Protein Data Bank File : 1a8p Title : OXIDOREDUCTASE 28-MAR-98 1A8P Number of Amino Acid Residues : 257 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 SER ASN LEU ASN VAL GLU ARG VAL LEU SER 10 VAL HIS HIS TRP ASN ASP THR LEU PHE SER 20 PHE LYS THR THR ARG ASN PRO SER LEU ARG 30 PHE GLU ASN GLY GLN PHE VAL MET ILE GLY 40 LEU GLU VAL ASP GLY ARG PRO LEU MET ARG 50 ALA TYR SER ILE ALA SER PRO ASN TYR GLU 60 GLU HIS LEU GLU PHE PHE SER ILE LYS VAL 70 GLN ASN GLY PRO LEU THR SER ARG LEU GLN 80 HIS LEU LYS GLU GLY ASP GLU LEU MET VAL 90 SER ARG LYS PRO THR GLY THR LEU VAL THR 100 SER ASP LEU LEU PRO GLY LYS HIS LEU TYR 110 MET LEU SER THR GLY THR GLY LEU ALA PRO 120 PHE MET SER LEU ILE GLN ASP PRO GLU VAL 130 TYR GLU ARG PHE GLU LYS VAL VAL LEU ILE 140 HIS GLY VAL ARG GLN VAL ASN GLU LEU ALA 150 TYR GLN GLN PHE ILE THR GLU HIS LEU PRO 160 GLN SER GLU TYR PHE GLY GLU ALA VAL LYS 170 GLU LYS LEU ILE TYR TYR PRO THR VAL THR 180 ARG GLU SER PHE HIS ASN GLN GLY ARG LEU 190 THR ASP LEU MET ARG SER GLY LYS LEU PHE 200 GLU ASP ILE GLY LEU PRO PRO ILE ASN PRO 210 GLN ASP ASP ARG ALA MET ILE CYS GLY SER 220 PRO SER MET LEU ASP GLU SER CYS GLU VAL 230 LEU ASP GLY PHE GLY LEU LYS ILE SER PRO 240 ARG MET GLY GLU PRO GLY ASP TYR LEU ILE 250 GLU ARG ALA PHE VAL GLU LYS Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 SER 0.0 117.5 179.9 -127.5 2 ASN -93.1 53.1 -179.8 -68.1 -102.4 3 LEU -129.1 130.7 178.9 -93.8 28.5 4 ASN -81.3 150.2 178.3 -57.6 -39.0 5 VAL -110.7 112.4 179.4 174.6 6 GLU -108.1 161.2 179.5 -51.9 -66.5 -5.2 7 ARG -120.2 143.5 -178.2 56.1 171.5 -117.0 -107.7 8 VAL -74.5 122.5 -179.4 -178.8 9 LEU -88.8 -28.4 179.5 -63.6 172.9 10 SER -177.2 156.6 179.9 61.4 11 VAL -135.2 155.4 179.7 -48.4 12 HIS -151.0 124.1 179.3 168.9 89.7 13 HIS -96.6 126.9 -180.0 -62.9 -101.0 14 TRP -82.8 -46.5 178.0 -50.8 103.8 15 ASN -156.6 -170.9 -177.7 64.6 -14.1 16 ASP -73.4 1.7 179.8 63.6 -62.4 17 THR -128.2 -3.4 -179.0 63.9 18 LEU -136.6 146.7 177.6 -59.3 166.9 19 PHE -164.0 152.2 179.2 73.1 -70.5 20 SER -122.6 158.4 178.5 -66.4 21 PHE -154.4 148.1 179.8 61.8 89.1 22 LYS -112.8 146.9 179.5 -54.3 179.1 -173.5 -172.0 23 THR -137.3 173.4 177.9 69.4 24 THR -74.8 165.3 178.3 50.7 25 ARG -135.4 121.7 178.7 -156.8 -121.1 -67.8 -148.8 26 ASN -71.1 128.6 -180.0 -167.5 123.2 27 PRO -59.4 -11.4 178.9 24.3 -40.8 28 SER -77.3 -20.3 178.5 62.1 29 LEU -82.9 105.7 179.2 176.4 70.1 30 ARG -113.4 144.3 179.0 -54.8 174.2 -59.6 -88.0 31 PHE -153.1 163.5 178.0 70.5 -81.8 32 GLU -99.6 134.8 179.8 -138.4 62.0 70.4 33 ASN -56.3 123.0 -179.1 -62.4 -47.3 34 GLY 114.9 -13.8 -179.8 35 GLN -80.6 164.6 178.9 -66.5 -170.8 -63.6 36 PHE -121.2 161.7 -179.1 70.6 -89.5 37 VAL -140.5 177.2 178.8 75.1 38 MET -106.4 134.9 178.4 -54.6 -80.7 165.0 39 ILE -129.6 154.2 -179.5 68.0 162.0 40 GLY -174.3 179.9 -178.8 41 LEU -126.2 151.2 178.0 -96.5 21.9 42 GLU -79.0 118.2 179.7 -178.2 64.5 67.4 43 VAL -138.8 112.1 179.2 -65.2 44 ASP 54.2 55.0 178.1 -72.9 -48.2 45 GLY 97.1 -35.0 -179.1 46 ARG -126.5 150.1 179.2 -64.5 -66.3 -175.6 -80.0 47 PRO -76.2 135.9 179.7 -27.1 43.9 48 LEU -95.8 100.9 -177.2 -145.3 -177.9 49 MET -103.4 146.6 179.4 -49.1 -62.4 -85.4 50 ARG -142.2 150.6 179.8 -67.7 -74.1 -171.6 -89.5 51 ALA -75.8 132.3 -179.9 52 TYR -146.3 130.4 178.5 -93.9 82.4 53 SER -73.0 143.8 178.6 -70.2 54 ILE -82.9 120.9 -178.6 -59.8 166.2 55 ALA -89.5 9.8 179.3 56 SER -120.9 153.3 179.9 51.4 57 PRO -69.5 143.4 -178.2 -21.5 38.1 58 ASN -66.7 -7.6 179.3 58.9 9.3 59 TYR -88.4 -10.6 179.5 52.4 78.7 60 GLU -87.2 147.9 -178.8 -51.3 -170.2 -40.6 61 GLU -94.3 48.0 177.7 -63.8 173.2 -74.4 62 HIS -165.3 165.3 179.4 74.3 -107.9 63 LEU -120.4 153.2 177.1 -65.1 169.9 64 GLU -135.5 141.0 -179.7 -172.3 178.5 -7.5 65 PHE -129.5 141.0 179.5 -65.8 -79.4 66 PHE -110.5 114.7 -175.8 178.5 30.3 67 SER -121.0 156.6 177.7 178.7 68 ILE -96.6 163.8 178.6 -170.8 75.6 69 LYS -125.7 103.1 -179.6 -86.9 179.0 -75.2 -173.3 70 VAL -97.8 138.2 -179.7 -176.2 71 GLN -41.9 -63.3 176.8 -164.6 59.9 -52.9 72 ASN -91.5 136.5 178.9 54.7 -64.2 73 GLY -78.2 -106.0 -0.1 74 PRO -75.4 -4.9 179.4 32.7 -44.5 75 LEU -84.2 -61.9 -178.0 -173.3 69.4 76 THR -64.5 -19.2 178.5 58.3 77 SER -69.2 -25.2 179.7 53.9 78 ARG -101.3 -41.5 -177.9 -57.1 172.3 -151.7 -84.0 79 LEU -56.4 -30.3 -179.7 -160.7 64.1 80 GLN -62.2 -21.3 179.5 59.7 173.2 -174.7 81 HIS -93.1 11.0 180.0 -52.1 -59.4 82 LEU -55.6 133.9 -179.0 -138.4 54.0 83 LYS -124.5 159.5 179.2 -66.8 165.1 -60.9 -176.1 84 GLU -61.4 126.6 -179.7 179.1 -175.9 39.7 85 GLY 105.8 -20.9 179.1 86 ASP -63.9 152.5 180.0 -80.9 12.5 87 GLU -101.4 151.8 -178.3 -77.6 173.0 -6.8 88 LEU -140.8 145.9 178.3 -173.5 94.5 89 MET -99.1 134.6 -178.5 -65.2 -173.0 -103.4 90 VAL -129.4 139.0 179.7 -175.4 91 SER -69.9 170.9 -177.5 62.1 92 ARG -86.8 -33.5 -178.1 -63.2 -97.2 178.0 67.6 93 LYS -123.7 119.1 179.6 -67.0 -176.2 64.4 177.6 94 PRO -72.8 163.0 179.8 -27.2 44.1 95 THR -157.9 -172.3 179.8 -176.8 96 GLY 125.7 161.7 -177.7 97 THR -100.2 -9.8 -178.5 54.5 98 LEU -88.7 70.3 179.4 -97.6 34.9 99 VAL -129.2 140.4 -179.0 -73.0 100 THR -60.3 -20.1 -179.4 54.3 101 SER -67.5 -24.7 -179.9 52.7 102 ASP -93.8 18.0 179.8 -75.3 -15.0 103 LEU -109.8 121.4 177.6 -119.9 38.4 104 LEU -67.3 150.2 -179.9 -66.2 162.1 105 PRO -54.2 143.9 179.7 25.6 -40.5 106 GLY -162.6 -167.2 -180.0 107 LYS -121.1 -18.2 178.3 54.9 171.6 58.1 -175.9 108 HIS -128.0 134.5 179.5 -54.1 132.4 109 LEU -119.1 110.9 178.0 -154.1 -138.5 110 TYR -93.2 125.8 178.2 -75.1 71.6 111 MET -110.4 101.2 -178.8 -56.9 177.3 137.1 112 LEU -96.2 119.7 -179.7 -31.4 -165.7 113 SER -141.2 157.8 176.9 73.0 114 THR -136.9 141.7 179.5 53.6 115 GLY 53.3 -126.5 -179.1 116 THR -75.0 -5.2 178.3 58.8 117 GLY -63.6 -7.5 178.9 118 LEU -70.9 -28.2 -177.6 -157.0 -143.3 119 ALA -42.0 -61.1 -179.9 120 PRO -62.0 -27.6 -179.3 31.7 -45.6 121 PHE -73.9 -20.9 178.4 -62.1 -39.7 122 MET -67.0 -30.0 178.7 -70.1 -56.2 -60.7 123 SER -83.4 -31.8 179.7 69.3 124 LEU -71.1 -37.1 179.8 -115.4 0.0 125 ILE -76.8 -5.9 178.5 60.5 170.8 126 GLN -112.0 13.6 179.8 -60.9 -178.4 68.4 127 ASP -99.8 110.2 -179.8 -177.0 -1.8 128 PRO -57.6 -17.7 179.9 -32.1 45.4 129 GLU -70.1 -38.7 -179.6 -176.3 -165.1 72.8 130 VAL -66.2 -29.0 178.9 -42.3 131 TYR -75.5 -26.3 179.0 -68.7 -63.1 132 GLU -79.1 -31.7 -179.1 -66.5 171.6 8.5 133 ARG -86.9 -29.0 -177.7 -68.1 -176.4 71.2 -133.7 134 PHE -119.2 152.9 178.7 -60.5 -79.2 135 GLU -81.1 -36.7 -179.9 -64.0 -170.1 0.3 136 LYS -138.7 141.5 178.3 -80.0 -64.9 -171.1 -61.2 137 VAL -125.2 117.2 -179.1 179.7 138 VAL -106.2 114.1 179.4 -176.7 139 LEU -102.1 110.2 179.2 -147.5 -154.2 140 ILE -105.4 124.8 178.7 -50.8 163.9 141 HIS -123.8 102.1 179.6 -171.2 -151.4 142 GLY -83.9 135.8 -177.5 143 VAL -147.3 169.2 -179.4 108.1 144 ARG -91.4 -40.3 -178.0 -81.0 -175.1 46.6 98.9 145 GLN -131.7 154.4 -179.3 -47.1 167.1 50.9 146 VAL -57.5 -39.3 -179.2 -174.6 147 ASN -69.0 -3.7 179.3 65.7 2.0 148 GLU -92.7 -3.5 179.0 -68.2 -179.4 -20.0 149 LEU -79.8 67.0 179.2 -69.4 170.9 150 ALA -59.9 150.8 179.6 151 TYR 67.6 8.1 179.3 -60.7 -74.6 152 GLN -45.1 -59.2 -179.4 -97.7 -86.6 176.1 153 GLN -63.4 -42.0 -180.0 -155.5 70.0 37.4 154 PHE -56.9 -51.1 -179.7 179.0 -89.3 155 ILE -64.8 -46.0 -177.8 -67.2 165.6 156 THR -76.9 -48.3 -179.2 -80.0 157 GLU -95.0 -62.9 -177.3 -179.7 -171.7 24.6 158 HIS -60.9 -48.3 -179.2 -174.6 -123.8 159 LEU -56.4 -48.5 179.5 -137.1 47.3 160 PRO -60.2 -23.7 -179.9 -33.1 44.7 161 GLN -81.2 -12.9 -179.2 -59.7 -66.0 68.5 162 SER -47.9 134.6 -179.9 163.2 163 GLU -80.0 -21.6 -178.3 -177.8 -174.8 77.8 164 TYR -93.7 -23.6 179.3 -71.9 -55.7 165 PHE -158.5 22.7 179.2 56.7 81.5 166 GLY -62.4 -35.8 178.8 167 GLU -61.6 -45.5 179.9 -81.9 -89.2 78.8 168 ALA -62.9 -39.1 179.5 169 VAL -60.6 -57.4 -180.0 -179.2 170 LYS -55.7 -33.2 -177.8 -64.8 175.1 179.5 -179.9 171 GLU -87.3 -32.8 -176.9 178.7 -178.5 -74.7 172 LYS -117.4 -20.5 -177.2 -51.9 -170.8 173.0 -165.5 173 LEU -90.5 120.2 177.7 -155.2 -110.8 174 ILE -112.6 111.1 179.3 -56.9 175.5 175 TYR -93.6 123.4 -179.4 174.6 48.7 176 TYR -131.9 86.6 179.6 -169.2 88.9 177 PRO -82.5 145.9 179.0 34.6 -44.4 178 THR -130.8 136.3 -179.8 71.5 179 VAL -116.8 131.8 -177.8 174.1 180 THR -85.5 -56.1 -177.2 -119.4 181 ARG -87.4 -18.5 -178.6 -56.8 -73.6 -116.8 167.7 182 GLU -118.6 159.0 179.5 -59.1 177.8 -23.0 183 SER -53.3 123.0 -178.7 -59.1 184 PHE -154.8 151.0 -179.3 -158.3 66.3 185 HIS -69.4 -18.8 176.7 62.9 -82.9 186 ASN -119.9 81.5 -177.8 -72.8 160.9 187 GLN -86.3 131.3 178.6 -160.3 73.6 71.4 188 GLY 115.6 178.7 179.0 189 ARG -86.6 134.1 -179.0 -74.6 -164.6 -59.4 172.3 190 LEU -52.8 -30.0 178.6 64.5 -51.6 191 THR -65.9 -38.6 179.6 -172.9 192 ASP -73.8 -39.4 -180.0 -64.2 -33.9 193 LEU -68.8 -27.2 179.4 -65.5 165.5 194 MET -86.7 -39.3 179.5 -177.4 169.4 -80.8 195 ARG -64.9 -38.8 -179.5 -174.9 159.1 50.7 -128.5 196 SER -75.9 -21.3 -179.8 67.3 197 GLY 93.6 0.1 -179.6 198 LYS -64.6 -40.8 -178.6 -173.9 -177.3 -167.1 -56.8 199 LEU -52.7 -44.9 -180.0 -165.4 149.6 200 PHE -66.1 -36.7 179.2 -47.2 -56.9 201 GLU -65.1 -42.2 178.9 -179.4 -171.6 -46.5 202 ASP -66.8 -41.1 -178.8 -71.5 -4.9 203 ILE -89.6 -1.3 178.1 67.8 173.5 204 GLY 77.0 10.7 178.9 205 LEU -105.4 151.5 179.7 -99.7 48.6 206 PRO -73.9 164.0 179.8 30.8 -44.6 207 PRO -57.0 151.8 -179.0 24.1 -40.1 208 ILE -64.8 136.6 178.4 -71.8 177.5 209 ASN -137.8 148.1 -179.2 71.7 73.3 210 PRO -68.7 8.0 -179.8 36.5 -43.8 211 GLN -109.4 -33.6 -178.6 -163.7 63.2 -142.4 212 ASP -107.3 -17.7 -175.2 -53.5 -29.5 213 ASP -114.2 135.3 179.0 -51.3 -79.6 214 ARG -125.1 154.1 -179.7 -54.3 -62.1 167.6 -116.2 215 ALA -147.0 160.9 176.9 216 MET -134.0 133.7 -178.6 -68.0 175.6 111.9 217 ILE -124.7 131.3 178.2 -46.2 167.4 218 CYS -145.2 112.7 179.9 -172.1 219 GLY -171.2 -168.4 179.4 220 SER -59.1 150.9 -179.9 38.8 221 PRO -51.7 -31.2 179.8 -35.0 45.2 222 SER -77.5 -38.0 179.2 60.9 223 MET -64.2 -30.0 179.8 171.1 -84.8 -162.5 224 LEU -69.9 -48.6 179.2 -107.7 61.0 225 ASP -59.1 -42.1 179.5 -65.3 -38.7 226 GLU -67.5 -38.8 179.6 -179.5 84.5 -41.8 227 SER -71.4 -37.7 178.4 -66.7 228 CYS -64.7 -41.8 179.1 -69.9 229 GLU -58.9 -42.1 179.3 -177.9 -81.7 -53.7 230 VAL -68.5 -45.1 -179.9 171.2 231 LEU -70.0 -34.0 178.6 -87.9 45.5 232 ASP -66.8 -27.6 179.3 -73.0 -9.5 233 GLY -67.0 -31.3 177.8 234 PHE -83.7 -5.1 179.7 -68.6 -64.3 235 GLY 97.0 5.8 179.7 236 LEU -72.4 148.2 -179.9 -83.7 63.3 237 LYS -113.8 124.1 -179.7 158.7 -93.6 178.2 -178.0 238 ILE -70.9 150.7 177.3 -165.3 173.9 239 SER -68.8 128.5 -179.4 147.9 240 PRO -62.2 -32.3 -179.2 32.2 -45.0 241 ARG -161.5 159.3 178.7 48.9 177.3 57.8 153.5 242 MET -60.4 118.8 -179.0 -163.1 -167.6 -59.7 243 GLY 111.5 -17.0 179.6 244 GLU -105.8 122.1 -179.8 -145.7 55.6 47.3 245 PRO -70.6 143.9 179.4 31.0 -43.9 246 GLY -148.3 -171.2 179.7 247 ASP -76.9 -30.3 178.9 -62.8 -15.5 248 TYR -152.5 159.9 -178.4 71.7 -85.5 249 LEU -125.0 145.3 178.5 -82.6 15.5 250 ILE -130.3 154.2 178.1 70.7 170.6 251 GLU -160.1 141.9 179.8 -173.1 178.1 84.7 252 ARG -80.0 137.5 179.6 -50.6 -173.3 -52.5 -163.1 253 ALA -77.2 -26.6 179.0 254 PHE -163.7 173.1 -179.0 61.3 88.8 255 VAL -117.4 152.4 177.7 -165.9 256 GLU -87.5 108.2 179.9 44.9 89.0 27.2 257 LYS -102.1 -37.1 0.0 -66.7 171.9 -172.7 172.1 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 SER 51.152 -17.824 12.527 2 ASN 48.662 -15.310 11.098 3 LEU 46.053 -15.978 13.798 4 ASN 44.848 -13.581 16.542 5 VAL 44.446 -14.872 20.093 6 GLU 41.202 -13.733 21.770 7 ARG 39.869 -14.538 25.266 8 VAL 36.325 -15.528 26.205 9 LEU 34.372 -12.844 28.041 10 SER 31.185 -14.864 28.600 11 VAL 29.127 -17.828 27.398 12 HIS 25.410 -18.604 27.390 13 HIS 23.613 -21.868 26.646 14 TRP 20.183 -21.732 24.987 15 ASN 19.551 -25.500 25.079 16 ASP 21.520 -28.746 24.847 17 THR 22.427 -28.186 21.189 18 LEU 22.991 -24.415 21.085 19 PHE 25.146 -21.840 22.867 20 SER 26.645 -18.399 22.348 21 PHE 29.855 -16.766 23.571 22 LYS 31.571 -13.342 23.431 23 THR 35.289 -12.648 23.088 24 THR 37.703 -9.738 22.892 25 ARG 38.429 -8.314 19.425 26 ASN 41.830 -7.316 18.025 27 PRO 41.366 -3.995 16.169 28 SER 43.204 -5.412 13.138 29 LEU 40.184 -7.620 12.462 30 ARG 37.873 -5.533 10.339 31 PHE 34.733 -6.943 8.769 32 GLU 31.495 -6.214 6.950 33 ASN 28.337 -7.232 8.819 34 GLY 27.244 -10.648 7.563 35 GLN 30.756 -12.007 6.880 36 PHE 32.431 -15.040 8.395 37 VAL 35.867 -15.808 9.760 38 MET 37.659 -18.927 11.028 39 ILE 37.841 -19.710 14.733 40 GLY 39.391 -22.623 16.528 41 LEU 41.299 -24.322 19.301 42 GLU 44.787 -25.819 19.562 43 VAL 44.382 -29.625 19.666 44 ASP 47.235 -32.182 19.465 45 GLY 49.797 -30.168 17.508 46 ARG 47.517 -28.269 15.117 47 PRO 44.809 -25.620 15.469 48 LEU 41.359 -27.068 14.714 49 MET 39.695 -24.323 12.658 50 ARG 36.112 -23.855 11.493 51 ALA 34.145 -21.265 9.545 52 TYR 31.845 -19.123 11.730 53 SER 29.683 -16.118 10.922 54 ILE 30.237 -13.150 13.211 55 ALA 27.079 -12.632 15.294 56 SER 28.012 -9.122 16.559 57 PRO 27.925 -5.675 14.787 58 ASN 31.250 -4.406 13.419 59 TYR 31.176 -1.186 15.421 60 GLU 31.543 -3.037 18.739 61 GLU 34.927 -3.789 20.266 62 HIS 34.242 -7.455 20.990 63 LEU 33.011 -10.482 19.005 64 GLU 30.095 -12.820 19.508 65 PHE 29.515 -16.270 18.040 66 PHE 26.368 -18.420 17.838 67 SER 27.343 -22.103 17.808 68 ILE 25.932 -25.598 17.401 69 LYS 26.890 -28.542 19.629 70 VAL 27.526 -31.664 17.587 71 GLN 27.944 -35.038 19.308 72 ASN 31.299 -35.705 17.651 73 GLY 33.418 -32.591 17.278 74 PRO 36.152 -32.528 16.960 75 LEU 35.565 -28.806 17.490 76 THR 32.135 -28.350 19.081 77 SER 32.625 -31.430 21.226 78 ARG 35.331 -29.368 22.915 79 LEU 34.031 -25.881 22.205 80 GLN 30.879 -26.587 24.278 81 HIS 33.016 -26.564 27.420 82 LEU 34.238 -23.020 26.728 83 LYS 34.607 -21.049 29.939 84 GLU 35.166 -17.383 30.685 85 GLY 38.873 -16.734 30.351 86 ASP 39.531 -19.525 27.856 87 GLU 41.514 -18.573 24.761 88 LEU 40.471 -18.883 21.148 89 MET 42.206 -18.502 17.785 90 VAL 40.571 -16.313 15.104 91 SER 41.789 -15.763 11.515 92 ARG 42.936 -12.393 10.198 93 LYS 40.715 -11.787 7.165 94 PRO 36.899 -12.225 6.981 95 THR 35.143 -13.242 3.782 96 GLY 31.714 -14.395 2.620 97 THR 28.812 -13.622 0.292 98 LEU 26.258 -12.232 2.753 99 VAL 26.920 -8.477 2.483 100 THR 24.488 -5.655 1.675 101 SER 26.802 -4.254 -1.026 102 ASP 25.953 -7.087 -3.436 103 LEU 22.286 -6.245 -3.070 104 LEU 20.719 -4.061 -5.747 105 PRO 18.634 -1.230 -4.227 106 GLY 15.142 -2.090 -3.009 107 LYS 12.663 -1.426 -0.210 108 HIS 12.199 -4.741 1.644 109 LEU 15.028 -7.016 2.804 110 TYR 14.064 -10.612 3.624 111 MET 16.575 -12.489 5.819 112 LEU 15.765 -16.198 5.510 113 SER 17.476 -18.497 8.013 114 THR 17.257 -21.906 9.682 115 GLY 19.014 -23.131 12.814 116 THR 22.413 -21.493 13.225 117 GLY 21.991 -19.632 9.925 118 LEU 20.576 -16.856 12.134 119 ALA 24.158 -15.969 13.161 120 PRO 25.188 -13.563 10.369 121 PHE 21.766 -11.875 10.591 122 MET 22.299 -10.983 14.242 123 SER 25.041 -8.523 13.184 124 LEU 22.944 -7.260 10.256 125 ILE 19.848 -6.378 12.344 126 GLN 22.041 -4.232 14.604 127 ASP 23.537 -2.395 11.615 128 PRO 21.995 1.105 11.298 129 GLU 22.816 0.988 7.589 130 VAL 20.270 -1.725 6.691 131 TYR 17.627 0.451 8.345 132 GLU 18.820 3.369 6.215 133 ARG 18.635 1.361 2.968 134 PHE 15.319 -0.489 3.446 135 GLU 11.731 0.383 4.438 136 LYS 11.068 -3.010 6.030 137 VAL 13.400 -5.745 7.243 138 VAL 11.891 -9.203 7.658 139 LEU 13.871 -11.626 9.796 140 ILE 12.629 -15.194 9.361 141 HIS 14.118 -17.853 11.641 142 GLY 12.981 -21.393 10.869 143 VAL 13.449 -23.995 13.591 144 ARG 12.417 -27.488 14.800 145 GLN 11.565 -26.899 18.447 146 VAL 10.597 -23.871 20.492 147 ASN 13.744 -23.971 22.688 148 GLU 15.875 -23.475 19.567 149 LEU 14.616 -19.923 19.042 150 ALA 17.818 -18.342 20.378 151 TYR 17.926 -14.553 20.897 152 GLN 14.085 -14.399 21.144 153 GLN 14.008 -11.938 24.027 154 PHE 16.951 -9.948 22.658 155 ILE 15.262 -9.414 19.292 156 THR 11.793 -8.913 20.791 157 GLU 12.383 -7.031 24.041 158 HIS 15.905 -5.521 24.125 159 LEU 16.457 -4.381 20.509 160 PRO 13.304 -2.221 20.351 161 GLN 14.558 -0.564 23.564 162 SER 17.883 0.503 21.991 163 GLU 18.672 4.152 22.522 164 TYR 20.604 4.327 19.258 165 PHE 18.260 2.656 16.779 166 GLY 15.346 1.312 18.815 167 GLU 12.939 3.534 16.891 168 ALA 14.057 2.019 13.577 169 VAL 13.655 -1.487 14.983 170 LYS 10.057 -0.945 16.185 171 GLU 9.256 0.766 12.888 172 LYS 11.061 -1.463 10.351 173 LEU 11.895 -4.866 11.873 174 ILE 9.448 -7.765 11.479 175 TYR 10.524 -10.882 13.375 176 TYR 8.805 -14.034 12.092 177 PRO 9.966 -17.268 13.752 178 THR 8.586 -20.582 12.498 179 VAL 8.664 -23.902 14.353 180 THR 8.446 -27.226 12.545 181 ARG 7.980 -30.065 15.138 182 GLU 6.209 -28.394 18.099 183 SER 2.983 -26.442 18.677 184 PHE 3.646 -22.890 17.539 185 HIS 1.629 -19.951 16.196 186 ASN 3.756 -19.899 13.007 187 GLN 3.580 -23.598 12.187 188 GLY 5.625 -25.100 9.350 189 ARG 8.727 -24.582 7.209 190 LEU 9.394 -21.024 6.032 191 THR 9.743 -22.300 2.460 192 ASP 6.145 -23.641 2.422 193 LEU 4.702 -20.519 4.094 194 MET 6.387 -18.236 1.529 195 ARG 5.546 -20.356 -1.515 196 SER 1.861 -20.446 -0.607 197 GLY 1.899 -16.720 0.047 198 LYS 0.653 -17.064 3.631 199 LEU 3.759 -15.488 5.144 200 PHE 3.134 -12.161 3.361 201 GLU -0.515 -12.283 4.452 202 ASP 0.562 -12.800 8.079 203 ILE 3.109 -9.943 8.009 204 GLY 1.011 -7.429 6.080 205 LEU 3.399 -7.060 3.149 206 PRO 2.515 -7.755 -0.510 207 PRO 3.940 -10.786 -2.382 208 ILE 7.613 -10.680 -3.413 209 ASN 8.622 -9.079 -6.735 210 PRO 12.093 -8.563 -8.341 211 GLN 11.735 -4.791 -8.264 212 ASP 10.956 -4.038 -4.615 213 ASP 12.375 -7.092 -2.883 214 ARG 15.842 -8.261 -1.923 215 ALA 16.817 -11.259 0.154 216 MET 19.677 -13.036 1.929 217 ILE 19.553 -16.784 2.594 218 CYS 21.583 -18.769 5.130 219 GLY 20.637 -22.307 6.095 220 SER 21.281 -25.984 5.369 221 PRO 22.384 -26.788 1.772 222 SER 18.959 -28.360 1.137 223 MET 17.070 -25.393 2.580 224 LEU 19.010 -23.212 0.126 225 ASP 18.013 -25.185 -2.993 226 GLU 14.427 -25.089 -1.755 227 SER 14.620 -21.344 -1.008 228 CYS 16.143 -20.502 -4.394 229 GLU 13.358 -22.486 -6.063 230 VAL 10.783 -20.401 -4.161 231 LEU 12.433 -17.034 -4.909 232 ASP 13.036 -17.846 -8.593 233 GLY 9.289 -18.487 -8.767 234 PHE 8.548 -14.867 -7.838 235 GLY 10.981 -13.817 -10.561 236 LEU 14.037 -12.805 -8.466 237 LYS 17.534 -13.162 -9.925 238 ILE 20.432 -14.404 -7.795 239 SER 23.759 -12.552 -7.783 240 PRO 26.114 -14.427 -10.216 241 ARG 29.281 -14.080 -8.108 242 MET 30.704 -12.472 -4.955 243 GLY 31.163 -8.819 -5.882 244 GLU 28.403 -8.776 -8.483 245 PRO 25.055 -7.318 -7.289 246 GLY 21.773 -9.236 -7.628 247 ASP 18.238 -9.598 -6.189 248 TYR 19.354 -12.049 -3.516 249 LEU 22.379 -13.691 -1.872 250 ILE 22.888 -17.210 -0.479 251 GLU 25.439 -18.851 1.820 252 ARG 25.550 -22.221 3.549 253 ALA 25.198 -22.222 7.360 254 PHE 27.189 -25.463 7.399 255 VAL 28.366 -28.212 5.080 256 GLU 27.311 -31.797 4.612 257 LYS 30.409 -33.832 5.433 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 C S S S S S S S S S/S 10 S S S S S/T T T T/S S S 20 S/S S S S S S S S S S 30 S S S S S S S S S S 40 S S/T T T T/S S S S S S 50 S S S/S S S S C C C C 60 S S S S S S S S S S 70 S C C/P C H H H H H H 80 3 3 C C S S S S S S 90 S S S/S S S S S S S S 100 C S S S S/S S S S/S S S 110 S S S S/T T T T H H H 120 H H 3 3 C C H H H H 130 H H H H S S S S S S 140 S S S S T T T T C C 150 H H H H H H H/T T T T 160 C C C C H H H H H H 170 H H/S S S S S S S S S 180 S S S S S/S S S S S/H H 190 H H H H H H H/H H H H 200 H H H H/S S S S C T T 210 T T/S S S S/S S S S S S/H 220 H H H H H H H H H H 230 H H H H H/S S S S S C 240 T T T T/S S S S S S S 250 S S S/S S S S S 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 10 E E E E E T e E E E 20 E E E E e t T T t 30 t T T e E E E E E 40 E E E T T E E E E E 50 E E E e S t T T t 60 e E E E E E E E e 70 S S S h H H H H h 80 T t t T T e E E E E 90 E e B S g G 100 G G B e E E E 110 E E E E e T T h H H 120 H H H H h T h H H H 130 H H H h S E E E E E 140 E E E S g G G G g T 150 h H H H H H h g G G 160 G g T T h H H H H H 170 H H E E E E E E E e 180 S S S S B S h H 190 H H H H H h h H H H 200 H H H h t t T 210 T e E E E E E E E h 220 H H H H H H H H H H 230 H H H h T t B S 240 t T T t B e E E E 250 E E e S Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 SER 12.5 14.9 85.9 2 ASN 19.1 15.8 81.4 3 LEU 112.1 75.8 54.4 4 ASN 110.5 91.4 63.9 5 VAL 51.4 43.3 73.5 6 GLU 132.2 95.4 52.3 7 ARG 75.2 36.0 67.8 8 VAL 118.8 100.0 40.1 9 LEU 94.9 64.2 64.2 10 SER 38.9 46.5 59.4 11 VAL 91.3 76.8 56.3 12 HIS 54.9 36.6 65.2 13 HIS 87.9 58.5 65.6 14 TRP 158.3 77.2 55.1 15 ASN 102.5 84.8 67.6 16 ASP 11.5 10.4 79.1 17 THR 60.1 56.2 71.7 18 LEU 140.9 95.3 43.3 19 PHE 166.1 99.6 45.2 20 SER 79.9 95.6 55.1 21 PHE 165.0 98.9 24.8 22 LYS 83.7 48.3 71.8 23 THR 106.9 100.0 37.1 24 THR 73.2 68.4 61.7 25 ARG 188.6 90.3 55.6 26 ASN 65.2 53.9 66.7 27 PRO 18.8 15.1 86.4 28 SER 38.1 45.6 77.9 29 LEU 147.5 99.8 46.2 30 ARG 32.2 15.4 87.6 31 PHE 161.4 96.8 53.2 32 GLU 43.2 31.2 75.4 33 ASN 116.1 96.0 58.1 34 GLY 34.8 100.0 63.6 35 GLN 117.6 79.1 57.9 36 PHE 127.1 76.2 54.2 37 VAL 116.8 98.3 40.2 38 MET 81.8 51.3 56.5 39 ILE 143.5 100.0 24.4 40 GLY 34.8 100.0 42.1 41 LEU 120.5 81.5 44.3 42 GLU 61.6 44.4 64.8 43 VAL 91.3 76.9 61.8 44 ASP 0.0 0.0 89.2 45 GLY 3.7 10.5 83.6 46 ARG 26.2 12.5 86.0 47 PRO 92.3 74.1 51.3 48 LEU 126.7 85.7 54.0 49 MET 128.3 80.5 50.9 50 ARG 132.9 63.6 61.1 51 ALA 35.6 49.1 56.6 52 TYR 155.2 85.8 46.5 53 SER 72.9 87.2 52.3 54 ILE 143.5 100.0 41.6 55 ALA 72.5 99.9 53.2 56 SER 82.3 98.4 53.6 57 PRO 123.1 98.9 57.2 58 ASN 87.1 72.0 70.1 59 TYR 89.7 49.6 67.5 60 GLU 88.6 63.9 65.1 61 GLU 0.6 0.5 89.4 62 HIS 105.5 70.3 59.9 63 LEU 147.7 99.9 36.9 64 GLU 111.7 80.6 49.7 65 PHE 166.8 100.0 31.9 66 PHE 166.4 99.8 41.4 67 SER 83.0 99.3 45.0 68 ILE 74.7 52.1 60.4 69 LYS 158.0 91.1 57.0 70 VAL 54.1 45.5 75.8 71 GLN 0.0 0.0 89.4 72 ASN 11.3 9.3 76.2 73 GLY 34.5 99.2 70.8 74 PRO 63.4 50.9 78.7 75 LEU 144.7 97.9 37.5 76 THR 96.4 90.2 54.6 77 SER 58.3 69.7 69.2 78 ARG 102.0 48.8 63.0 79 LEU 147.8 100.0 29.8 80 GLN 98.2 66.1 56.3 81 HIS 34.7 23.1 84.9 82 LEU 141.8 96.0 37.3 83 LYS 35.6 20.5 86.6 84 GLU 31.4 22.7 78.3 85 GLY 8.1 23.4 77.3 86 ASP 65.8 59.5 62.1 87 GLU 40.6 29.3 73.3 88 LEU 146.5 99.1 31.5 89 MET 128.5 80.6 45.4 90 VAL 118.7 99.9 39.2 91 SER 65.7 78.5 52.5 92 ARG 120.2 57.5 78.1 93 LYS 12.6 7.3 82.7 94 PRO 114.7 92.1 49.9 95 THR 50.3 47.0 63.1 96 GLY 32.8 94.2 53.0 97 THR 68.7 64.2 57.1 98 LEU 147.8 100.0 43.5 99 VAL 105.5 88.8 63.4 100 THR 95.3 89.1 48.8 101 SER 14.8 17.7 78.7 102 ASP 99.9 90.4 55.3 103 LEU 147.8 100.0 45.7 104 LEU 85.3 57.7 65.8 105 PRO 23.8 19.1 81.5 106 GLY 26.9 77.2 63.7 107 LYS 90.6 52.3 71.1 108 HIS 132.2 88.0 44.8 109 LEU 147.8 100.0 27.0 110 TYR 180.5 99.7 29.7 111 MET 159.4 100.0 28.8 112 LEU 146.3 99.0 29.2 113 SER 83.6 100.0 46.8 114 THR 80.6 75.4 54.4 115 GLY 8.3 23.7 69.6 116 THR 87.8 82.2 50.5 117 GLY 34.3 98.4 53.7 118 LEU 147.6 99.9 34.8 119 ALA 67.2 92.6 51.4 120 PRO 123.4 99.1 50.3 121 PHE 166.8 100.0 37.3 122 MET 156.9 98.4 34.9 123 SER 83.6 100.0 63.4 124 LEU 146.6 99.2 42.2 125 ILE 143.5 100.0 29.5 126 GLN 129.0 86.8 42.8 127 ASP 93.6 84.7 54.0 128 PRO 73.3 58.9 61.9 129 GLU 61.8 44.6 75.2 130 VAL 118.8 100.0 35.3 131 TYR 175.2 96.8 37.9 132 GLU 30.9 22.3 77.1 133 ARG 144.5 69.2 60.7 134 PHE 165.9 99.4 51.0 135 GLU 50.7 36.5 70.9 136 LYS 108.6 62.6 55.1 137 VAL 118.8 100.0 35.3 138 VAL 118.8 100.0 32.5 139 LEU 147.8 100.0 29.2 140 ILE 143.5 100.0 33.3 141 HIS 149.4 99.5 49.3 142 GLY 32.3 92.9 59.8 143 VAL 110.9 93.4 55.5 144 ARG 88.5 42.4 72.2 145 GLN 90.6 61.0 72.4 146 VAL 56.8 47.8 62.0 147 ASN 47.2 39.1 75.9 148 GLU 113.7 82.0 64.0 149 LEU 145.0 98.1 49.7 150 ALA 70.6 97.2 36.7 151 TYR 168.1 92.9 33.4 152 GLN 87.5 58.9 62.8 153 GLN 36.0 24.2 77.6 154 PHE 112.5 67.5 54.2 155 ILE 142.4 99.3 30.3 156 THR 44.0 41.2 70.2 157 GLU 45.9 33.1 72.4 158 HIS 44.3 29.5 63.2 159 LEU 143.8 97.3 37.0 160 PRO 101.6 81.6 58.3 161 GLN 45.5 30.6 78.3 162 SER 63.6 76.1 61.2 163 GLU 12.1 8.8 85.2 164 TYR 20.1 11.1 86.4 165 PHE 140.2 84.0 50.7 166 GLY 33.9 97.4 66.5 167 GLU 1.3 0.9 84.4 168 ALA 51.3 70.7 48.2 169 VAL 116.3 97.9 42.4 170 LYS 66.8 38.5 79.4 171 GLU 31.1 22.4 75.9 172 LYS 129.7 74.8 64.5 173 LEU 143.6 97.2 42.0 174 ILE 107.3 74.8 48.4 175 TYR 162.8 90.0 47.2 176 TYR 169.6 93.7 38.7 177 PRO 115.2 92.5 51.8 178 THR 106.4 99.5 43.8 179 VAL 118.8 100.0 46.2 180 THR 75.4 70.5 54.6 181 ARG 66.4 31.8 80.0 182 GLU 68.8 49.6 68.2 183 SER 0.0 0.0 87.6 184 PHE 144.0 86.4 53.7 185 HIS 29.9 19.9 75.1 186 ASN 102.4 84.7 51.1 187 GLN 77.8 52.4 77.2 188 GLY 12.1 34.8 71.6 189 ARG 79.8 38.2 81.1 190 LEU 141.6 95.8 34.1 191 THR 100.7 94.2 52.8 192 ASP 55.7 50.4 79.9 193 LEU 129.6 87.7 54.8 194 MET 158.0 99.1 25.3 195 ARG 123.4 59.1 75.9 196 SER 26.8 32.1 76.9 197 GLY 18.7 53.7 70.5 198 LYS 76.9 44.4 78.7 199 LEU 147.8 100.0 27.4 200 PHE 161.9 97.1 42.0 201 GLU 18.5 13.3 84.1 202 ASP 80.2 72.6 71.8 203 ILE 134.3 93.6 36.3 204 GLY 0.0 0.0 82.4 205 LEU 132.6 89.7 44.2 206 PRO 44.1 35.4 66.5 207 PRO 39.1 31.4 63.5 208 ILE 142.8 99.5 29.1 209 ASN 73.2 60.5 65.3 210 PRO 77.4 62.2 69.6 211 GLN 17.4 11.7 89.8 212 ASP 64.4 58.2 67.7 213 ASP 107.7 97.5 56.1 214 ARG 198.3 94.9 54.3 215 ALA 71.9 99.0 33.7 216 MET 159.4 100.0 31.8 217 ILE 143.5 100.0 33.8 218 CYS 97.5 98.2 43.9 219 GLY 34.8 100.0 54.9 220 SER 55.3 66.1 55.9 221 PRO 94.5 75.9 51.5 222 SER 9.8 11.8 83.0 223 MET 140.1 87.9 54.4 224 LEU 139.5 94.4 45.8 225 ASP 13.5 12.2 80.0 226 GLU 94.7 68.4 74.4 227 SER 82.0 98.1 39.0 228 CYS 76.0 76.6 54.4 229 GLU 49.5 35.7 77.9 230 VAL 114.8 96.7 52.8 231 LEU 147.4 99.7 27.4 232 ASP 47.1 42.6 79.3 233 GLY 1.0 2.7 84.9 234 PHE 126.8 76.0 55.1 235 GLY 7.1 20.3 73.8 236 LEU 147.6 99.9 40.8 237 LYS 75.7 43.7 71.2 238 ILE 83.1 57.9 60.2 239 SER 78.2 93.5 58.1 240 PRO 68.1 54.7 67.9 241 ARG 30.8 14.7 86.1 242 MET 73.1 45.8 76.3 243 GLY 3.4 9.8 82.2 244 GLU 58.3 42.0 64.2 245 PRO 78.1 62.7 67.9 246 GLY 34.8 100.0 60.1 247 ASP 100.6 91.0 46.9 248 TYR 179.4 99.1 37.8 249 LEU 141.5 95.7 48.8 250 ILE 98.2 68.4 42.4 251 GLU 114.4 82.6 54.9 252 ARG 96.0 46.0 61.5 253 ALA 66.5 91.6 58.7 254 PHE 57.2 34.3 70.7 255 VAL 69.9 58.9 66.3 256 GLU 14.7 10.6 73.0 257 LYS 49.6 28.6 82.7