Protein Data Bank File : 1a4ia Title : OXIDOREDUCTASE 30-JAN-98 1A4I Number of Amino Acid Residues : 285 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 ALA PRO ALA GLU ILE LEU ASN GLY LYS GLU 10 ILE SER ALA GLN ILE ARG ALA ARG LEU LYS 20 ASN GLN VAL THR GLN LEU LYS GLU GLN VAL 30 PRO GLY PHE THR PRO ARG LEU ALA ILE LEU 40 GLN VAL GLY ASN ARG ASP ASP SER ASN LEU 50 TYR ILE ASN VAL LYS LEU LYS ALA ALA GLU 60 GLU ILE GLY ILE LYS ALA THR HIS ILE LYS 70 LEU PRO ARG THR THR THR GLU SER GLU VAL 80 MET LYS TYR ILE THR SER LEU ASN GLU ASP 90 SER THR VAL HIS GLY PHE LEU VAL GLN LEU 100 PRO LEU ASP SER GLU ASN SER ILE ASN THR 110 GLU GLU VAL ILE ASN ALA ILE ALA PRO GLU 120 LYS ASP VAL ASP GLY LEU THR SER ILE ASN 130 ALA GLY ARG LEU ALA ARG GLY ASP LEU ASN 140 ASP CYS PHE ILE PRO CYS THR PRO LYS GLY 150 CYS LEU GLU LEU ILE LYS GLU THR GLY VAL 160 PRO ILE ALA GLY ARG HIS ALA VAL VAL VAL 170 GLY ARG SER LYS ILE VAL GLY ALA PRO MET 180 HIS ASP LEU LEU LEU TRP ASN ASN ALA THR 190 VAL THR THR CYS HIS SER LYS THR ALA HIS 200 LEU ASP GLU GLU VAL ASN LYS GLY ASP ILE 210 LEU VAL VAL ALA THR GLY GLN PRO GLU MET 220 VAL LYS GLY GLU TRP ILE LYS PRO GLY ALA 230 ILE VAL ILE ASP CYS GLY ILE ASN TYR LYS 240 VAL VAL GLY ASP VAL ALA TYR ASP GLU ALA 250 LYS GLU ARG ALA SER PHE ILE THR PRO VAL 260 PRO GLY GLY VAL GLY PRO MET THR VAL ALA 270 MET LEU MET GLN SER THR VAL GLU SER ALA 280 LYS ARG PHE LEU GLU Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 ALA 0.0 -69.0 -176.8 2 PRO -86.5 164.6 176.9 37.6 -41.0 3 ALA -54.7 152.2 166.8 4 GLU -63.3 133.8 178.7 178.6 72.4 24.0 5 ILE -86.4 126.3 173.6 -69.3 161.2 6 LEU -84.3 98.8 -175.3 -70.1 165.9 7 ASN -83.2 93.9 -179.0 -169.1 -23.3 8 GLY -62.4 -32.1 178.3 9 LYS -63.0 -48.5 -178.6 122.2 161.1 -101.3 -161.6 10 GLU -69.6 -43.0 -179.3 -65.1 -178.4 -15.1 11 ILE -62.9 -44.8 -179.9 -66.8 158.1 12 SER -66.2 -35.2 176.3 67.0 13 ALA -62.5 -36.4 175.9 14 GLN -64.0 -42.0 177.5 -72.6 143.8 21.4 15 ILE -64.5 -44.6 178.0 -68.6 161.7 16 ARG -62.5 -38.6 177.7 -62.0 -166.7 -56.8 -78.9 17 ALA -62.7 -42.6 177.2 18 ARG -60.7 -46.0 177.6 172.7 -164.7 91.2 -132.6 19 LEU -61.5 -39.2 177.5 -68.9 174.6 20 LYS -59.3 -41.0 178.2 179.0 178.1 -177.3 -172.6 21 ASN -71.3 -35.8 176.8 -73.9 155.0 22 GLN -65.9 -39.3 179.4 -73.2 167.1 15.6 23 VAL -70.9 -34.2 176.5 165.2 24 THR -62.6 -42.8 -178.6 -67.2 25 GLN -65.2 -40.4 177.4 -67.1 -172.6 58.3 26 LEU -62.5 -37.7 176.9 -164.2 61.9 27 LYS -70.2 -29.0 177.6 -73.1 -175.6 -178.1 170.4 28 GLU -75.8 -27.3 -178.2 -81.9 173.1 -2.9 29 GLN -80.2 -38.3 179.3 -77.2 152.2 28.2 30 VAL -129.2 71.6 -178.0 -168.6 31 PRO -51.4 133.9 -176.9 -19.1 28.8 32 GLY 97.2 -25.4 179.1 33 PHE -72.1 138.6 -180.0 174.6 80.6 34 THR -138.4 117.4 174.5 41.0 35 PRO -58.6 137.7 -176.5 -20.6 33.3 36 ARG -137.4 135.5 177.7 -173.4 165.4 175.1 -160.6 37 LEU -118.2 140.4 172.7 171.5 63.7 38 ALA -120.8 146.1 176.1 39 ILE -124.4 124.0 178.9 -63.6 171.8 40 LEU -104.6 119.6 178.1 -178.7 65.0 41 GLN -115.5 143.8 172.3 172.6 -174.9 13.2 42 VAL -112.6 119.6 178.1 174.5 43 GLY 95.2 -159.7 -170.1 44 ASN -152.4 48.2 179.0 -167.8 33.9 45 ARG -67.3 139.3 176.0 -69.6 176.9 58.3 104.8 46 ASP -61.2 -38.5 -179.3 -75.1 -11.5 47 ASP -66.8 -44.1 179.5 44.8 6.0 48 SER -63.3 -39.9 179.1 -63.1 49 ASN -59.9 -40.1 177.7 -67.2 -21.5 50 LEU -66.6 -43.8 179.8 -68.1 171.6 51 TYR -65.6 -37.1 178.0 -63.5 -32.7 52 ILE -66.2 -39.9 179.9 -73.1 170.9 53 ASN -63.3 -35.9 175.3 -70.0 -21.0 54 VAL -63.3 -44.3 177.8 173.2 55 LYS -62.0 -41.8 -179.9 -65.2 177.2 -151.9 -171.3 56 LEU -68.7 -33.7 179.2 -65.7 176.4 57 LYS -66.7 -44.9 178.7 -178.4 170.1 -168.4 -162.4 58 ALA -63.8 -42.2 -177.7 59 ALA -60.5 -48.2 -176.5 60 GLU -60.6 -39.6 -178.9 -176.5 161.7 -9.9 61 GLU -62.9 -37.1 -175.6 -86.8 160.4 11.6 62 ILE -82.6 -18.9 -179.3 -74.6 161.7 63 GLY 104.1 12.7 175.3 64 ILE -90.9 136.2 174.5 -69.6 163.4 65 LYS -79.6 130.5 -174.0 -174.9 167.6 138.0 148.8 66 ALA -129.5 130.8 -179.2 67 THR -111.4 134.3 172.9 -56.3 68 HIS -112.1 122.6 176.2 176.7 -159.0 69 ILE -108.8 128.5 -178.7 -61.7 165.4 70 LYS -120.0 109.7 -178.7 -178.1 -165.6 -58.7 -102.3 71 LEU -92.6 152.2 -177.0 -60.9 -175.4 72 PRO -71.9 168.1 177.8 28.7 -41.2 73 ARG -68.5 -11.5 175.7 -72.1 -156.5 84.0 -124.5 74 THR -86.3 -0.8 -176.5 57.3 75 THR -60.2 141.7 179.4 -58.6 76 THR -104.3 163.5 175.1 65.0 77 GLU -58.5 -40.4 -180.0 179.5 165.6 -30.9 78 SER -61.8 -40.5 179.3 163.4 79 GLU -65.9 -42.6 175.6 -70.4 -170.3 -44.5 80 VAL -59.8 -40.1 -178.8 170.0 81 MET -62.2 -33.7 177.9 -66.4 -63.0 -118.4 82 LYS -62.8 -44.3 179.8 -58.8 -73.1 177.0 173.1 83 TYR -68.0 -36.7 177.8 -78.0 85.5 84 ILE -63.2 -42.3 175.8 -65.6 170.1 85 THR -60.6 -42.5 -178.8 -65.2 86 SER -61.8 -41.2 -179.4 -62.4 87 LEU -70.0 -35.1 178.0 -73.4 166.0 88 ASN -62.5 -38.1 -176.2 -77.3 -21.4 89 GLU -89.8 -9.2 178.5 -75.2 168.6 11.7 90 ASP -80.5 107.9 -178.7 -172.6 -17.7 91 SER -59.6 -26.9 177.2 17.1 92 THR -78.3 -14.7 -179.8 69.5 93 VAL -97.8 117.4 -175.4 170.4 94 HIS -86.9 -35.5 -179.8 -50.7 -61.3 95 GLY -145.1 150.3 173.7 96 PHE -151.2 165.4 178.7 69.6 -82.4 97 LEU -147.0 158.8 173.6 65.1 94.1 98 VAL -102.0 122.2 177.8 -178.1 99 GLN -73.9 132.6 -178.4 -176.3 71.7 23.2 100 LEU -112.7 149.6 0.0 -62.4 177.7 101 PRO -82.9 156.9 177.0 29.6 -34.1 102 LEU -70.2 140.0 -179.6 -53.4 176.5 103 ASP -116.9 85.8 178.9 165.1 35.1 104 SER -129.2 154.7 172.5 168.1 105 GLU -73.4 -18.9 178.6 73.4 178.9 37.3 106 ASN -99.1 157.0 174.8 -59.9 -47.5 107 SER -74.5 125.0 -179.3 -64.1 108 ILE -129.1 127.4 178.1 -62.4 175.9 109 ASN -78.2 106.5 -179.1 -173.0 -38.1 110 THR -60.9 -39.6 -179.6 -62.4 111 GLU -62.1 -41.6 -178.4 -173.5 172.2 -78.9 112 GLU -63.6 -41.8 179.4 -88.2 168.5 21.4 113 VAL -63.9 -47.8 -179.8 161.0 114 ILE -60.0 -40.0 -177.1 -70.3 -51.3 115 ASN -76.9 -3.0 171.5 -79.8 -49.5 116 ALA -83.5 -13.1 -179.7 117 ILE -72.9 134.3 178.6 -62.1 172.2 118 ALA -61.6 133.5 -174.9 119 PRO -62.4 -28.4 176.8 10.8 -24.4 120 GLU -68.7 -23.3 177.5 -54.9 72.7 33.0 121 LYS -105.2 3.8 -172.7 -57.1 -162.4 -178.5 -173.8 122 ASP -82.2 72.7 -175.7 178.1 27.0 123 VAL -72.0 -14.4 174.0 -70.4 124 ASP -84.7 -6.6 177.0 -98.2 -1.3 125 GLY 65.1 30.2 -177.9 126 LEU -100.8 -8.6 178.2 -59.2 171.3 127 THR -63.0 155.7 178.9 59.1 128 SER -65.2 -31.8 176.8 -71.3 129 ILE -61.3 -48.1 179.1 -61.2 164.3 130 ASN -68.7 -37.6 -179.0 -81.7 -40.3 131 ALA -65.9 -38.9 -179.3 132 GLY -70.3 -28.4 174.4 133 ARG -70.0 -49.9 179.5 -75.8 169.4 -176.4 169.1 134 LEU -59.4 -44.0 -176.2 171.0 53.0 135 ALA -65.4 -22.1 -179.4 136 ARG -107.6 10.0 173.6 -58.0 -60.5 -173.8 -110.5 137 GLY 86.1 11.6 -176.7 138 ASP -93.3 88.3 -173.0 -65.0 -31.7 139 LEU -99.4 1.2 -179.6 -90.4 26.2 140 ASN -74.6 -30.0 -165.6 -94.1 -93.5 141 ASP -102.4 2.0 -167.6 -58.3 12.0 142 CYS -144.1 157.6 171.7 78.3 143 PHE -88.6 134.2 178.8 -72.1 -67.9 144 ILE -102.5 139.3 176.2 -66.9 158.0 145 PRO -49.0 139.5 -170.4 -27.4 42.6 146 CYS -67.1 -32.2 -177.9 -53.7 147 THR -70.5 -50.5 173.2 -72.2 148 PRO -56.5 -42.4 177.7 -12.3 16.1 149 LYS -54.8 -49.2 -178.1 -86.7 -178.9 87.9 67.7 150 GLY -59.8 -42.0 178.9 151 CYS -63.7 -43.4 179.7 -69.5 152 LEU -63.1 -38.5 178.2 -178.3 73.0 153 GLU -65.3 -39.2 175.8 -170.2 79.8 -8.8 154 LEU -60.9 -42.8 -179.3 -70.3 164.5 155 ILE -66.3 -39.6 176.9 -70.2 159.7 156 LYS -65.3 -25.8 177.6 -73.1 168.3 151.1 -171.0 157 GLU -67.2 -13.6 176.9 -85.2 -72.1 -60.9 158 THR -77.8 -21.8 -173.4 63.4 159 GLY 79.2 -3.6 -177.4 160 VAL -85.8 123.8 -178.3 -179.5 161 PRO -59.3 139.1 177.4 -17.6 28.1 162 ILE -79.1 -30.9 -173.6 -62.6 167.7 163 ALA -59.0 131.5 177.8 164 GLY 82.7 -6.5 178.4 165 ARG -76.9 155.0 168.4 -66.9 -76.9 86.1 -168.8 166 HIS -90.5 117.7 179.6 -165.1 118.7 167 ALA -111.1 144.0 175.8 168 VAL -124.0 127.0 175.9 176.1 169 VAL -109.8 122.9 177.0 -176.5 170 VAL -102.3 110.6 -176.2 -172.7 171 GLY 118.3 149.1 -177.6 172 ARG -138.7 30.0 -178.6 53.1 175.1 175.1 -176.2 173 SER -69.3 163.3 176.5 76.1 174 LYS -67.0 -28.3 -178.1 -60.3 -173.5 168.3 -175.1 175 ILE -80.7 -33.4 -174.2 -50.5 -68.4 176 VAL -131.7 -66.5 -169.3 -175.3 177 GLY -64.1 -46.7 -179.6 178 ALA -62.2 -52.2 176.0 179 PRO -65.6 -27.7 178.8 18.2 -34.9 180 MET -65.9 -39.4 175.5 -175.7 76.4 -115.2 181 HIS -57.0 -45.5 -178.4 159.8 -84.1 182 ASP -65.6 -43.7 179.1 -65.1 -22.4 183 LEU -58.8 -44.0 -178.3 -77.1 179.8 184 LEU -68.0 -39.2 179.5 -75.5 165.6 185 LEU -62.6 -45.0 -176.2 -177.0 63.6 186 TRP -77.8 -3.9 167.4 -62.8 109.9 187 ASN -98.4 13.7 167.9 -81.7 -96.8 188 ASN 74.3 21.7 166.4 -67.3 -29.6 189 ALA -73.0 162.3 164.7 190 THR -93.8 122.9 -167.0 -65.2 191 VAL -123.3 137.1 172.6 -166.9 192 THR -109.8 134.5 176.7 -61.6 193 THR -115.3 126.7 -179.9 -66.3 194 CYS -114.9 160.2 -176.1 -59.3 195 HIS -160.4 -169.7 -171.7 49.8 70.6 196 SER -64.6 -16.1 -179.6 69.0 197 LYS -101.2 7.6 176.9 -93.6 72.3 -132.8 -117.9 198 THR -70.5 136.5 173.7 -68.2 199 ALA -95.3 153.3 176.7 200 HIS 51.2 54.7 179.0 -53.8 -60.5 201 LEU -60.1 -38.1 177.9 175.1 68.7 202 ASP -55.8 -40.9 179.6 54.7 -18.1 203 GLU -68.8 -34.4 179.7 -61.7 175.7 8.7 204 GLU -72.3 -41.9 175.5 -61.0 -70.6 -4.5 205 VAL -58.1 -35.8 -178.3 165.7 206 ASN -66.9 -10.8 177.2 -166.3 -117.3 207 LYS -85.4 -12.8 -174.4 -64.1 165.7 154.6 159.2 208 GLY -77.3 111.0 164.6 209 ASP -69.5 -31.8 174.1 -59.1 -53.4 210 ILE -126.3 137.6 -179.4 -66.4 162.7 211 LEU -137.3 119.3 178.2 172.6 73.1 212 VAL -117.5 122.3 -177.0 -177.4 213 VAL -113.1 123.2 -177.9 -173.0 214 ALA -145.9 75.6 -177.0 215 THR -117.5 -25.0 -177.6 59.2 216 GLY 73.4 29.1 175.1 217 GLN -122.6 115.3 -172.1 -50.8 -53.0 -56.0 218 PRO -59.7 121.8 179.7 18.9 -31.9 219 GLU 47.7 34.6 -178.4 -52.7 179.1 -50.2 220 MET -72.7 -32.5 -179.3 139.8 -136.2 139.1 221 VAL -86.4 111.4 -176.5 170.4 222 LYS -76.8 142.5 -178.5 -61.5 -56.0 180.0 -167.0 223 GLY -56.6 -31.9 177.3 224 GLU -58.9 -32.3 -178.0 -98.2 130.9 31.0 225 TRP -78.4 -21.0 -176.3 -53.5 -6.7 226 ILE -62.8 134.1 174.0 -52.3 -54.0 227 LYS -68.9 130.2 178.1 177.8 167.9 -159.0 -155.9 228 PRO -52.9 123.6 178.7 -25.0 38.1 229 GLY 93.7 3.9 -177.6 230 ALA -66.6 158.4 170.9 231 ILE -101.0 122.8 -171.7 -69.6 170.2 232 VAL -120.1 119.4 -178.7 178.3 233 ILE -115.3 116.8 -175.2 -53.6 -54.1 234 ASP -113.0 109.7 -175.4 -171.3 -7.3 235 CYS -91.7 -5.1 -175.8 -58.2 236 GLY -66.7 141.7 174.8 237 ILE -131.4 94.7 -176.4 -66.0 -50.9 238 ASN -123.6 136.3 178.4 -59.2 -69.4 239 TYR -97.4 142.9 -57.3 -54.2 -63.5 240 LYS 17.3 150.9 175.4 -145.5 159.0 147.5 -178.5 241 VAL -98.2 130.0 -176.5 175.1 242 VAL -138.0 159.7 -179.5 -64.1 243 GLY -91.0 -169.2 -178.5 244 ASP -89.0 -3.9 177.1 -64.9 -26.0 245 VAL -113.2 140.9 177.2 174.4 246 ALA -76.4 97.0 -171.8 247 TYR -61.4 -47.0 -177.8 -176.5 89.4 248 ASP -59.2 -36.4 177.3 -95.0 70.3 249 GLU -77.2 -42.9 -177.0 -46.7 166.6 -7.4 250 ALA -66.1 -31.5 178.3 251 LYS -64.2 -20.8 177.3 66.0 -161.4 -158.0 173.2 252 GLU -84.5 -9.5 180.0 -48.4 -82.0 32.5 253 ARG -112.3 -37.9 -178.6 -63.9 -168.6 129.9 -136.5 254 ALA -71.4 163.0 168.4 255 SER -87.4 -38.0 -176.3 50.5 256 PHE -138.7 144.7 -178.3 -66.0 86.2 257 ILE -153.4 146.7 174.1 -169.4 158.8 258 THR -92.1 132.1 174.7 55.9 259 PRO -78.9 168.0 173.0 37.7 -40.7 260 VAL -137.0 121.3 0.8 173.8 261 PRO -78.8 -172.7 173.4 25.2 -23.6 262 GLY 87.3 13.5 -177.3 263 GLY -112.3 -99.6 179.8 264 VAL -64.7 -36.4 -173.6 171.1 265 GLY -51.4 -55.4 179.8 266 PRO -66.0 -30.9 178.2 1.0 -0.4 267 MET -65.8 -39.1 179.2 -65.5 -66.9 -62.4 268 THR -59.7 -42.9 179.7 -64.5 269 VAL -68.3 -38.9 177.0 176.4 270 ALA -60.3 -39.4 -179.7 271 MET -70.1 -32.3 172.4 -63.2 -67.6 102.5 272 LEU -64.7 -41.0 178.3 166.1 64.8 273 MET -65.5 -36.2 178.2 -56.0 -59.7 130.7 274 GLN -62.2 -44.0 179.5 -177.4 175.0 -75.8 275 SER -64.4 -35.4 179.8 -69.4 276 THR -68.4 -40.1 176.6 -62.1 277 VAL -65.2 -39.3 176.4 174.7 278 GLU -61.9 -40.5 -179.0 -165.7 179.3 -46.1 279 SER -63.4 -35.5 179.8 75.1 280 ALA -70.5 -45.3 179.8 281 LYS -64.0 -39.4 178.5 -153.9 155.8 166.3 174.5 282 ARG -62.4 -41.6 178.5 -53.9 -126.3 -136.2 161.3 283 PHE -54.9 -44.5 177.6 178.1 76.5 284 LEU -71.8 -28.7 -179.3 -80.0 -160.9 285 GLU -80.2 -50.3 0.0 -67.0 174.6 -0.6 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 ALA 11.623 65.531 46.667 2 PRO 9.928 64.004 43.639 3 ALA 11.079 61.353 41.275 4 GLU 13.462 62.147 38.438 5 ILE 11.452 62.759 35.251 6 LEU 12.304 60.449 32.320 7 ASN 11.933 63.039 29.552 8 GLY 10.844 61.052 26.499 9 LYS 10.702 64.181 24.309 10 GLU 14.417 64.863 24.961 11 ILE 15.538 61.231 24.849 12 SER 13.650 60.637 21.618 13 ALA 15.097 63.781 19.998 14 GLN 18.558 62.382 20.738 15 ILE 17.640 59.060 19.142 16 ARG 16.164 60.749 16.098 17 ALA 19.283 62.871 15.615 18 ARG 21.516 59.755 15.704 19 LEU 19.197 58.049 13.195 20 LYS 19.286 61.068 10.881 21 ASN 23.075 60.917 10.852 22 GLN 23.062 57.161 10.257 23 VAL 20.677 57.607 7.304 24 THR 22.762 60.457 5.860 25 GLN 25.856 58.221 6.094 26 LEU 24.036 55.308 4.384 27 LYS 23.024 57.721 1.628 28 GLU 26.658 58.801 1.267 29 GLN 27.771 55.166 0.962 30 VAL 25.114 54.170 -1.580 31 PRO 23.971 57.448 -3.215 32 GLY 20.399 57.154 -4.456 33 PHE 19.470 54.473 -1.892 34 THR 16.563 55.620 0.244 35 PRO 15.171 53.825 3.272 36 ARG 11.425 53.644 2.816 37 LEU 8.537 53.048 5.209 38 ALA 4.896 52.518 4.207 39 ILE 1.909 52.973 6.509 40 LEU -1.400 51.294 5.547 41 GLN -4.508 52.751 7.143 42 VAL -8.066 51.474 6.897 43 GLY -10.749 54.120 7.381 44 ASN -10.304 57.678 8.576 45 ARG -10.219 57.942 12.352 46 ASP -9.070 61.363 13.601 47 ASP -6.649 59.880 16.213 48 SER -5.034 57.568 13.678 49 ASN -4.642 60.458 11.248 50 LEU -2.812 62.446 13.900 51 TYR -0.534 59.557 14.927 52 ILE 0.295 58.771 11.301 53 ASN 1.156 62.452 10.742 54 VAL 3.594 62.302 13.691 55 LYS 5.202 59.166 12.192 56 LEU 5.446 60.856 8.778 57 LYS 7.020 63.989 10.312 58 ALA 9.645 61.952 12.170 59 ALA 10.441 59.882 9.069 60 GLU 10.912 63.002 6.907 61 GLU 13.222 64.564 9.495 62 ILE 15.453 61.507 9.624 63 GLY 15.619 61.153 5.859 64 ILE 13.313 58.159 5.486 65 LYS 10.821 58.229 2.591 66 ALA 7.387 57.459 4.028 67 THR 4.270 56.588 2.057 68 HIS 0.750 56.671 3.570 69 ILE -1.939 54.588 1.904 70 LYS -5.443 55.310 3.202 71 LEU -8.157 52.788 2.251 72 PRO -11.842 53.539 2.623 73 ARG -14.194 52.396 5.340 74 THR -15.849 50.023 2.862 75 THR -12.624 48.034 2.591 76 THR -12.751 44.280 3.033 77 GLU -10.185 41.861 4.443 78 SER -9.521 40.603 0.892 79 GLU -8.838 44.146 -0.356 80 VAL -6.500 44.828 2.582 81 MET -4.634 41.559 1.878 82 LYS -4.054 42.717 -1.660 83 TYR -2.314 45.857 -0.453 84 ILE -0.230 43.861 2.041 85 THR 0.895 41.511 -0.693 86 SER 1.765 44.475 -2.892 87 LEU 3.890 45.973 -0.122 88 ASN 5.576 42.658 0.632 89 GLU 6.584 42.376 -3.024 90 ASP 7.612 46.025 -3.513 91 SER 11.431 45.957 -3.353 92 THR 11.662 49.687 -2.640 93 VAL 9.671 49.334 0.603 94 HIS 11.919 48.237 3.478 95 GLY 9.404 48.249 6.321 96 PHE 5.686 48.738 6.614 97 LEU 2.947 48.659 9.167 98 VAL -0.787 48.542 9.426 99 GLN -2.152 51.338 11.631 100 LEU -4.468 49.922 14.294 101 PRO -7.287 49.767 14.914 102 LEU -8.753 49.141 11.473 103 ASP -11.834 51.375 10.906 104 SER -14.092 49.481 8.463 105 GLU -17.800 48.737 8.154 106 ASN -16.829 45.110 7.496 107 SER -15.449 42.524 9.894 108 ILE -11.725 42.169 9.343 109 ASN -9.560 39.674 11.265 110 THR -6.724 41.836 12.471 111 GLU -4.457 38.905 13.301 112 GLU -4.813 37.471 9.789 113 VAL -4.029 40.817 8.128 114 ILE -1.054 41.444 10.420 115 ASN 0.298 37.935 9.864 116 ALA 0.304 38.440 6.116 117 ILE 3.091 41.022 6.581 118 ALA 6.519 39.685 5.631 119 PRO 8.467 39.332 8.895 120 GLU 11.489 41.189 7.409 121 LYS 9.329 44.238 6.815 122 ASP 7.306 43.953 10.078 123 VAL 8.752 47.025 11.747 124 ASP 5.872 47.219 14.266 125 GLY 6.888 43.705 15.447 126 LEU 3.342 42.333 15.564 127 THR 3.497 39.275 13.407 128 SER 3.299 35.964 15.258 129 ILE 6.743 35.026 13.916 130 ASN 8.284 38.106 15.550 131 ALA 6.186 37.714 18.676 132 GLY 7.198 34.077 19.005 133 ARG 10.922 34.866 18.721 134 LEU 10.598 37.594 21.356 135 ALA 8.434 35.395 23.629 136 ARG 11.031 32.665 23.602 137 GLY 14.087 34.870 24.097 138 ASP 15.392 34.802 20.505 139 LEU 16.454 38.446 20.123 140 ASN 19.083 38.339 17.361 141 ASP 16.331 37.844 14.830 142 CYS 13.278 39.981 15.446 143 PHE 11.464 43.239 15.426 144 ILE 10.099 44.164 18.868 145 PRO 6.905 46.222 19.171 146 CYS 7.820 49.917 19.354 147 THR 6.035 50.859 22.594 148 PRO 7.785 48.149 24.672 149 LYS 11.061 48.972 22.906 150 GLY 10.592 52.634 23.938 151 CYS 9.768 51.600 27.502 152 LEU 12.946 49.485 27.703 153 GLU 15.014 52.454 26.488 154 LEU 13.384 54.671 29.188 155 ILE 14.237 52.120 31.862 156 LYS 17.818 51.982 30.599 157 GLU 18.009 55.789 30.860 158 THR 17.803 55.449 34.641 159 GLY 21.153 53.573 34.528 160 VAL 19.725 50.988 36.992 161 PRO 20.391 47.403 35.872 162 ILE 17.299 45.376 35.097 163 ALA 18.764 41.954 35.924 164 GLY 17.429 40.565 39.168 165 ARG 14.878 43.321 39.694 166 HIS 11.245 42.407 40.266 167 ALA 9.236 44.007 37.486 168 VAL 5.480 44.279 37.275 169 VAL 3.666 44.823 33.995 170 VAL 0.014 45.846 34.286 171 GLY -1.693 44.881 31.017 172 ARG -1.097 42.013 28.574 173 SER -2.064 43.374 25.182 174 LYS -0.298 42.285 22.028 175 ILE 0.850 45.820 21.349 176 VAL 2.245 46.664 24.732 177 GLY 1.896 44.464 27.834 178 ALA 2.658 40.992 26.488 179 PRO 5.848 42.007 24.611 180 MET 6.854 44.285 27.518 181 HIS 6.823 41.250 29.784 182 ASP 9.076 39.394 27.354 183 LEU 11.571 42.254 27.049 184 LEU 11.908 42.514 30.825 185 LEU 12.186 38.734 31.288 186 TRP 14.881 38.419 28.659 187 ASN 16.723 41.322 30.302 188 ASN 16.679 39.058 33.396 189 ALA 14.065 40.741 35.523 190 THR 11.750 38.512 37.518 191 VAL 8.432 39.580 36.016 192 THR 4.818 39.592 37.214 193 THR 2.056 40.231 34.678 194 CYS -1.258 41.593 35.911 195 HIS -4.484 42.177 34.018 196 SER -8.202 42.763 34.571 197 LYS -8.634 39.472 36.465 198 THR -5.767 40.130 38.876 199 ALA -6.847 40.234 42.510 200 HIS -5.218 42.625 44.960 201 LEU -3.649 44.641 42.156 202 ASP -2.310 47.155 44.679 203 GLU -0.288 44.419 46.400 204 GLU 1.095 43.207 43.103 205 VAL 2.091 46.714 41.984 206 ASN 3.829 47.249 45.310 207 LYS 6.313 44.454 44.461 208 GLY 7.583 46.375 41.486 209 ASP 11.111 47.748 41.416 210 ILE 10.198 48.451 37.770 211 LEU 6.560 49.078 36.958 212 VAL 5.174 49.359 33.440 213 VAL 1.519 50.292 33.158 214 ALA -0.487 49.829 29.956 215 THR -4.148 49.543 30.766 216 GLY -5.958 52.522 29.250 217 GLN -7.712 53.201 32.621 218 PRO -7.078 56.779 33.731 219 GLU -4.890 57.233 36.789 220 MET -5.988 53.766 38.009 221 VAL -2.613 52.892 39.481 222 LYS -2.514 54.859 42.702 223 GLY 0.699 56.481 43.966 224 GLU 0.208 54.725 47.321 225 TRP 0.688 51.347 45.652 226 ILE 4.074 52.287 44.199 227 LYS 7.092 50.665 45.862 228 PRO 9.345 53.435 47.233 229 GLY 12.198 54.022 44.764 230 ALA 10.426 52.272 41.870 231 ILE 10.999 53.128 38.218 232 VAL 7.523 53.847 36.784 233 ILE 6.746 53.714 33.108 234 ASP 3.305 54.887 32.099 235 CYS 2.109 54.043 28.617 236 GLY -1.445 55.339 29.110 237 ILE -3.009 57.970 26.896 238 ASN -6.405 58.809 28.438 239 TYR -8.722 61.802 27.904 240 LYS -6.824 66.773 29.973 241 VAL -4.599 63.898 28.782 242 VAL -3.509 61.659 31.664 243 GLY -1.687 58.378 32.020 244 ASP -2.644 55.136 33.699 245 VAL -0.777 56.180 36.801 246 ALA -1.895 58.888 39.237 247 TYR 1.210 60.972 38.543 248 ASP 1.149 63.567 41.297 249 GLU 1.041 60.870 44.003 250 ALA 3.393 58.387 42.271 251 LYS 6.109 60.997 41.758 252 GLU 6.465 61.272 45.541 253 ARG 7.173 57.504 45.789 254 ALA 9.047 56.581 42.617 255 SER 12.721 57.326 41.957 256 PHE 12.108 57.755 38.229 257 ILE 8.850 58.340 36.322 258 THR 7.612 59.092 32.847 259 PRO 5.302 62.040 32.455 260 VAL 2.209 61.901 30.185 261 PRO 2.342 63.274 27.635 262 GLY 6.030 63.432 26.631 263 GLY 7.200 60.104 28.102 264 VAL 6.533 56.861 26.282 265 GLY 4.736 58.528 23.340 266 PRO 7.707 60.142 21.603 267 MET 9.909 57.123 22.378 268 THR 7.490 54.826 20.470 269 VAL 7.888 56.927 17.323 270 ALA 11.651 57.004 17.715 271 MET 11.716 53.213 18.040 272 LEU 9.625 52.745 14.912 273 MET 12.146 54.878 13.041 274 GLN 15.013 52.847 14.512 275 SER 13.368 49.599 13.323 276 THR 12.788 51.151 9.887 277 VAL 16.432 52.118 9.572 278 GLU 17.392 48.571 10.604 279 SER 15.045 47.127 7.950 280 ALA 16.757 49.303 5.287 281 LYS 20.231 48.317 6.516 282 ARG 19.372 44.600 6.616 283 PHE 18.144 44.952 3.030 284 LEU 21.516 46.430 2.035 285 GLU 23.449 43.788 4.018 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 S S S S C C H H H H 10 H H H H H H H H H H 20 H H H H H H H H H H 30 H S S S S S S S S S 40 S S S C H H H H H H 50 H H H H H H H H H H 60 H H H/S S S S S S S S 70 S S S C C H H H H H 80 H H H H H H H H H H 90 C S S S S/S S S S S S/P 100 S S S S S/S S S S S/H H 110 H H H H H H 3 T T T 120 T T T T T C H H H H 130 H H H H H H H T T T 140 T S S S S/H H H H H H 150 H H H H H H H H 3/S S 160 S S C S S S S S S S 170 S/S S S S C H H H H H 180 H H H H H H H H S S 190 S S S S S S S S S S/H 200 H H H H H H H 3 S S 210 S S S S S S S S S C 220 C T T T T/S S S S S S 230 S S S S S/S S S S S/X X/S 240 S S S S C H H H H H 250 H H H H S S S S S/T T/P 260 T T C H H H H H H H 270 H H H H H H H H H H 280 H H H H H Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 E E e h H H H 10 H H H H H H H H H H 20 H H H H H H H H H h 30 T T t e E E E E E 40 E E e h H H H H H 50 H H H H H H H H H H 60 H H h t E E E E E E 70 E t T T t h H H H H 80 H H H H H H H H H h 90 T T t E E E E e S 100 S S S h H 110 H H H H H h g g G G 120 G B T T t h H H H 130 H H H H H h T t S 140 S h H H H H H 150 H H H H H H h T T t 160 t T T e E E E E E 170 e t T T h H H H H 180 H H H H H H h T t E 190 E E E E t T T t S h 200 H H H H H h T t e E 210 E E E e t T T t 220 B g G G G g t T T e 230 E E E E e B 240 B S B h H H H H 250 h T T t e E E e S 260 S S h H H H H H H H 270 H H H H H H H H H H 280 H H H H h Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 ALA 4.2 5.8 84.5 2 PRO 65.8 52.9 70.8 3 ALA 69.7 96.0 55.2 4 GLU 35.8 25.8 75.8 5 ILE 61.8 43.1 74.2 6 LEU 140.5 95.0 39.6 7 ASN 74.3 61.4 62.7 8 GLY 34.8 100.0 50.9 9 LYS 30.3 17.4 79.6 10 GLU 42.0 30.3 76.9 11 ILE 127.3 88.7 47.2 12 SER 83.4 99.8 52.1 13 ALA 35.0 48.2 81.0 14 GLN 37.0 24.9 75.0 15 ILE 135.7 94.6 47.4 16 ARG 146.2 70.0 56.1 17 ALA 17.7 24.4 77.5 18 ARG 111.7 53.5 69.1 19 LEU 146.3 99.0 46.9 20 LYS 64.7 37.3 80.1 21 ASN 35.6 29.4 78.2 22 GLN 78.4 52.8 64.1 23 VAL 117.8 99.2 40.7 24 THR 44.5 41.6 70.7 25 GLN 50.2 33.8 77.4 26 LEU 133.8 90.5 42.4 27 LYS 110.8 63.9 63.3 28 GLU 34.2 24.6 73.2 29 GLN 46.7 31.4 70.9 30 VAL 56.3 47.4 58.7 31 PRO 37.0 29.7 86.0 32 GLY 0.0 0.0 84.3 33 PHE 142.0 85.1 43.6 34 THR 53.5 50.1 61.9 35 PRO 124.5 100.0 30.7 36 ARG 165.4 79.2 57.8 37 LEU 147.8 100.0 32.9 38 ALA 72.5 99.9 36.6 39 ILE 143.5 100.0 35.6 40 LEU 147.8 100.0 30.8 41 GLN 145.5 97.9 52.6 42 VAL 118.8 100.0 37.8 43 GLY 34.4 98.9 59.6 44 ASN 43.2 35.7 80.2 45 ARG 106.8 51.1 77.4 46 ASP 4.7 4.2 87.0 47 ASP 65.4 59.2 67.7 48 SER 79.6 95.2 56.1 49 ASN 88.4 73.1 76.5 50 LEU 30.6 20.7 78.2 51 TYR 88.4 48.8 68.1 52 ILE 143.4 99.9 41.1 53 ASN 41.0 33.9 68.4 54 VAL 40.1 33.8 65.4 55 LYS 146.4 84.4 45.8 56 LEU 108.1 73.1 60.3 57 LYS 31.9 18.4 86.6 58 ALA 66.9 92.2 47.7 59 ALA 72.6 100.0 42.4 60 GLU 11.2 8.1 88.3 61 GLU 56.2 40.5 69.8 62 ILE 142.5 99.3 33.0 63 GLY 15.7 45.2 74.0 64 ILE 143.5 100.0 35.4 65 LYS 62.7 36.2 77.6 66 ALA 68.9 94.9 49.6 67 THR 71.5 66.9 65.2 68 HIS 119.2 79.4 50.0 69 ILE 100.2 69.8 43.8 70 LYS 108.9 62.8 72.9 71 LEU 139.9 94.7 38.9 72 PRO 43.0 34.6 81.5 73 ARG 92.2 44.1 75.6 74 THR 31.3 29.3 75.4 75 THR 105.5 98.7 45.5 76 THR 52.4 49.0 64.6 77 GLU 99.0 71.4 56.2 78 SER 21.9 26.2 68.5 79 GLU 56.0 40.4 71.7 80 VAL 118.8 100.0 25.0 81 MET 99.5 62.4 57.8 82 LYS 34.6 19.9 82.4 83 TYR 93.8 51.8 54.5 84 ILE 143.3 99.8 36.7 85 THR 42.2 39.4 79.0 86 SER 19.5 23.3 77.1 87 LEU 136.3 92.2 33.0 88 ASN 94.8 78.4 54.3 89 GLU 29.0 20.9 76.7 90 ASP 62.0 56.1 73.3 91 SER 8.3 9.9 79.4 92 THR 33.2 31.1 80.5 93 VAL 118.6 99.8 53.3 94 HIS 142.1 94.6 51.0 95 GLY 34.8 100.0 45.5 96 PHE 166.8 100.0 33.0 97 LEU 146.4 99.0 44.4 98 VAL 118.8 100.0 30.7 99 GLN 134.8 90.7 47.6 100 LEU 115.0 77.8 44.4 101 PRO 54.6 43.8 78.1 102 LEU 140.4 95.0 43.7 103 ASP 89.4 80.9 60.8 104 SER 82.2 98.3 59.6 105 GLU 50.7 36.6 78.5 106 ASN 75.9 62.8 70.6 107 SER 0.0 0.0 85.7 108 ILE 140.9 98.2 43.3 109 ASN 52.8 43.7 75.0 110 THR 59.2 55.4 54.9 111 GLU 55.3 39.9 86.6 112 GLU 55.9 40.4 76.9 113 VAL 118.7 99.9 29.1 114 ILE 134.0 93.3 42.1 115 ASN 90.3 74.7 62.4 116 ALA 48.5 66.7 60.3 117 ILE 141.3 98.4 45.3 118 ALA 49.2 67.7 61.0 119 PRO 99.5 79.9 65.3 120 GLU 26.3 19.0 68.0 121 LYS 146.5 84.5 58.4 122 ASP 108.8 98.5 53.8 123 VAL 118.8 100.0 44.2 124 ASP 84.5 76.5 51.1 125 GLY 34.8 100.0 61.9 126 LEU 131.6 89.0 47.4 127 THR 105.2 98.4 58.7 128 SER 31.4 37.5 79.2 129 ILE 57.2 39.8 71.1 130 ASN 119.7 99.0 60.5 131 ALA 27.9 38.4 74.6 132 GLY 6.2 17.8 74.6 133 ARG 130.6 62.5 69.0 134 LEU 145.7 98.6 38.3 135 ALA 50.7 69.9 73.6 136 ARG 40.4 19.3 85.2 137 GLY 33.5 96.2 52.6 138 ASP 37.9 34.3 73.3 139 LEU 100.4 67.9 60.2 140 ASN 0.0 0.0 90.4 141 ASP 53.0 47.9 68.1 142 CYS 97.9 98.7 54.8 143 PHE 157.0 94.1 61.9 144 ILE 126.7 88.3 40.2 145 PRO 118.7 95.3 47.9 146 CYS 94.7 95.4 55.8 147 THR 89.9 84.1 41.1 148 PRO 124.5 100.0 37.8 149 LYS 138.4 79.8 58.2 150 GLY 34.8 100.0 54.2 151 CYS 99.2 100.0 29.4 152 LEU 127.3 86.1 46.4 153 GLU 84.1 60.7 54.7 154 LEU 147.8 100.0 31.8 155 ILE 143.5 100.0 28.0 156 LYS 74.0 42.7 74.4 157 GLU 70.7 51.0 64.3 158 THR 106.7 99.8 40.0 159 GLY 0.0 0.0 87.4 160 VAL 64.8 54.6 58.0 161 PRO 24.1 19.4 81.6 162 ILE 136.4 95.1 39.8 163 ALA 28.9 39.8 75.4 164 GLY 0.3 0.8 85.4 165 ARG 107.8 51.6 70.5 166 HIS 103.4 68.9 61.6 167 ALA 72.6 100.0 35.5 168 VAL 118.8 100.0 43.4 169 VAL 118.7 100.0 45.7 170 VAL 116.7 98.2 30.1 171 GLY 26.6 76.4 60.4 172 ARG 89.8 43.0 67.2 173 SER 31.3 37.5 76.9 174 LYS 43.3 25.0 72.7 175 ILE 73.5 51.2 52.4 176 VAL 97.7 82.2 38.8 177 GLY 34.8 100.0 50.7 178 ALA 32.5 44.7 64.2 179 PRO 115.2 92.5 47.3 180 MET 159.4 100.0 27.5 181 HIS 102.9 68.5 59.6 182 ASP 93.3 84.4 52.9 183 LEU 144.5 97.8 35.2 184 LEU 147.8 100.0 24.7 185 LEU 86.8 58.7 67.1 186 TRP 122.0 59.5 66.7 187 ASN 86.0 71.2 49.9 188 ASN 26.2 21.6 79.9 189 ALA 72.6 100.0 50.9 190 THR 26.2 24.5 75.6 191 VAL 118.7 99.9 49.5 192 THR 75.5 70.6 60.5 193 THR 80.9 75.6 50.9 194 CYS 98.2 99.0 35.8 195 HIS 104.5 69.6 65.8 196 SER 12.6 15.1 80.2 197 LYS 31.4 18.1 88.2 198 THR 89.6 83.9 57.9 199 ALA 12.0 16.5 79.6 200 HIS 35.9 23.9 82.9 201 LEU 120.4 81.5 39.1 202 ASP 56.3 50.9 56.9 203 GLU 34.1 24.6 77.8 204 GLU 101.2 73.0 56.3 205 VAL 118.8 100.0 31.2 206 ASN 63.8 52.7 74.0 207 LYS 75.9 43.8 75.8 208 GLY 34.8 100.0 59.3 209 ASP 94.4 85.4 58.5 210 ILE 142.3 99.2 29.2 211 LEU 146.8 99.3 32.7 212 VAL 118.8 100.0 27.9 213 VAL 118.8 100.0 40.4 214 ALA 66.5 91.6 48.7 215 THR 88.5 82.8 50.4 216 GLY 10.4 29.9 84.6 217 GLN 50.6 34.1 70.6 218 PRO 57.5 46.2 69.8 219 GLU 72.6 52.4 68.1 220 MET 114.6 71.9 46.8 221 VAL 118.8 100.0 27.0 222 LYS 98.2 56.7 70.1 223 GLY 34.8 100.0 56.0 224 GLU 22.9 16.5 77.5 225 TRP 151.9 74.1 53.9 226 ILE 143.1 99.7 37.5 227 LYS 98.1 56.6 75.4 228 PRO 49.2 39.5 78.8 229 GLY 9.7 27.9 73.2 230 ALA 71.5 98.5 56.5 231 ILE 137.7 95.9 38.1 232 VAL 118.8 100.0 30.1 233 ILE 143.5 100.0 30.8 234 ASP 106.8 96.6 51.2 235 CYS 95.0 95.8 38.4 236 GLY 30.8 88.5 71.8 237 ILE 84.3 58.7 66.3 238 ASN 107.9 89.2 52.5 239 TYR 52.3 28.9 70.4 240 LYS 15.6 9.0 89.9 241 VAL 77.9 65.6 47.6 242 VAL 82.9 69.8 60.0 243 GLY 34.6 99.5 62.2 244 ASP 110.4 100.0 61.0 245 VAL 117.9 99.3 37.0 246 ALA 65.9 90.7 63.3 247 TYR 124.8 69.0 54.7 248 ASP 21.0 19.0 73.6 249 GLU 59.5 43.0 67.5 250 ALA 72.6 100.0 42.3 251 LYS 121.1 69.9 58.9 252 GLU 56.7 40.9 71.0 253 ARG 119.0 57.0 72.1 254 ALA 72.6 100.0 49.2 255 SER 47.0 56.2 56.2 256 PHE 125.4 75.2 45.1 257 ILE 142.7 99.4 39.2 258 THR 106.9 100.0 40.6 259 PRO 96.2 77.3 61.3 260 VAL 110.8 93.3 60.3 261 PRO 36.0 29.0 73.7 262 GLY 17.5 50.3 56.0 263 GLY 34.8 100.0 57.9 264 VAL 112.1 94.4 46.1 265 GLY 9.3 26.8 63.6 266 PRO 91.3 73.4 64.0 267 MET 159.4 100.0 35.8 268 THR 73.0 68.3 62.0 269 VAL 99.3 83.6 44.1 270 ALA 72.6 100.0 41.9 271 MET 154.9 97.2 45.2 272 LEU 144.4 97.7 41.0 273 MET 159.4 100.0 32.2 274 GLN 106.6 71.7 60.6 275 SER 81.9 98.0 52.1 276 THR 106.9 100.0 40.5 277 VAL 110.9 93.4 40.6 278 GLU 78.7 56.8 69.2 279 SER 82.5 98.6 51.1 280 ALA 72.6 100.0 45.5 281 LYS 62.2 35.8 68.8 282 ARG 110.1 52.7 72.6 283 PHE 70.7 42.4 72.0 284 LEU 113.6 76.9 43.4 285 GLU 41.8 30.1 64.5