TYR ASP GLU ALA ARG PHE GLN LYS 100 GLU GLY PHE ARG VAL VAL PRO PRO ALA THR 110 VAL ARG GLN GLY ALA PHE ILE ALA ARG ASN 120 THR VAL LEU MET PRO SER TYR VAL ASN ILE 130 GLY ALA TYR VAL ASP GLU GLY THR MET VAL 140 ASP THR TRP ALA THR VAL GLY SER CYS ALA 150 GLN ILE GLY LYS ASN VAL HIS LEU SER GLY 160 GLY VAL GLY ILE GLY GLY VAL LEU GLU PRO 170 LEU GLN ALA ASN PRO THR ILE ILE GLU ASP 180 ASN CYS PHE ILE GLY ALA ARG SER GLU VAL 190 VAL GLU GLY VAL ILE VAL GLU GLU GLY SER 200 VAL ILE SER MET GLY VAL TYR LEU GLY GLN 210 SER THR ARG ILE TYR ASP ARG GLU THR GLY 220 GLU ILE HIS TYR GLY ARG VAL PRO ALA GLY 230 SER VAL VAL VAL SER GLY ASN LEU PRO SER 240 LYS ASP GLY SER TYR SER LEU TYR CYS ALA 250 VAL ILE VAL LYS LYS VAL ASP ALA LYS THR 260 ARG GLY LYS VAL GLY ILE ASN GLU LEU LEU 270 ARG THR ILE ASP Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 MET 0.0 100.0 -176.3 -8.9 -138.9 -19.3 2 GLN -55.7 -46.7 -179.4 0.0 0.0 0.0 3 GLN -54.8 -29.4 -178.9 -82.8 -174.5 66.0 4 LEU -93.1 -46.7 -177.2 -71.3 -172.0 5 GLN -55.8 -39.1 -179.3 -175.2 179.1 -7.6 6 ASN -57.6 -52.9 179.5 -87.4 -31.8 7 VAL -58.8 -45.9 -179.5 174.2 8 ILE -57.2 -48.5 -177.1 -65.4 -40.4 9 GLU -69.9 -22.2 179.1 -60.7 176.8 7.1 10 SER -78.8 -49.1 -179.5 -54.9 11 ALA -60.2 -43.4 -177.8 12 PHE -52.1 -35.4 -178.3 -167.9 76.2 13 GLU -64.7 -31.7 178.7 0.0 0.0 0.0 14 ARG -97.0 14.4 -176.4 -38.1 -178.8 -56.7 124.6 15 ARG -39.6 -51.2 -178.4 55.7 -176.5 125.2 107.5 16 ALA -61.9 -24.5 -178.1 17 ASP -101.7 2.8 -179.2 -52.2 -86.8 18 ILE -94.0 137.3 178.7 -59.9 171.3 19 THR -137.7 166.8 -180.0 67.4 20 PRO -61.0 -20.3 -178.6 -32.0 35.9 21 ALA -90.6 -39.5 -176.7 22 ASN -88.2 -12.7 -178.8 71.7 16.2 23 VAL -61.9 132.6 178.9 55.7 24 ASP -77.7 149.8 -177.1 57.0 -77.1 25 THR -55.5 -26.7 179.1 69.5 26 VAL -67.2 -47.2 179.8 169.2 27 THR -67.4 -43.6 179.4 -66.9 28 ARG -54.9 -54.1 -177.9 178.9 172.1 -117.6 109.1 29 GLU -61.4 -40.7 179.8 -80.4 173.5 -10.5 30 ALA -63.2 -49.0 -177.0 31 VAL -61.4 -44.7 178.3 166.9 32 ASN -57.9 -38.6 -178.7 -77.5 -19.0 33 GLN -65.3 -44.7 -178.0 -72.0 -75.3 141.0 34 VAL -62.3 -41.3 178.4 169.9 35 ILE -61.9 -34.1 -179.1 -62.7 -60.0 36 GLY -68.8 -33.9 -179.5 37 LEU -71.7 -36.5 177.2 -73.2 172.5 38 LEU -69.1 -40.9 -179.4 -73.5 174.1 39 ASP -55.5 -38.4 -175.2 -168.5 68.5 40 SER -90.9 -5.5 179.6 69.6 41 GLY 84.8 -0.1 176.4 42 ALA -64.1 -34.2 176.0 43 LEU -125.0 155.9 179.2 -74.8 171.7 44 ARG -148.1 144.6 -175.1 71.0 -166.0 -78.6 172.1 45 VAL -63.8 -32.3 176.0 -176.6 46 ALA -140.3 149.1 179.9 47 GLU -149.6 154.2 -176.2 77.3 -171.6 -58.7 48 LYS -94.3 124.2 179.2 -164.8 139.6 101.3 139.1 49 ILE -131.4 126.1 179.6 -41.1 -84.0 50 ASP 53.8 39.6 178.5 -60.0 -11.1 51 GLY 74.3 21.5 176.6 52 GLN -138.4 138.6 177.4 0.0 0.0 0.0 53 TRP -83.7 129.2 176.4 -81.4 92.3 54 VAL -117.3 142.7 179.2 -36.0 55 THR -103.4 128.9 172.8 -58.1 56 HIS -88.1 91.0 -178.8 -62.5 -30.0 57 GLN -53.6 -33.1 -179.2 -68.3 -56.4 -21.3 58 TRP -74.1 -20.0 175.8 70.6 -76.4 59 LEU -75.9 -33.2 176.3 -72.8 -178.2 60 LYS -65.0 -41.5 176.2 -153.8 -179.9 88.1 -165.8 61 LYS -58.8 -45.5 179.2 -72.0 -170.2 -153.0 -63.2 62 ALA -59.8 -40.0 -178.8 63 VAL -60.8 -50.3 176.6 170.4 64 LEU -54.8 -46.3 -177.5 -80.1 137.7 65 LEU -64.8 -26.7 -179.1 -72.8 161.4 66 SER -59.4 -27.0 179.3 53.6 67 PHE -77.8 -13.0 -179.8 -71.6 -85.0 68 ARG -99.4 -20.6 -174.7 -64.8 -49.2 -64.6 -176.9 69 ILE -101.7 -19.9 -178.8 72.0 122.6 70 ASN -105.3 145.0 176.1 -60.1 -67.9 71 ASP -98.8 155.9 179.1 -149.9 -2.1 72 ASN -65.9 152.9 179.3 -71.9 -44.9 73 LYS -143.2 144.5 178.3 171.0 -172.3 153.1 -87.5 74 VAL -72.4 134.2 179.6 169.1 75 MET -118.6 126.9 -176.5 -59.9 -168.0 -164.6 76 ASP -87.9 113.5 174.2 -85.0 59.4 77 GLY -82.7 -162.9 179.8 78 ALA -99.9 -58.2 178.6 79 GLU -83.8 -17.4 -175.6 64.7 -76.5 10.1 80 THR -140.2 -175.7 -178.6 -176.1 81 ARG -138.1 153.6 -178.9 -57.7 -133.5 -110.9 -87.5 82 TYR -125.7 168.1 -176.8 -43.0 -79.7 83 TYR -147.7 99.4 -175.8 -169.2 60.3 84 ASP -150.9 170.8 -175.8 -174.1 32.6 85 LYS -112.4 8.6 177.9 52.7 178.6 96.8 -177.3 86 VAL -118.6 121.2 179.3 -175.6 87 PRO -64.7 160.1 177.1 -19.0 25.9 88 MET -82.9 127.2 -178.2 -60.7 -85.5 84.4 89 LYS -52.8 -44.5 -172.7 -175.8 -179.6 173.1 91.8 90 PHE -92.4 5.4 -175.8 -55.9 -56.6 91 ALA -54.8 -31.5 -179.3 92 ASP -102.9 -0.3 -178.1 0.0 0.0 93 TYR -67.1 144.0 174.2 -82.4 43.4 94 ASP -114.2 179.7 -179.0 47.6 26.8 95 GLU -62.5 -37.5 -179.2 173.5 178.1 23.2 96 ALA -60.5 -44.3 179.1 97 ARG -65.4 -47.8 -179.6 -170.0 148.6 173.3 -155.3 98 PHE -59.5 -45.4 179.9 -89.0 -59.6 99 GLN -56.8 -39.5 178.3 -146.8 159.7 -164.6 100 LYS -74.2 -37.9 -176.7 -52.6 -172.2 11.9 -112.8 101 GLU -75.5 -19.8 171.5 -52.6 -156.7 6.9 102 GLY 64.5 34.4 176.4 103 PHE -123.6 169.0 -179.1 43.8 71.5 104 ARG -113.8 134.4 -177.5 -165.0 153.7 46.6 92.3 105 VAL -122.4 101.4 -176.3 -176.3 106 VAL -83.6 124.0 -179.2 -171.5 107 PRO -65.7 137.2 3.6 -1.8 1.0 108 PRO -102.5 40.6 179.1 35.1 -38.6 109 ALA -46.0 142.8 -178.8 110 THR -136.4 138.2 179.4 -59.9 111 VAL -132.7 136.1 178.0 -172.3 112 ARG -81.8 150.7 175.9 -94.1 178.0 159.0 172.3 113 GLN -66.1 140.7 -178.4 -173.4 -169.1 73.4 114 GLY 105.6 3.5 178.5 115 ALA -114.1 140.7 179.5 116 PHE -98.3 127.1 176.4 175.9 66.9 117 ILE -115.7 122.4 -177.7 -56.4 -55.2 118 ALA -85.5 168.4 179.5 119 ARG -58.9 149.3 174.3 -148.6 -170.4 51.2 94.4 120 ASN 65.4 24.4 176.1 -141.3 37.8 121 THR -103.2 164.5 177.5 53.6 122 VAL -131.0 122.6 174.9 176.0 123 LEU -104.7 108.3 171.7 -55.9 172.5 124 MET -71.4 -179.3 179.8 -69.4 -63.4 -68.0 125 PRO -58.5 117.4 -171.3 -32.3 40.5 126 SER -168.4 -175.7 -179.0 53.8 127 TYR -133.1 130.4 175.5 -165.1 60.4 128 VAL -122.4 116.5 -174.6 -178.2 129 ASN -88.1 163.2 -177.3 -152.1 -9.3 130 ILE -49.7 138.1 177.3 -177.7 158.8 131 GLY 85.2 -8.9 -178.9 132 ALA -76.0 161.1 179.9 133 TYR -134.8 119.6 -179.4 -171.1 -76.5 134 VAL -115.5 109.3 -174.2 -178.8 135 ASP -77.9 169.4 -175.1 -141.9 -22.7 136 GLU -48.8 138.1 175.8 -47.5 -169.5 -35.2 137 GLY 82.1 -11.9 -176.9 138 THR -71.3 146.6 173.0 -71.0 139 MET -118.5 133.3 177.8 -178.5 -176.3 -79.4 140 VAL -110.0 103.7 -176.2 -177.7 141 ASP -74.2 176.7 -172.9 -143.6 -25.2 142 THR -54.3 125.5 -179.4 -46.3 143 TRP 62.5 25.0 175.7 -44.1 134.0 144 ALA -83.9 163.3 177.6 145 THR -136.4 134.2 176.5 -66.1 146 VAL -109.9 104.4 -176.3 177.9 147 GLY -62.3 167.7 -176.2 148 SER -56.3 134.5 175.6 50.4 149 CYS 66.0 1.7 179.2 -62.4 150 ALA -64.7 150.0 -178.5 151 GLN -117.9 118.9 -178.5 -56.6 -68.9 -51.3 152 ILE -114.3 129.3 -178.1 -48.4 -56.4 153 GLY -72.6 -173.9 179.3 154 LYS -79.0 152.4 177.2 -63.0 173.0 -160.7 -70.7 155 ASN 48.9 44.7 179.6 -55.2 -39.1 156 VAL -103.2 147.6 174.8 160.4 157 HIS -116.6 110.8 175.8 -179.3 96.8 158 LEU -96.4 108.4 -177.4 -59.0 -178.9 159 SER -64.8 173.8 -179.7 -66.0 160 GLY -56.0 137.0 175.6 161 GLY 64.1 18.3 180.0 162 VAL -83.3 143.0 177.7 151.2 163 GLY -120.8 128.5 175.8 164 ILE -108.6 118.3 -173.4 -58.1 -57.3 165 GLY -55.4 146.6 177.7 166 GLY -95.6 -163.8 -179.5 167 VAL -132.2 3.6 -175.6 -60.0 168 LEU -86.8 -46.2 177.3 -65.6 170.3 169 GLU -156.7 117.4 -1.8 -175.0 175.5 -58.4 170 PRO -65.5 155.4 -179.4 -19.8 27.1 171 LEU -65.9 136.0 -179.0 -165.1 90.0 172 GLN -124.6 151.2 178.5 -54.0 -74.0 -27.7 173 ALA -68.1 -48.7 -175.1 174 ASN -126.8 152.7 178.6 -64.7 -68.0 175 PRO -73.3 163.5 177.4 -1.2 12.4 176 THR -89.3 142.2 -175.2 -62.5 177 ILE -128.7 134.1 178.0 -61.1 155.4 178 ILE -123.1 113.4 -179.5 -53.4 -57.4 179 GLU -72.8 176.9 -176.9 -60.0 -164.2 -32.5 180 ASP -56.7 151.4 173.4 -64.7 -13.0 181 ASN 58.6 25.5 178.3 -56.3 -50.1 182 CYS -92.2 156.2 174.4 -73.0 183 PHE -120.7 123.8 178.1 175.5 89.1 184 ILE -112.6 115.0 -176.8 -46.9 -82.5 185 GLY -65.1 155.5 -174.2 186 ALA -51.4 143.0 178.3 187 ARG 62.1 12.3 178.2 -31.4 -85.6 137.4 -164.8 188 SER -85.5 164.9 -178.9 -68.3 189 GLU -140.0 134.7 179.6 -178.2 89.7 20.0 190 VAL -128.9 118.8 -175.0 -177.6 191 VAL -137.8 -179.2 173.0 -54.8 192 GLU 56.9 34.9 177.4 -60.9 169.0 -20.6 193 GLY 79.0 15.8 176.8 194 VAL -68.4 143.4 177.5 162.7 195 ILE -112.6 121.3 177.1 -65.0 159.1 196 VAL -98.8 106.5 -176.6 -178.1 197 GLU -67.4 151.6 -174.5 -66.3 -173.4 -9.0 198 GLU -46.5 141.0 178.6 78.7 178.0 -71.6 199 GLY 72.6 13.9 -179.7 200 SER -83.9 155.0 178.4 -64.4 201 VAL -125.3 114.2 179.0 165.1 202 ILE -100.4 124.1 -178.1 -55.6 -63.7 203 SER -71.0 -175.0 179.1 -167.0 204 MET -73.1 149.8 173.7 -62.4 178.4 -76.8 205 GLY 57.2 42.4 176.0 206 VAL -108.3 132.1 -177.1 168.2 207 TYR -119.4 115.0 -178.5 -55.3 -71.1 208 LEU -119.0 119.4 175.2 -56.4 171.2 209 GLY -133.5 -179.2 -178.6 210 GLN -64.1 -25.7 -178.5 -71.5 -74.0 -15.0 211 SER -86.0 -7.6 -177.2 -63.6 212 THR -74.4 126.9 176.1 -43.6 213 ARG -78.7 124.6 176.7 -75.9 168.8 -98.9 151.4 214 ILE -107.9 96.6 -173.3 -61.5 163.8 215 TYR -88.9 127.5 178.8 178.9 62.9 216 ASP -98.3 99.5 -177.1 -173.7 -40.5 217 ARG -56.0 -27.3 -179.7 61.3 172.3 -174.7 -176.2 218 GLU -73.3 -52.6 -177.5 -154.2 -174.0 -37.0 219 THR -92.6 -17.8 -177.7 76.6 220 GLY 81.7 -0.5 178.9 221 GLU -71.5 137.7 179.3 -175.9 -179.9 8.3 222 ILE -113.9 120.2 179.7 -67.8 -147.2 223 HIS -100.5 161.0 176.9 -50.2 -98.3 224 TYR -143.7 127.1 174.8 -74.8 -85.5 225 GLY 91.3 -6.3 180.0 226 ARG -166.6 152.5 -179.3 65.0 154.2 -166.3 124.4 227 VAL -109.8 113.8 -179.1 178.2 228 PRO -55.5 140.8 -178.5 -25.8 35.9 229 ALA -46.6 141.7 176.8 230 GLY 71.6 13.7 177.2 231 SER -84.7 154.5 172.8 -38.0 232 VAL -114.9 118.1 -176.0 177.9 233 VAL -113.7 138.6 176.5 -176.0 234 VAL -138.5 167.4 179.2 -56.3 235 SER -74.4 144.4 175.5 -72.9 236 GLY -158.7 -160.5 179.1 237 ASN -148.2 158.7 173.2 -100.2 -147.2 238 LEU -122.8 135.7 -176.6 -75.9 163.9 239 PRO -71.0 151.1 177.5 15.1 3.6 240 SER -74.6 174.2 178.4 57.8 241 LYS -61.8 -37.8 179.4 0.0 0.0 0.0 0.0 242 ASP -87.4 -1.7 179.1 41.2 33.0 243 GLY 69.3 9.8 -180.0 244 SER -65.9 -33.5 178.8 -168.1 245 TYR -159.7 176.2 177.9 64.4 -79.0 246 SER -137.6 156.7 -178.1 58.5 247 LEU -123.3 148.3 -177.3 -69.1 173.6 248 TYR -52.0 145.7 171.3 -178.8 87.1 249 CYS -159.7 168.3 176.4 71.6 250 ALA -103.8 137.6 179.7 251 VAL -118.6 129.6 176.1 -176.4 252 ILE -86.0 105.7 -175.1 -65.7 167.6 253 VAL -89.3 -20.3 -177.5 -71.3 254 LYS 179.7 175.7 178.8 76.5 -169.3 -129.6 179.7 255 LYS -100.0 143.2 -177.6 -155.5 -73.0 -142.5 173.3 256 VAL -49.8 129.2 179.0 -177.7 257 ASP -131.4 -170.4 -177.5 56.3 9.9 258 ALA -65.0 -39.1 -179.6 259 LYS -61.3 -41.2 178.2 154.5 164.4 -144.0 -147.7 260 THR -64.7 -52.3 179.0 -51.9 261 ARG -52.0 -28.4 -178.9 -74.7 -179.7 -95.0 -88.9 262 GLY -65.5 -21.2 -176.6 263 LYS -109.3 -6.1 -175.8 -31.8 -179.0 157.8 -147.4 264 VAL -129.0 16.1 -179.1 -49.7 265 GLY -68.1 146.7 176.8 266 ILE -74.9 145.4 179.3 -70.2 -105.1 267 ASN -101.3 101.7 -179.0 -177.0 -9.0 268 GLU -63.3 -20.6 -179.3 -24.9 -123.3 20.2 269 LEU -66.6 -21.6 -179.1 -69.9 -177.5 270 LEU -90.1 -6.7 -177.0 -57.1 178.2 271 ARG -82.0 -177.4 -178.2 -62.8 -53.4 -170.8 -81.8 272 THR -62.3 133.8 -177.5 -57.3 273 ILE -92.8 102.7 -176.4 -61.3 -166.5 274 ASP -70.4 100.4 0.0 0.0 0.0 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 MET -12.126 34.988 -7.661 2 GLN -15.748 36.113 -7.214 3 GLN -16.955 35.193 -10.668 4 LEU -15.986 31.613 -9.891 5 GLN -16.714 31.496 -6.200 6 ASN -20.274 32.685 -6.749 7 VAL -21.263 29.948 -9.192 8 ILE -19.585 27.361 -6.950 9 GLU -21.500 28.421 -3.848 10 SER -24.818 28.520 -5.650 11 ALA -24.342 25.062 -7.141 12 PHE -23.157 23.442 -3.910 13 GLU -26.540 24.096 -2.326 14 ARG -28.139 21.941 -5.117 15 ARG -25.376 19.285 -4.903 16 ALA -27.713 16.301 -4.473 17 ASP -29.763 17.107 -7.552 18 ILE -26.931 17.788 -9.879 19 THR -25.869 15.058 -12.228 20 PRO -23.562 14.951 -15.164 21 ALA -26.602 15.216 -17.417 22 ASN -28.595 17.965 -15.899 23 VAL -25.686 20.260 -14.947 24 ASP -25.696 23.599 -16.937 25 THR -22.553 24.627 -18.836 26 VAL -21.853 27.522 -16.494 27 THR -21.469 25.395 -13.378 28 ARG -19.585 22.773 -15.372 29 GLU -17.084 25.264 -16.811 30 ALA -16.581 26.982 -13.480 31 VAL -15.884 23.859 -11.506 32 ASN -13.531 22.745 -14.180 33 GLN -11.691 26.081 -14.095 34 VAL -11.257 25.888 -10.377 35 ILE -9.813 22.327 -10.576 36 GLY -7.209 23.516 -13.136 37 LEU -6.101 26.265 -10.765 38 LEU -5.686 23.819 -7.906 39 ASP -3.822 21.559 -10.242 40 SER -1.283 24.374 -10.992 41 GLY -0.844 25.636 -7.451 42 ALA -2.384 29.065 -8.282 43 LEU -5.051 28.236 -5.643 44 ARG -4.849 25.937 -2.584 45 VAL -7.510 24.649 -0.201 46 ALA -5.867 25.849 2.917 47 GLU -3.241 28.398 3.498 48 LYS -1.430 29.952 6.356 49 ILE -2.248 33.555 7.086 50 ASP -0.976 35.428 10.146 51 GLY 0.242 32.280 11.864 52 GLN -3.044 30.559 11.338 53 TRP -4.102 27.979 8.763 54 VAL -7.298 29.004 7.107 55 THR -9.540 26.778 5.070 56 HIS -11.264 28.033 1.922 57 GLN -14.462 26.051 2.264 58 TRP -15.536 26.938 -1.196 59 LEU -12.511 25.340 -2.833 60 LYS -13.463 22.154 -0.886 61 LYS -16.960 22.584 -2.277 62 ALA -15.621 22.745 -5.805 63 VAL -13.714 19.467 -5.195 64 LEU -16.879 17.759 -4.035 65 LEU -18.927 19.071 -6.995 66 SER -16.474 17.742 -9.490 67 PHE -17.863 14.289 -8.555 68 ARG -21.408 15.426 -9.403 69 ILE -20.553 17.063 -12.660 70 ASN -18.228 14.643 -14.399 71 ASP -19.090 11.278 -15.794 72 ASN -16.982 8.117 -15.604 73 LYS -14.800 7.078 -18.479 74 VAL -12.982 3.831 -19.235 75 MET -9.261 4.214 -18.657 76 ASP -7.028 1.717 -20.262 77 GLY -4.512 0.147 -17.969 78 ALA -2.386 -2.381 -19.777 79 GLU -3.443 -5.771 -18.409 80 THR -6.594 -4.278 -16.969 81 ARG -9.071 -1.402 -17.170 82 TYR -10.439 1.216 -14.829 83 TYR -13.639 3.257 -14.807 84 ASP -13.486 6.599 -13.008 85 LYS -14.236 10.270 -13.386 86 VAL -10.994 12.081 -12.344 87 PRO -8.253 12.238 -14.940 88 MET -4.675 11.307 -14.254 89 LYS -2.465 14.337 -13.744 90 PHE 0.481 13.135 -15.787 91 ALA -1.316 11.548 -18.649 92 ASP -0.324 14.344 -20.987 93 TYR 3.204 15.242 -19.706 94 ASP 6.197 14.981 -22.012 95 GLU 9.865 14.976 -21.061 96 ALA 10.106 18.730 -21.533 97 ARG 7.303 19.299 -19.108 98 PHE 8.595 16.854 -16.489 99 GLN 11.984 18.437 -16.996 100 LYS 10.572 21.935 -16.299 101 GLU 8.399 21.000 -13.338 102 GLY 11.341 19.329 -11.676 103 PHE 10.079 16.407 -9.565 104 ARG 10.650 12.645 -9.771 105 VAL 7.752 10.187 -10.304 106 VAL 8.568 6.535 -9.554 107 PRO 6.332 3.906 -11.182 108 PRO 3.750 3.170 -10.311 109 ALA 3.157 6.388 -8.295 110 THR -0.155 7.951 -9.307 111 VAL -1.526 11.477 -8.888 112 ARG -4.970 12.773 -9.685 113 GLN -5.495 15.931 -11.678 114 GLY -6.293 18.800 -9.223 115 ALA -3.388 18.085 -6.918 116 PHE -0.338 20.326 -6.862 117 ILE 3.141 18.741 -6.862 118 ALA 6.085 21.129 -6.323 119 ARG 9.620 21.236 -7.681 120 ASN 12.222 18.988 -6.151 121 THR 9.859 16.418 -4.691 122 VAL 10.127 12.671 -5.129 123 LEU 7.038 10.475 -5.268 124 MET 7.909 6.864 -4.605 125 PRO 4.935 4.492 -5.542 126 SER 2.154 6.200 -3.677 127 TYR -1.103 8.072 -4.121 128 VAL -1.835 11.787 -4.138 129 ASN -5.548 12.615 -4.261 130 ILE -7.393 15.604 -5.774 131 GLY -6.952 18.984 -4.067 132 ALA -3.798 18.030 -2.229 133 TYR -0.727 20.257 -2.189 134 VAL 2.780 18.769 -1.835 135 ASP 5.476 21.388 -1.276 136 GLU 9.191 21.570 -2.319 137 GLY 11.733 18.954 -1.296 138 THR 9.248 16.481 0.108 139 MET 9.431 12.726 -0.404 140 VAL 6.296 10.556 -0.342 141 ASP 7.709 7.107 0.364 142 THR 6.301 3.725 -0.705 143 TRP 2.574 3.108 -0.362 144 ALA 2.089 6.385 1.466 145 THR -1.087 8.325 0.757 146 VAL -1.770 12.076 0.594 147 GLY -5.515 12.346 1.110 148 SER -7.843 14.755 -0.687 149 CYS -7.083 18.431 0.041 150 ALA -4.288 17.602 2.467 151 GLN -1.460 20.226 2.759 152 ILE 2.144 18.961 3.028 153 GLY 4.974 21.397 3.798 154 LYS 8.482 21.724 2.307 155 ASN 11.182 19.142 3.040 156 VAL 8.854 16.710 4.688 157 HIS 9.486 12.981 4.742 158 LEU 6.334 10.843 4.670 159 SER 7.561 7.328 5.425 160 GLY 6.408 4.032 3.911 161 GLY 2.730 3.210 4.347 162 VAL 1.932 6.523 6.021 163 GLY -1.547 7.952 5.594 164 ILE -2.488 11.652 5.721 165 GLY -6.298 11.985 6.045 166 GLY -8.547 13.337 3.257 167 VAL -11.815 15.272 3.534 168 LEU -14.189 13.326 1.196 169 GLU -15.202 10.193 3.137 170 PRO -15.789 10.350 5.897 171 LEU -16.561 14.013 5.198 172 GLN -14.364 16.487 7.123 173 ALA -14.601 20.135 8.060 174 ASN -10.887 20.817 7.576 175 PRO -7.972 19.268 5.706 176 THR -5.124 17.569 7.475 177 ILE -1.908 19.646 7.587 178 ILE 1.739 18.765 7.919 179 GLU 3.982 21.800 8.264 180 ASP 7.539 22.221 6.933 181 ASN 10.397 19.985 7.956 182 CYS 8.412 17.250 9.629 183 PHE 9.281 13.559 9.610 184 ILE 6.332 11.116 9.765 185 GLY 7.448 7.561 10.740 186 ALA 6.350 4.421 8.922 187 ARG 2.759 3.205 9.100 188 SER 1.518 6.215 11.018 189 GLU -1.712 7.986 10.201 190 VAL -2.700 11.625 10.684 191 VAL -6.348 12.491 10.118 192 GLU -9.378 14.660 10.914 193 GLY -7.796 18.074 10.527 194 VAL -4.952 17.500 12.991 195 ILE -2.062 19.916 12.450 196 VAL 1.516 18.640 12.889 197 GLU 3.610 21.755 13.539 198 GLU 6.932 22.376 11.882 199 GLY 10.026 20.400 12.659 200 SER 8.151 17.680 14.494 201 VAL 9.156 13.999 14.378 202 ILE 6.409 11.420 14.518 203 SER 7.666 7.908 15.225 204 MET 6.427 4.691 13.623 205 GLY 2.911 3.411 14.205 206 VAL 1.503 6.586 15.699 207 TYR -2.196 7.273 15.068 208 LEU -3.463 10.814 15.458 209 GLY -7.121 11.866 15.113 210 GLN -9.173 14.496 16.963 211 SER -9.917 12.090 19.765 212 THR -6.235 11.209 20.349 213 ARG -4.646 12.344 23.583 214 ILE -1.191 13.778 22.860 215 TYR 0.410 13.634 26.285 216 ASP 3.384 15.751 27.249 217 ARG 5.100 13.724 29.951 218 GLU 7.177 16.737 30.971 219 THR 4.366 19.230 31.560 220 GLY 1.467 16.837 32.055 221 GLU -0.233 18.898 29.380 222 ILE -2.621 16.919 27.105 223 HIS -3.145 18.169 23.588 224 TYR -5.834 17.520 21.093 225 GLY -5.689 18.387 17.417 226 ARG -2.105 19.358 17.039 227 VAL 1.482 18.533 17.570 228 PRO 3.454 21.515 18.923 229 ALA 6.421 22.518 16.769 230 GLY 9.637 20.542 17.330 231 SER 8.161 17.516 19.239 232 VAL 9.199 13.895 19.070 233 VAL 6.076 11.797 19.430 234 VAL 5.812 8.062 20.022 235 SER 3.078 5.532 20.834 236 GLY 2.072 4.814 24.396 237 ASN -0.905 4.260 26.644 238 LEU -2.578 5.938 29.625 239 PRO -3.995 3.783 32.490 240 SER -7.695 3.705 33.305 241 LYS -8.768 4.981 36.714 242 ASP -8.837 1.423 38.218 243 GLY -5.532 0.424 36.525 244 SER -7.623 -2.406 35.097 245 TYR -6.521 -1.599 31.506 246 SER -4.908 1.136 29.485 247 LEU -5.780 2.927 26.243 248 TYR -3.728 4.100 23.352 249 CYS -2.240 7.599 23.264 250 ALA 0.579 9.562 21.670 251 VAL 3.391 10.739 23.998 252 ILE 5.653 13.759 23.412 253 VAL 8.856 12.244 24.841 254 LYS 11.229 15.125 24.071 255 LYS 12.144 17.987 21.766 256 VAL 14.021 17.303 18.578 257 ASP 17.790 17.250 19.186 258 ALA 20.953 16.183 17.341 259 LYS 20.493 12.551 18.157 260 THR 17.000 12.731 16.567 261 ARG 18.143 14.650 13.478 262 GLY 20.712 11.883 12.978 263 LYS 17.964 9.433 12.169 264 VAL 15.526 11.419 10.139 265 GLY 17.484 13.527 7.730 266 ILE 16.555 14.099 4.087 267 ASN 19.039 12.791 1.502 268 GLU 19.820 15.687 -0.919 269 LEU 21.610 13.368 -3.230 270 LEU 18.224 11.988 -4.224 271 ARG 16.705 15.408 -4.999 272 THR 16.660 17.257 -8.348 273 ILE 20.064 17.710 -9.943 274 ASP 20.177 21.352 -11.039 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 H H H H H H H H H H 10 H H H 3/T T T T C T T 20 T T C H H H H H H H 30 H H H H H H H H H H 40 H S S S S/S S S S/T T T 50 T/S S S S S S/H H H H H 60 H H H H H H/T T T T/S S 70 S S S S/S S S S/T T T T/S 80 S S S S S/S S S S S C 90 S S S S/H H H H H H H 100 H H/S S S S S S/P S S S 110 S S S S/S S S S S S S/S 120 S S S S S/S S S S S S 130 S/S S S S S S S/S S S S 140 S S S S S S S S S S 150 S S S S S/S S S S S S 160 S S S S S S S T T/P T 170 T C S S S S S S S S 180 S/S S S S S S S S S S 190 S S S S S S S S S S 200 S S S S S/S S S S S S 210 S S S S S S/T T T T S 220 S S S S S/S S S S S/S S 230 S S/S 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 S S C C H H H H 260 H H H H H C T T T T 270 S S 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 H H H 10 H H H h G G G g t T 20 T T t h H H H H H H 30 H H H H H H H H H h 40 T t S e E E E E T 50 T E E E E h H H H H 60 H H H H H H H H H h 70 E E E E e S S e 80 E E E E S S B T T 90 T T t h H H H H H H 100 H h E E e T T t E 110 E e T T t E E e T T 120 e E E e e E E E e T 130 T e E E e T T e E E 140 e T T E E E e T T e 150 E E e T T e E E e T 160 T e E E e t T T T 170 T t S S e E E e T 180 T e E E e T T e E E 190 e T T e E E e T T e 200 E E e T T e E E t T 210 T t e E E E e T T t 220 e E E S e E E t T e 230 E E E E E E E E E e 240 T T t S e E E E E E 250 E E E E E e h H H H 260 H H H H h g G G G 270 g Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 MET 68.2 42.8 64.3 2 GLN 87.7 59.0 84.6 3 GLN 0.0 0.0 85.9 4 LEU 122.1 82.6 40.7 5 GLN 89.5 60.3 61.0 6 ASN 25.4 21.0 75.3 7 VAL 85.2 71.7 58.8 8 ILE 143.5 100.0 33.6 9 GLU 80.6 58.1 61.1 10 SER 14.8 17.7 82.8 11 ALA 70.4 97.0 53.1 12 PHE 141.3 84.7 48.5 13 GLU 80.7 58.2 82.4 14 ARG 93.2 44.6 74.2 15 ARG 85.4 40.9 61.8 16 ALA 8.1 11.1 80.3 17 ASP 13.6 12.3 79.2 18 ILE 143.5 100.0 48.6 19 THR 59.0 55.2 70.3 20 PRO 91.9 73.8 68.8 21 ALA 1.2 1.6 87.3 22 ASN 51.7 42.8 77.5 23 VAL 118.8 100.0 57.3 24 ASP 46.4 42.0 77.5 25 THR 14.6 13.7 77.8 26 VAL 29.3 24.6 77.4 27 THR 98.7 92.3 42.2 28 ARG 138.4 66.2 65.2 29 GLU 27.4 19.8 78.1 30 ALA 67.1 92.4 47.2 31 VAL 118.8 100.0 36.4 32 ASN 58.5 48.4 67.5 33 GLN 42.8 28.8 70.9 34 VAL 118.8 100.0 29.8 35 ILE 129.0 89.9 47.9 36 GLY 4.5 13.0 74.4 37 LEU 103.0 69.7 53.1 38 LEU 144.9 98.0 45.2 39 ASP 91.0 82.3 60.8 40 SER 31.1 37.2 73.1 41 GLY 32.9 94.6 61.4 42 ALA 26.6 36.6 72.8 43 LEU 109.7 74.2 43.3 44 ARG 155.1 74.2 55.6 45 VAL 118.8 100.0 37.4 46 ALA 72.4 99.7 43.3 47 GLU 81.8 59.0 55.8 48 LYS 102.1 58.9 65.1 49 ILE 62.5 43.5 74.0 50 ASP 0.0 0.0 83.3 51 GLY 6.7 19.3 74.1 52 GLN 95.6 64.4 76.0 53 TRP 173.9 84.8 43.9 54 VAL 65.4 55.0 68.9 55 THR 96.9 90.7 56.0 56 HIS 102.2 68.0 63.8 57 GLN 81.7 55.0 71.1 58 TRP 178.8 87.2 43.4 59 LEU 147.3 99.7 33.3 60 LYS 156.1 90.0 46.8 61 LYS 117.1 67.5 46.2 62 ALA 72.6 100.0 37.5 63 VAL 118.7 99.9 33.7 64 LEU 109.5 74.1 44.3 65 LEU 147.2 99.6 32.9 66 SER 78.2 93.5 46.4 67 PHE 119.3 71.5 57.7 68 ARG 114.5 54.8 67.8 69 ILE 143.5 100.0 42.9 70 ASN 86.1 71.2 65.2 71 ASP 29.8 26.9 72.9 72 ASN 84.2 69.7 58.2 73 LYS 33.9 19.6 79.6 74 VAL 54.5 45.8 67.9 75 MET 128.5 80.6 61.2 76 ASP 41.7 37.7 76.4 77 GLY 23.1 66.4 64.6 78 ALA 4.7 6.5 89.0 79 GLU 14.8 10.7 78.7 80 THR 47.9 44.8 71.4 81 ARG 65.2 31.2 79.0 82 TYR 65.9 36.4 68.5 83 TYR 65.4 36.1 74.5 84 ASP 69.8 63.1 68.7 85 LYS 126.7 73.1 66.2 86 VAL 110.0 92.6 48.1 87 PRO 57.5 46.2 70.9 88 MET 97.0 60.8 60.0 89 LYS 167.1 96.4 57.9 90 PHE 144.7 86.8 35.0 91 ALA 15.4 21.2 79.1 92 ASP 39.7 36.0 84.8 93 TYR 177.1 97.8 51.9 94 ASP 27.1 24.5 74.7 95 GLU 18.2 13.2 81.8 96 ALA 15.6 21.5 78.2 97 ARG 112.5 53.9 71.3 98 PHE 105.1 63.0 53.5 99 GLN 35.8 24.1 79.5 100 LYS 40.7 23.5 79.6 101 GLU 93.8 67.7 69.8 102 GLY 24.9 71.4 65.0 103 PHE 166.7 99.9 50.8 104 ARG 100.0 47.9 61.7 105 VAL 100.7 84.7 43.1 106 VAL 86.9 73.1 51.0 107 PRO 26.3 21.1 73.4 108 PRO 39.3 31.6 66.2 109 ALA 72.3 99.6 62.1 110 THR 63.5 59.4 58.8 111 VAL 118.4 99.7 34.3 112 ARG 175.8 84.1 56.2 113 GLN 81.7 55.0 58.9 114 GLY 34.8 100.0 48.2 115 ALA 72.6 100.0 58.7 116 PHE 126.7 75.9 62.8 117 ILE 143.5 100.0 30.2 118 ALA 67.1 92.4 51.2 119 ARG 87.9 42.1 75.1 120 ASN 91.7 75.9 63.7 121 THR 106.9 100.0 49.9 122 VAL 117.0 98.5 51.4 123 LEU 147.4 99.8 36.1 124 MET 104.3 65.4 58.2 125 PRO 110.4 88.7 40.5 126 SER 80.0 95.8 50.1 127 TYR 111.7 61.7 65.1 128 VAL 118.4 99.6 34.4 129 ASN 95.2 78.7 53.2 130 ILE 141.3 98.5 35.8 131 GLY 34.8 99.9 47.2 132 ALA 72.6 100.0 58.2 133 TYR 153.6 84.9 61.6 134 VAL 118.8 100.0 32.6 135 ASP 95.9 86.8 53.8 136 GLU 77.2 55.7 69.1 137 GLY 31.7 91.0 70.1 138 THR 106.9 100.0 50.6 139 MET 141.7 88.9 53.6 140 VAL 118.8 100.0 37.4 141 ASP 76.9 69.6 56.8 142 THR 68.7 64.3 52.5 143 TRP 56.0 27.3 71.9 144 ALA 72.5 99.9 59.0 145 THR 55.3 51.7 67.2 146 VAL 118.8 100.0 30.6 147 GLY 27.9 80.2 61.0 148 SER 81.8 97.9 47.9 149 CYS 99.2 100.0 34.5 150 ALA 72.6 100.0 53.8 151 GLN 147.5 99.3 49.1 152 ILE 143.5 100.0 34.8 153 GLY 25.7 73.8 64.8 154 LYS 89.3 51.5 78.2 155 ASN 54.6 45.2 69.2 156 VAL 118.8 100.0 50.3 157 HIS 116.7 77.7 54.1 158 LEU 147.7 100.0 25.8 159 SER 74.8 89.4 51.8 160 GLY 25.4 73.0 66.7 161 GLY 30.1 86.6 71.5 162 VAL 118.7 100.0 47.7 163 GLY 27.2 78.3 67.0 164 ILE 143.5 100.0 35.7 165 GLY 25.7 73.9 69.1 166 GLY 26.6 76.4 73.2 167 VAL 118.8 100.0 44.9 168 LEU 118.7 80.3 47.0 169 GLU 6.4 4.6 82.6 170 PRO 21.3 17.1 84.4 171 LEU 59.2 40.0 70.9 172 GLN 114.1 76.8 62.7 173 ALA 13.1 18.1 86.2 174 ASN 55.1 45.6 65.5 175 PRO 124.3 99.8 43.6 176 THR 106.5 99.6 53.1 177 ILE 136.8 95.3 36.0 178 ILE 143.5 100.0 28.2 179 GLU 124.2 89.6 48.9 180 ASP 63.1 57.1 61.5 181 ASN 55.3 45.7 74.8 182 CYS 99.2 100.0 52.5 183 PHE 127.6 76.5 56.1 184 ILE 143.5 100.0 28.2 185 GLY 33.4 95.8 54.0 186 ALA 47.2 65.0 57.0 187 ARG 70.1 33.5 74.6 188 SER 83.6 100.0 51.3 189 GLU 72.9 52.6 58.6 190 VAL 118.5 99.8 32.1 191 VAL 82.0 69.0 59.8 192 GLU 79.0 57.0 66.0 193 GLY 32.7 94.0 71.6 194 VAL 118.5 99.7 51.6 195 ILE 96.9 67.5 56.3 196 VAL 118.8 100.0 30.1 197 GLU 98.4 71.0 60.4 198 GLU 57.7 41.6 71.6 199 GLY 14.8 42.6 66.9 200 SER 83.6 100.0 50.7 201 VAL 105.7 89.0 38.0 202 ILE 143.4 99.9 33.5 203 SER 50.6 60.5 52.8 204 MET 32.4 20.3 81.7 205 GLY 18.3 52.5 66.7 206 VAL 118.7 99.9 46.6 207 TYR 80.6 44.5 66.6 208 LEU 147.5 99.8 28.0 209 GLY 26.5 76.1 62.5 210 GLN 70.0 47.1 74.5 211 SER 0.0 0.0 82.5 212 THR 87.6 81.9 60.2 213 ARG 144.4 69.1 53.4 214 ILE 142.5 99.3 40.8 215 TYR 127.2 70.3 49.5 216 ASP 88.4 80.0 57.1 217 ARG 81.7 39.1 70.0 218 GLU 5.9 4.3 83.8 219 THR 43.0 40.2 76.6 220 GLY 14.4 41.5 78.4 221 GLU 45.6 32.9 79.8 222 ILE 97.4 67.9 52.2 223 HIS 133.5 88.9 57.0 224 TYR 81.3 44.9 74.2 225 GLY 28.6 82.1 62.5 226 ARG 112.8 54.0 67.9 227 VAL 118.8 100.0 31.0 228 PRO 95.7 76.9 63.3 229 ALA 36.1 49.7 76.1 230 GLY 28.5 81.8 60.8 231 SER 77.9 93.2 42.8 232 VAL 104.6 88.0 42.4 233 VAL 118.8 100.0 31.6 234 VAL 73.4 61.8 55.5 235 SER 53.8 64.4 68.6 236 GLY 12.9 37.1 69.2 237 ASN 67.7 56.0 67.6 238 LEU 113.7 76.9 44.9 239 PRO 44.0 35.3 68.1 240 SER 65.6 78.5 70.4 241 LYS 91.3 52.6 90.0 242 ASP 26.7 24.1 76.7 243 GLY 9.6 27.7 80.6 244 SER 26.8 32.0 76.4 245 TYR 61.3 33.9 73.2 246 SER 49.2 58.9 63.7 247 LEU 50.9 34.4 82.1 248 TYR 115.3 63.7 65.0 249 CYS 99.2 100.0 46.0 250 ALA 72.6 100.0 38.8 251 VAL 97.4 82.0 49.8 252 ILE 129.9 90.5 51.6 253 VAL 93.1 78.4 49.2 254 LYS 100.1 57.7 68.0 255 LYS 49.7 28.7 76.4 256 VAL 110.9 93.4 52.2 257 ASP 57.3 51.8 76.3 258 ALA 3.2 4.4 84.0 259 LYS 36.2 20.9 85.5 260 THR 96.7 90.5 41.3 261 ARG 78.1 37.4 73.0 262 GLY 0.5 1.3 81.5 263 LYS 47.6 27.4 77.5 264 VAL 95.4 80.3 44.4 265 GLY 3.5 10.1 84.9 266 ILE 110.3 76.9 73.9 267 ASN 51.7 42.7 63.5 268 GLU 11.3 8.2 80.5 269 LEU 6.9 4.7 88.1 270 LEU 74.1 50.2 75.1 271 ARG 197.2 94.4 55.6 272 THR 61.6 57.6 70.8 273 ILE 3.8 2.7 89.4 274 ASP 36.6 33.1 78.0