Protein Data Bank File : 1oaa Title : OXIDOREDUCTASE 25-AUG-97 1OAA Number of Amino Acid Residues : 259 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 ALA ASP GLY LEU GLY CYS ALA VAL CYS VAL 10 LEU THR GLY ALA SER ARG GLY PHE GLY ARG 20 ALA LEU ALA PRO GLN LEU ALA ARG LEU LEU 30 SER PRO GLY SER VAL MET LEU VAL SER ALA 40 ARG SER GLU SER MET LEU ARG GLN LEU LYS 50 GLU GLU LEU GLY ALA GLN GLN PRO ASP LEU 60 LYS VAL VAL LEU ALA ALA ALA ASP LEU GLY 70 THR GLU ALA GLY VAL GLN ARG LEU LEU SER 80 ALA VAL ARG GLU LEU PRO ARG PRO GLU GLY 90 LEU GLN ARG LEU LEU LEU ILE ASN ASN ALA 100 ALA THR LEU GLY ASP VAL SER LYS GLY PHE 110 LEU ASN VAL ASN ASP LEU ALA GLU VAL ASN 120 ASN TYR TRP ALA LEU ASN LEU THR SER MET 130 LEU CYS LEU THR SER GLY THR LEU ASN ALA 140 PHE GLN ASP SER PRO GLY LEU SER LYS THR 150 VAL VAL ASN ILE SER SER LEU CYS ALA LEU 160 GLN PRO TYR LYS GLY TRP GLY LEU TYR CYS 170 ALA GLY LYS ALA ALA ARG ASP MET LEU TYR 180 GLN VAL LEU ALA ALA GLU GLU PRO SER VAL 190 ARG VAL LEU SER TYR ALA PRO GLY PRO LEU 200 ASP ASN ASP MET GLN GLN LEU ALA ARG GLU 210 THR SER LYS ASP PRO GLU LEU ARG SER LYS 220 LEU GLN LYS LEU LYS SER ASP GLY ALA LEU 230 VAL ASP CYS GLY THR SER ALA GLN LYS LEU 240 LEU GLY LEU LEU GLN LYS ASP THR PHE GLN 250 SER GLY ALA HIS VAL ASP PHE TYR ASP Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 ALA 0.0 -160.9 178.6 2 ASP 80.1 28.3 177.6 -57.6 -53.6 3 GLY 91.1 -178.9 -176.6 4 LEU -120.1 9.3 177.7 -65.1 169.6 5 GLY 70.3 -162.0 -179.7 6 CYS -82.3 116.9 -173.8 179.8 7 ALA -139.8 159.9 171.7 8 VAL -113.5 116.1 -179.7 165.3 9 CYS -113.4 138.1 177.9 -59.6 10 VAL -123.8 121.5 -178.7 -178.6 11 LEU -127.1 124.0 176.7 172.7 63.5 12 THR -97.4 165.3 -178.9 63.6 13 GLY 57.1 40.4 -178.4 14 ALA -81.5 -13.0 -177.0 15 SER -74.9 -33.8 -177.3 53.3 16 ARG -141.5 175.0 175.3 -49.8 -179.2 -85.8 111.4 17 GLY 52.3 -134.5 -177.4 18 PHE -58.6 -48.4 -178.6 -174.0 76.6 19 GLY -59.5 -41.8 -179.3 20 ARG -65.4 -41.8 178.9 -177.5 58.6 179.5 -96.4 21 ALA -68.4 -36.4 -177.9 22 LEU -69.9 -39.2 -176.7 173.4 71.7 23 ALA -46.8 -57.6 -180.0 24 PRO -63.4 -34.9 -180.0 25.3 -40.5 25 GLN -66.4 -40.9 179.2 -67.9 -163.4 38.3 26 LEU -63.9 -47.2 -179.0 176.7 54.5 27 ALA -53.6 -42.1 179.7 28 ARG -60.3 -22.1 -177.2 -110.7 173.3 66.3 116.5 29 LEU -94.7 -4.7 -177.8 -58.7 174.5 30 LEU -89.8 147.7 179.3 -49.9 -171.3 31 SER -84.7 163.7 179.2 -66.5 32 PRO -55.0 141.8 -179.3 -35.3 43.5 33 GLY 92.3 -9.2 179.4 34 SER -67.9 162.3 178.7 -63.1 35 VAL -130.7 138.6 177.2 -178.3 36 MET -126.5 120.5 178.4 -177.5 172.9 -31.5 37 LEU -102.9 115.2 -179.1 167.0 57.1 38 VAL -108.9 139.2 -176.8 -65.8 39 SER -141.0 149.2 -178.9 -164.1 40 ALA 179.1 176.9 179.9 41 ARG -81.9 -33.5 -178.0 -77.6 170.8 -53.5 179.6 42 SER -76.5 99.3 177.5 178.6 43 GLU -63.3 -39.0 178.7 173.9 78.7 8.2 44 SER -62.4 -42.3 -179.8 -69.5 45 MET -69.5 -36.6 178.1 -63.6 -72.1 -87.8 46 LEU -64.5 -41.6 178.2 -73.5 175.9 47 ARG -62.8 -39.4 177.9 -63.1 -152.4 -116.3 -104.4 48 GLN -65.7 -42.1 177.9 -65.3 175.3 16.2 49 LEU -59.5 -47.4 -179.4 172.2 55.9 50 LYS -59.1 -42.0 177.5 176.8 172.2 172.2 157.7 51 GLU -60.8 -43.4 179.6 -62.5 -177.6 -44.7 52 GLU -63.5 -44.1 178.5 -67.5 165.8 1.0 53 LEU -65.0 -35.2 179.1 -69.3 176.1 54 GLY -63.2 -40.5 177.9 55 ALA -73.0 -42.0 -178.5 56 GLN -70.4 -44.0 -177.3 -59.0 163.0 -167.1 57 GLN -134.9 80.8 -179.2 -44.1 -74.3 151.2 58 PRO -55.4 -26.1 -176.8 -20.2 36.7 59 ASP -104.4 21.6 177.1 -54.8 -51.3 60 LEU -102.5 126.1 178.6 164.8 65.5 61 LYS -80.2 127.9 179.8 -169.1 -147.9 -178.6 -171.5 62 VAL -120.7 126.6 179.5 175.3 63 VAL -116.8 143.3 -179.2 177.9 64 LEU -115.3 141.2 173.8 -50.0 -178.5 65 ALA -136.9 110.2 179.0 66 ALA -89.0 123.5 -177.7 67 ALA -159.1 146.9 178.1 68 ASP -97.1 107.4 -177.9 -179.0 -13.4 69 LEU -73.6 -0.2 176.1 -63.4 176.9 70 GLY -84.7 -9.2 179.7 71 THR -116.2 153.9 178.1 73.8 72 GLU -61.0 -41.7 179.8 -67.0 -155.5 30.4 73 ALA -61.4 -40.4 -179.4 74 GLY -64.7 -45.4 -179.6 75 VAL -64.8 -41.9 -179.2 174.6 76 GLN -65.8 -35.6 178.6 -74.1 -46.0 -30.1 77 ARG -65.2 -42.7 179.7 177.5 178.2 -39.2 120.7 78 LEU -66.5 -42.2 178.5 -179.0 50.6 79 LEU -62.0 -41.3 176.4 -86.0 175.4 80 SER -58.4 -46.7 179.4 -72.3 81 ALA -59.5 -39.9 179.1 82 VAL -60.9 -46.7 -179.5 171.9 83 ARG -67.3 -27.1 179.6 -64.6 -179.4 -174.7 118.2 84 GLU -86.0 -6.1 -179.4 -96.9 92.6 -81.5 85 LEU -61.8 143.0 179.3 -70.3 178.9 86 PRO -72.8 125.0 177.6 -25.3 42.2 87 ARG -81.1 115.4 179.8 -169.9 -137.5 -177.3 67.4 88 PRO -58.9 157.7 179.7 -30.0 43.7 89 GLU -46.3 -75.5 -178.0 47.5 177.4 85.4 90 GLY -103.9 60.8 -179.0 91 LEU -54.0 121.3 179.6 -172.1 58.8 92 GLN -108.4 -23.9 -173.1 -60.8 173.2 110.1 93 ARG -148.4 138.6 174.2 157.8 -167.1 -52.7 -75.9 94 LEU -113.6 125.6 -179.8 172.3 63.7 95 LEU -134.0 121.8 177.7 173.1 62.8 96 LEU -116.9 126.3 178.2 167.1 65.4 97 ILE -116.9 107.3 -179.2 -60.4 175.5 98 ASN -88.5 92.7 -176.6 -71.6 115.8 99 ASN -106.3 -37.6 -178.7 168.2 74.2 100 ALA -54.6 138.2 179.4 101 ALA -172.3 167.8 177.6 102 THR -134.1 153.2 179.8 52.9 103 LEU -79.3 -28.3 -175.3 -171.4 66.4 104 GLY 83.0 171.9 178.7 105 ASP -76.3 112.5 -178.6 -178.7 -6.4 106 VAL -105.3 15.1 -178.2 -66.7 107 SER -93.5 -6.9 -174.8 70.0 108 LYS -115.9 -20.2 -178.7 54.8 156.8 -164.1 -169.5 109 GLY 94.3 157.6 -178.3 110 PHE -54.8 -42.0 -177.5 -168.4 -79.4 111 LEU -64.8 -18.9 178.4 -65.0 -179.5 112 ASN -97.3 9.7 177.8 -70.2 -45.5 113 VAL -91.7 93.0 -176.5 179.8 114 ASN -129.3 -1.6 -179.1 -51.7 113.2 115 ASP -91.7 104.5 -178.5 -172.5 -33.4 116 LEU -58.9 -45.5 -179.9 -57.5 175.7 117 ALA -62.6 -39.1 179.2 118 GLU -61.6 -43.6 -179.3 176.2 171.6 -10.0 119 VAL -67.4 -47.4 178.9 174.9 120 ASN -60.7 -39.6 179.4 -72.9 142.5 121 ASN -66.1 -36.9 179.5 -70.5 -8.4 122 TYR -59.5 -46.7 178.9 -171.7 85.4 123 TRP -66.2 -41.4 -179.2 -51.0 132.5 124 ALA -56.4 -43.5 -179.8 125 LEU -76.3 -47.7 -173.6 169.5 56.5 126 ASN -84.0 -22.2 -179.5 -66.7 94.0 127 LEU -116.7 -58.1 -174.7 -60.7 -174.9 128 THR -59.7 -46.2 -177.9 -55.2 129 SER -62.6 -46.1 -178.3 73.1 130 MET -67.6 -34.9 179.2 73.7 90.5 68.1 131 LEU -65.5 -56.1 -178.0 -166.6 178.1 132 CYS -68.2 -25.8 175.8 -62.1 133 LEU -72.0 -33.9 -179.4 -79.9 174.4 134 THR -68.3 -53.2 179.5 -62.7 135 SER -63.6 -44.9 -178.3 54.9 136 GLY -63.7 -38.7 -179.2 137 THR -71.5 -43.6 179.0 -64.8 138 LEU -61.8 -42.7 -179.6 -73.5 171.8 139 ASN -67.8 -25.2 -178.5 -70.4 159.8 140 ALA -69.3 -16.7 -179.1 141 PHE -118.8 126.1 178.2 -69.0 75.3 142 GLN -63.9 140.9 177.3 -71.6 -170.1 0.8 143 ASP -68.3 154.5 176.2 -56.8 -38.9 144 SER -167.2 142.6 -179.6 78.9 145 PRO -43.8 -36.1 -179.2 -32.6 43.7 146 GLY -93.8 3.3 179.6 147 LEU -111.0 111.5 177.2 178.0 62.2 148 SER -89.8 140.9 -180.0 72.7 149 LYS -120.6 122.6 -179.1 -59.4 -175.2 177.5 -172.2 150 THR -128.2 135.0 178.8 -59.4 151 VAL -128.5 135.8 -176.9 -60.6 152 VAL -124.9 133.6 177.9 -175.7 153 ASN -107.3 111.9 177.4 155.6 -142.1 154 ILE -77.7 114.2 -173.3 -56.7 -59.8 155 SER -105.7 -152.1 -178.9 -174.8 156 SER -168.3 157.0 173.3 171.9 157 LEU -60.5 -22.9 179.4 171.7 58.2 158 CYS -66.1 -17.2 175.7 -60.5 159 ALA -66.8 -28.2 -173.7 160 LEU -103.4 -25.6 -175.7 -49.9 179.5 161 GLN -133.1 139.9 179.1 -78.2 -178.7 5.2 162 PRO -77.0 143.1 175.7 30.0 -41.9 163 TYR -122.8 127.9 -179.1 -82.0 55.8 164 LYS -58.4 130.2 179.3 -67.2 -173.0 -166.3 174.1 165 GLY 85.0 -7.6 -177.1 166 TRP -110.7 42.2 -177.3 -60.1 18.0 167 GLY -56.5 -53.1 -178.9 168 LEU -60.1 -46.5 -177.0 -68.1 -176.1 169 TYR -62.8 -51.4 -178.8 -175.3 73.9 170 CYS -59.7 -49.4 -178.2 -69.7 171 ALA -59.4 -43.1 179.1 172 GLY -61.8 -44.0 179.9 173 LYS -66.2 -40.7 178.7 -69.2 -51.3 -168.0 -169.6 174 ALA -60.6 -43.2 179.9 175 ALA -64.8 -43.0 179.8 176 ARG -59.9 -47.6 179.9 -71.8 161.2 62.1 105.4 177 ASP -59.2 -41.4 -178.5 -85.4 25.1 178 MET -69.4 -40.5 176.5 177.2 58.7 81.8 179 LEU -55.8 -43.3 -179.5 -79.6 177.1 180 TYR -72.0 -31.4 176.6 -90.5 28.6 181 GLN -65.1 -39.4 -178.1 -80.7 -149.6 75.6 182 VAL -67.6 -46.7 179.2 169.7 183 LEU -58.2 -46.4 -178.2 171.0 60.3 184 ALA -57.6 -42.0 -179.2 185 ALA -68.6 -37.5 -178.6 186 GLU -74.8 -32.7 -172.7 -67.9 -178.0 30.7 187 GLU -126.1 78.3 -179.7 -59.6 -58.2 -27.4 188 PRO -60.6 -14.6 179.3 22.0 -36.0 189 SER -88.3 -7.0 179.0 64.5 190 VAL -100.0 134.2 179.0 176.3 191 ARG -90.2 116.7 -176.1 -59.2 -71.5 -70.7 139.1 192 VAL -116.6 131.0 -179.8 -179.1 193 LEU -139.5 133.5 172.7 175.7 62.7 194 SER -107.7 116.0 -176.9 -73.5 195 TYR -114.6 122.8 178.5 173.5 70.4 196 ALA -96.2 116.9 -177.1 197 PRO -76.7 -2.3 -176.7 36.7 -40.0 198 GLY 90.5 171.4 -179.6 199 PRO -79.5 98.5 -177.2 35.0 -39.6 200 LEU -76.1 145.6 177.4 -52.3 178.1 201 ASP -87.8 82.8 -179.4 -169.9 -4.5 202 ASN -149.2 -168.5 -177.5 70.2 10.7 203 ASP -63.8 -39.4 -179.8 -86.6 17.9 204 MET -68.2 -39.0 178.7 -176.6 -174.3 -81.6 205 GLN -63.6 -44.7 179.9 178.8 69.9 -141.0 206 GLN -61.9 -44.4 179.3 176.2 -172.7 51.4 207 LEU -56.7 -45.4 179.3 177.9 64.8 208 ALA -65.4 -46.0 -178.1 209 ARG -61.4 -35.3 -176.5 176.8 173.9 62.7 -115.3 210 GLU -93.3 -27.6 -175.7 -60.8 -174.8 -11.2 211 THR -111.6 -8.6 178.6 70.3 212 SER -57.7 134.6 -179.8 -71.5 213 LYS -65.2 -39.1 -176.3 -176.4 178.0 -174.5 171.9 214 ASP -71.7 121.8 179.9 -170.8 64.6 215 PRO -63.2 -36.0 179.1 21.8 -36.1 216 GLU -70.4 -35.6 177.0 -75.6 177.1 16.1 217 LEU -66.3 -51.4 177.5 179.5 48.4 218 ARG -54.1 -41.5 -179.3 -75.0 -157.9 -45.8 -76.5 219 SER -61.7 -43.4 177.9 177.4 220 LYS -62.0 -42.1 -179.0 -81.7 170.7 -171.5 175.5 221 LEU -66.9 -41.8 177.2 -62.0 -175.8 222 GLN -58.4 -43.5 -179.4 -71.0 160.5 11.1 223 LYS -65.1 -38.7 177.9 -178.9 166.7 -166.4 -74.9 224 LEU -56.7 -46.7 179.9 -77.6 -179.7 225 LYS -65.0 -52.4 -178.1 172.3 160.7 -175.2 -179.5 226 SER -62.7 -33.7 -179.9 64.4 227 ASP -81.4 0.1 -178.5 -68.3 4.2 228 GLY 64.9 27.6 -179.8 229 ALA -92.0 -1.3 177.5 230 LEU -69.2 155.7 -178.5 -67.6 175.9 231 VAL -100.2 131.4 177.9 177.8 232 ASP -66.4 135.7 -179.7 172.9 77.2 233 CYS -54.7 -39.6 -179.7 -67.7 234 GLY -63.9 -40.2 179.2 235 THR -61.4 -46.4 179.8 -58.6 236 SER -67.8 -39.0 177.1 -179.0 237 ALA -59.2 -39.7 179.9 238 GLN -65.5 -35.4 178.7 175.9 -176.5 61.7 239 LYS -65.3 -47.3 -179.8 -171.8 60.4 128.5 69.7 240 LEU -59.9 -46.2 -179.2 168.5 59.1 241 LEU -62.3 -33.9 177.5 -66.9 169.8 242 GLY -62.6 -46.3 178.6 243 LEU -59.5 -42.4 -179.9 -67.5 173.7 244 LEU -67.8 -38.8 178.5 -63.9 177.9 245 GLN -69.4 -45.2 179.3 -71.5 176.8 89.4 246 LYS -65.1 -39.9 176.7 -61.3 176.8 -54.7 88.3 247 ASP 56.9 43.9 178.0 -161.4 26.2 248 THR -116.6 3.0 179.5 58.5 249 PHE -67.8 155.4 176.6 58.5 85.2 250 GLN -78.0 129.8 179.6 163.9 60.1 46.8 251 SER -63.0 128.4 -179.4 -165.4 252 GLY 92.9 -8.2 -177.4 253 ALA -73.3 157.4 175.9 254 HIS -103.4 120.1 179.5 172.6 109.5 255 VAL -123.6 130.2 -179.4 -180.0 256 ASP -100.7 150.3 176.7 -168.3 85.5 257 PHE -47.6 -41.3 -178.1 172.8 77.4 258 TYR -83.1 -2.2 -179.3 -65.9 -70.8 259 ASP -68.0 152.8 0.0 -72.8 -13.5 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 ALA -13.329 65.673 -1.329 2 ASP -14.841 63.800 -4.332 3 GLY -14.648 60.187 -3.182 4 LEU -11.750 57.886 -2.489 5 GLY -11.040 56.464 -5.911 6 CYS -10.239 52.900 -6.822 7 ALA -9.277 51.346 -3.498 8 VAL -8.594 48.266 -1.411 9 CYS -10.156 48.902 2.049 10 VAL -9.705 46.710 5.146 11 LEU -12.117 47.370 8.028 12 THR -12.191 45.619 11.430 13 GLY -15.150 45.686 13.871 14 ALA -17.448 45.805 10.851 15 SER -20.388 43.891 12.378 16 ARG -21.701 46.492 14.806 17 GLY -21.426 50.047 16.011 18 PHE -19.059 52.481 14.386 19 GLY -17.536 50.001 11.926 20 ARG -20.994 48.807 10.812 21 ALA -22.223 52.372 10.235 22 LEU -19.012 53.279 8.409 23 ALA -19.024 50.338 5.959 24 PRO -21.898 51.407 3.666 25 GLN -20.763 55.052 3.709 26 LEU -17.242 54.051 2.757 27 ALA -18.552 51.763 -0.031 28 ARG -20.431 54.704 -1.538 29 LEU -17.113 56.589 -1.962 30 LEU -15.214 53.884 -3.855 31 SER -14.727 53.706 -7.637 32 PRO -15.621 50.721 -9.830 33 GLY -13.170 47.888 -9.294 34 SER -12.613 48.598 -5.577 35 VAL -12.410 45.855 -2.946 36 MET -13.585 46.001 0.693 37 LEU -12.413 43.370 3.202 38 VAL -14.686 43.402 6.329 39 SER -13.807 41.582 9.546 40 ALA -15.274 40.814 12.991 41 ARG -15.985 37.621 14.917 42 SER -19.613 37.406 13.860 43 GLU -19.774 35.678 10.461 44 SER -23.593 36.016 10.275 45 MET -23.490 39.733 10.836 46 LEU -20.648 40.098 8.329 47 ARG -22.811 38.126 5.828 48 GLN -25.783 40.416 6.424 49 LEU -23.534 43.438 5.917 50 LYS -22.209 41.875 2.665 51 GLU -25.764 41.237 1.408 52 GLU -26.614 44.834 2.118 53 LEU -23.486 46.149 0.357 54 GLY -24.282 43.756 -2.537 55 ALA -27.695 45.363 -2.939 56 GLN -26.373 48.917 -2.444 57 GLN -23.213 48.604 -4.590 58 PRO -23.533 45.501 -6.807 59 ASP -20.112 46.068 -8.364 60 LEU -18.004 46.463 -5.231 61 LYS -16.200 43.276 -4.410 62 VAL -16.725 42.490 -0.703 63 VAL -14.679 39.832 1.099 64 LEU -15.412 38.646 4.683 65 ALA -12.954 37.333 7.205 66 ALA -14.444 36.167 10.549 67 ALA -11.664 36.285 13.154 68 ASP -11.023 36.850 16.839 69 LEU -8.281 39.474 16.827 70 GLY -7.455 38.565 20.445 71 THR -5.799 35.364 19.174 72 GLU -2.749 34.739 16.980 73 ALA -4.836 32.549 14.648 74 GLY -7.429 35.257 14.202 75 VAL -4.858 37.892 13.309 76 GLN -3.107 35.470 10.970 77 ARG -6.383 34.576 9.250 78 LEU -7.140 38.258 8.637 79 LEU -3.588 38.905 7.382 80 SER -3.946 35.940 4.987 81 ALA -7.183 37.389 3.666 82 VAL -5.453 40.766 3.136 83 ARG -2.671 39.102 1.131 84 GLU -5.158 37.091 -0.910 85 LEU -7.140 40.155 -1.948 86 PRO -7.445 40.839 -5.735 87 ARG -5.485 43.953 -6.732 88 PRO -7.858 46.175 -8.776 89 GLU -6.866 47.488 -12.195 90 GLY -5.958 51.112 -11.576 91 LEU -5.500 50.840 -7.817 92 GLN -5.083 54.312 -6.374 93 ARG -5.529 53.700 -2.656 94 LEU -4.944 51.276 0.223 95 LEU -6.981 52.137 3.356 96 LEU -6.879 50.218 6.647 97 ILE -9.257 51.197 9.453 98 ASN -8.345 49.635 12.818 99 ASN -11.699 49.983 14.507 100 ALA -12.306 46.774 16.563 101 ALA -11.718 47.263 20.296 102 THR -13.212 46.482 23.709 103 LEU -13.824 48.650 26.781 104 GLY -12.685 45.949 29.207 105 ASP -14.464 45.400 32.547 106 VAL -15.025 48.920 33.877 107 SER -17.140 47.955 36.894 108 LYS -14.361 47.222 39.454 109 GLY -11.463 49.737 39.632 110 PHE -7.687 49.590 39.220 111 LEU -7.139 47.782 42.543 112 ASN -9.314 44.954 41.308 113 VAL -7.266 44.363 38.122 114 ASN -5.464 41.178 39.227 115 ASP -6.116 38.621 36.470 116 LEU -2.911 38.444 34.398 117 ALA -4.432 36.476 31.503 118 GLU -7.327 38.946 31.329 119 VAL -4.852 41.864 31.129 120 ASN -2.601 40.139 28.565 121 ASN -5.603 39.265 26.407 122 TYR -6.720 42.897 26.551 123 TRP -3.379 44.058 25.093 124 ALA -3.342 41.229 22.499 125 LEU -6.672 42.410 21.120 126 ASN -6.347 46.171 21.555 127 LEU -2.653 46.648 20.864 128 THR -0.995 43.655 19.236 129 SER -3.559 42.989 16.575 130 MET -3.780 46.581 15.391 131 LEU 0.008 47.039 15.361 132 CYS 0.684 43.812 13.389 133 LEU -2.350 44.263 11.097 134 THR -0.902 47.698 10.286 135 SER 2.632 46.565 9.471 136 GLY 1.335 43.415 7.711 137 THR -1.201 45.254 5.557 138 LEU 1.259 47.980 4.523 139 ASN 3.875 45.306 3.664 140 ALA 1.305 43.365 1.604 141 PHE 1.267 46.132 -0.994 142 GLN 4.313 47.240 -3.012 143 ASP 4.936 50.955 -2.820 144 SER 4.292 52.836 -6.082 145 PRO 3.985 56.545 -7.162 146 GLY 0.267 56.065 -7.800 147 LEU -0.619 54.165 -4.609 148 SER -1.455 56.155 -1.469 149 LYS -1.398 54.132 1.762 150 THR -3.509 55.318 4.700 151 VAL -3.909 53.682 8.119 152 VAL -6.414 54.779 10.763 153 ASN -6.459 54.098 14.482 154 ILE -9.966 54.570 15.922 155 SER -8.961 56.272 19.129 156 SER -10.689 58.102 21.996 157 LEU -10.470 61.188 24.179 158 CYS -9.437 58.468 26.746 159 ALA -6.064 58.258 24.955 160 LEU -5.424 61.772 26.305 161 GLN -7.289 62.002 29.643 162 PRO -7.711 59.403 32.426 163 TYR -11.215 58.046 33.199 164 LYS -11.784 56.411 36.579 165 GLY -12.221 52.648 36.293 166 TRP -11.094 52.574 32.627 167 GLY -7.385 51.872 33.160 168 LEU -7.021 49.248 30.463 169 TYR -9.039 51.171 27.889 170 CYS -7.302 54.513 28.463 171 ALA -3.863 52.909 28.557 172 GLY -4.641 50.955 25.366 173 LYS -5.798 54.053 23.520 174 ALA -2.713 56.036 24.700 175 ALA -0.457 53.206 23.434 176 ARG -2.278 53.011 20.065 177 ASP -1.884 56.786 19.495 178 MET 1.834 56.580 20.331 179 LEU 2.362 53.535 18.063 180 TYR 0.851 55.595 15.239 181 GLN 2.955 58.668 16.080 182 VAL 6.037 56.469 15.778 183 LEU 4.904 54.933 12.500 184 ALA 4.090 58.381 11.100 185 ALA 7.600 59.659 11.934 186 GLU 9.309 56.591 10.408 187 GLU 7.232 56.426 7.225 188 PRO 6.466 59.865 5.755 189 SER 4.902 58.376 2.624 190 VAL 2.166 56.646 4.698 191 ARG -0.824 58.759 5.814 192 VAL -1.459 57.942 9.488 193 LEU -4.498 59.138 11.458 194 SER -5.786 58.526 14.991 195 TYR -9.477 59.480 14.972 196 ALA -11.556 59.849 18.216 197 PRO -15.213 59.430 17.128 198 GLY -17.099 61.253 19.827 199 PRO -19.494 59.702 22.389 200 LEU -21.379 57.334 20.092 201 ASP -24.926 56.203 20.692 202 ASN -24.217 52.469 20.610 203 ASP -23.599 49.289 22.674 204 MET -20.140 50.224 23.972 205 GLN -21.419 53.628 25.145 206 GLN -24.360 51.908 26.872 207 LEU -22.013 49.397 28.553 208 ALA -19.856 52.262 29.954 209 ARG -22.901 54.294 30.997 210 GLU -24.443 51.389 32.917 211 THR -21.476 49.568 34.431 212 SER -18.785 52.166 35.248 213 LYS -18.113 51.977 38.977 214 ASP -17.797 55.746 39.481 215 PRO -21.170 57.429 40.124 216 GLU -20.166 60.835 38.749 217 LEU -18.817 59.261 35.550 218 ARG -22.083 57.217 35.138 219 SER -23.993 60.440 35.801 220 LYS -22.106 62.313 33.054 221 LEU -22.739 59.498 30.569 222 GLN -26.418 59.383 31.571 223 LYS -26.712 63.136 30.986 224 LEU -25.140 62.895 27.480 225 LYS -27.851 60.415 26.675 226 SER -30.777 62.237 28.287 227 ASP -29.727 65.498 26.719 228 GLY -29.588 63.870 23.275 229 ALA -25.891 64.813 23.039 230 LEU -24.704 61.349 21.980 231 VAL -23.369 61.138 18.411 232 ASP -25.020 58.929 15.802 233 CYS -22.441 56.388 14.533 234 GLY -23.292 57.340 10.930 235 THR -22.715 61.036 11.666 236 SER -19.245 60.313 13.118 237 ALA -18.427 57.890 10.261 238 GLN -19.292 60.710 7.852 239 LYS -16.872 63.021 9.716 240 LEU -14.025 60.497 9.434 241 LEU -14.689 59.962 5.717 242 GLY -14.654 63.741 5.280 243 LEU -11.215 63.853 6.874 244 LEU -10.006 61.063 4.590 245 GLN -11.388 62.736 1.438 246 LYS -9.921 66.169 2.291 247 ASP -6.616 64.543 3.230 248 THR -5.070 67.572 4.941 249 PHE -4.590 66.099 8.444 250 GLN -1.111 65.818 9.962 251 SER 0.166 62.241 9.768 252 GLY 0.204 60.722 13.274 253 ALA -2.160 63.326 14.691 254 HIS -5.052 62.632 17.022 255 VAL -8.193 64.277 15.620 256 ASP -11.513 64.301 17.470 257 PHE -15.037 64.371 16.053 258 TYR -15.548 67.732 17.698 259 ASP -12.345 69.359 16.388 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 C C S S S S S S S S 10 S S S C C C H H H H 20 H H H/H H H H H H H H 30 C C S S S S S S S S 40 S H H H H H H H H H 50 H H H H H H H C S S 60 S S S S S S S S C C 70 H H H H H H H H H H 80 H H H H H/S S S S S S 90 S S S/S S S S S S S/S S 100 S S S S S C C C T T 110 T T C C H H H H H H 120 H H H H H H H/H H H H 130 H H H H H H H H H H 140 H/S S S S S S S S S S 150 S S S S S S/H H H H 3 160 3/S S S S S H H H H H 170 H H H H H 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 C 200 C H H H H H H H H H 210 H H C H H H H H H H 220 H H H H H H H H S S 230 S S/H H H H H H H H H 240 H H H H H H H S S S 250 S S S S S S S/S S/S S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 B e E E E E 10 E e S S h H H H H 20 H H H H H H H h T B 30 t T T e E E E E E E 40 S h H H H H H H H H 50 H H H H H H h T T t 60 E E E E E E e t T T 70 h H H H H H H H H H 80 H H H H h t T T 90 t e E E E E E E 100 S S g G 110 G G g h H H H H H 120 H H H H H H h H H H 130 H H H H H H H H H h 140 t t T T t E E E 150 E E E E e g G G G g 160 t t T T h H H H H 170 H H H H H H H H H H 180 H H H H H H h T e E 190 E E E E E E S B 200 S h H H H H H H H H 210 H h S h H H H H H H 220 H H H H H H h T t S 230 B h H H H H H H H H 240 H H H H H H h S t 250 T T E E E E e T t Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 ALA 20.2 27.8 78.8 2 ASP 0.0 0.0 87.1 3 GLY 25.5 73.3 62.6 4 LEU 146.5 99.1 42.8 5 GLY 21.7 62.4 81.4 6 CYS 90.7 91.4 61.1 7 ALA 72.6 100.0 44.6 8 VAL 118.6 99.8 31.2 9 CYS 98.6 99.4 34.2 10 VAL 118.7 99.9 32.6 11 LEU 147.7 99.9 36.2 12 THR 105.1 98.3 42.4 13 GLY 21.0 60.4 65.3 14 ALA 72.6 100.0 45.5 15 SER 75.9 90.8 43.4 16 ARG 85.1 40.7 75.6 17 GLY 20.7 59.4 62.2 18 PHE 159.8 95.8 37.4 19 GLY 34.8 100.0 56.0 20 ARG 159.3 76.2 64.3 21 ALA 49.8 68.6 61.7 22 LEU 147.8 100.0 26.7 23 ALA 72.6 100.0 34.5 24 PRO 87.7 70.5 64.7 25 GLN 101.9 68.6 54.2 26 LEU 147.5 99.8 22.2 27 ALA 72.6 100.0 38.9 28 ARG 42.4 20.3 86.2 29 LEU 112.8 76.3 58.2 30 LEU 146.2 98.9 44.4 31 SER 49.5 59.2 62.5 32 PRO 13.1 10.5 83.9 33 GLY 10.1 29.0 73.8 34 SER 83.5 99.9 49.7 35 VAL 114.7 96.6 41.5 36 MET 159.4 100.0 31.1 37 LEU 147.8 100.0 35.4 38 VAL 118.8 100.0 31.1 39 SER 83.6 99.9 41.0 40 ALA 61.6 84.9 66.4 41 ARG 68.7 32.9 82.8 42 SER 44.2 52.9 63.6 43 GLU 92.9 67.0 64.5 44 SER 18.2 21.7 81.4 45 MET 96.1 60.3 67.4 46 LEU 147.8 100.0 47.1 47 ARG 74.8 35.8 71.2 48 GLN 61.0 41.1 75.4 49 LEU 145.6 98.5 43.8 50 LYS 86.1 49.7 62.4 51 GLU 23.9 17.2 76.6 52 GLU 60.3 43.5 76.1 53 LEU 147.7 100.0 35.4 54 GLY 8.0 23.0 77.3 55 ALA 9.1 12.5 81.8 56 GLN 80.6 54.3 61.8 57 GLN 102.7 69.1 57.6 58 PRO 46.2 37.1 85.5 59 ASP 3.6 3.3 81.0 60 LEU 139.0 94.1 44.7 61 LYS 77.9 44.9 59.6 62 VAL 115.3 97.0 37.1 63 VAL 87.0 73.2 51.9 64 LEU 132.8 89.8 47.8 65 ALA 65.5 90.2 46.7 66 ALA 53.4 73.5 69.9 67 ALA 70.1 96.6 56.6 68 ASP 57.5 52.1 57.6 69 LEU 140.8 95.3 42.3 70 GLY 25.9 74.5 61.5 71 THR 45.4 42.5 77.7 72 GLU 0.0 0.0 85.3 73 ALA 14.4 19.8 80.6 74 GLY 34.1 98.0 66.6 75 VAL 106.0 89.3 48.3 76 GLN 50.9 34.3 72.8 77 ARG 92.1 44.1 72.6 78 LEU 147.8 100.0 28.7 79 LEU 141.4 95.7 60.9 80 SER 36.5 43.6 79.5 81 ALA 54.9 75.6 52.8 82 VAL 118.8 100.0 33.9 83 ARG 105.9 50.7 70.0 84 GLU 27.8 20.1 78.7 85 LEU 145.0 98.1 36.9 86 PRO 64.1 51.5 67.4 87 ARG 112.3 53.8 66.5 88 PRO 113.8 91.4 45.1 89 GLU 1.9 1.4 84.6 90 GLY 0.0 0.0 75.9 91 LEU 147.8 100.0 46.8 92 GLN 59.4 40.0 74.3 93 ARG 171.6 82.1 55.5 94 LEU 147.6 99.8 32.3 95 LEU 147.7 100.0 30.6 96 LEU 147.7 99.9 47.7 97 ILE 142.9 99.6 25.5 98 ASN 117.9 97.5 51.8 99 ASN 110.0 91.0 48.3 100 ALA 52.1 71.8 60.4 101 ALA 68.6 94.4 69.7 102 THR 56.0 52.4 61.0 103 LEU 144.8 98.0 31.1 104 GLY 20.0 57.5 60.5 105 ASP 52.2 47.2 76.1 106 VAL 116.6 98.1 60.6 107 SER 43.3 51.8 74.5 108 LYS 126.7 73.1 70.5 109 GLY 22.5 64.8 67.3 110 PHE 14.6 8.7 75.0 111 LEU 0.0 0.0 85.9 112 ASN 58.3 48.2 71.8 113 VAL 85.3 71.8 56.0 114 ASN 25.9 21.4 86.3 115 ASP 41.3 37.3 77.9 116 LEU 6.8 4.6 88.4 117 ALA 12.2 16.8 85.4 118 GLU 72.7 52.5 70.2 119 VAL 91.3 76.9 49.4 120 ASN 33.0 27.3 73.6 121 ASN 28.5 23.6 75.3 122 TYR 166.5 92.0 51.0 123 TRP 132.6 64.7 54.1 124 ALA 42.7 58.8 76.1 125 LEU 113.8 77.0 63.4 126 ASN 118.7 98.2 52.2 127 LEU 113.7 77.0 45.0 128 THR 35.5 33.2 64.3 129 SER 80.0 95.7 48.6 130 MET 155.6 97.6 50.7 131 LEU 71.5 48.3 57.2 132 CYS 50.0 50.4 64.5 133 LEU 146.3 99.0 40.6 134 THR 101.6 95.0 45.4 135 SER 35.0 41.9 66.8 136 GLY 27.1 77.9 70.1 137 THR 106.8 99.9 30.7 138 LEU 134.4 90.9 37.7 139 ASN 21.2 17.5 80.4 140 ALA 62.0 85.3 57.6 141 PHE 152.6 91.5 45.3 142 GLN 0.0 0.0 92.6 143 ASP 16.7 15.1 81.7 144 SER 46.0 55.1 66.3 145 PRO 2.2 1.7 83.6 146 GLY 0.0 0.0 83.9 147 LEU 147.6 99.9 58.1 148 SER 39.7 47.5 72.5 149 LYS 158.8 91.6 54.9 150 THR 102.4 95.8 45.4 151 VAL 118.6 99.8 33.8 152 VAL 118.8 100.0 34.4 153 ASN 120.9 100.0 49.7 154 ILE 134.4 93.7 45.5 155 SER 83.6 100.0 56.7 156 SER 70.1 83.9 45.4 157 LEU 76.5 51.7 73.8 158 CYS 93.7 94.5 40.0 159 ALA 72.5 99.9 60.0 160 LEU 69.6 47.1 69.2 161 GLN 59.7 40.1 62.5 162 PRO 13.6 10.9 75.6 163 TYR 134.8 74.5 46.8 164 LYS 32.3 18.6 84.5 165 GLY 30.8 88.5 69.5 166 TRP 188.1 91.8 35.3 167 GLY 9.3 26.7 70.5 168 LEU 122.7 83.0 40.7 169 TYR 161.8 89.4 44.3 170 CYS 85.3 86.0 54.7 171 ALA 28.9 39.8 67.3 172 GLY 33.9 97.4 47.5 173 LYS 166.1 95.8 54.9 174 ALA 33.2 45.7 73.6 175 ALA 40.4 55.7 59.1 176 ARG 207.4 99.3 51.1 177 ASP 96.6 87.4 60.2 178 MET 50.3 31.5 77.0 179 LEU 95.9 64.9 50.5 180 TYR 177.7 98.2 50.5 181 GLN 58.0 39.0 68.9 182 VAL 44.3 37.3 69.6 183 LEU 115.5 78.1 39.1 184 ALA 67.8 93.4 62.0 185 ALA 8.3 11.4 84.2 186 GLU 42.6 30.7 71.0 187 GLU 63.1 45.5 66.1 188 PRO 30.5 24.5 89.6 189 SER 5.4 6.5 81.0 190 VAL 108.7 91.5 45.6 191 ARG 154.9 74.2 63.9 192 VAL 118.8 100.0 40.6 193 LEU 147.8 100.0 31.4 194 SER 83.1 99.4 56.1 195 TYR 181.0 100.0 35.2 196 ALA 71.7 98.7 55.8 197 PRO 110.8 89.0 45.3 198 GLY 29.1 83.5 47.4 199 PRO 96.5 77.5 51.0 200 LEU 134.2 90.8 52.4 201 ASP 44.7 40.4 64.2 202 ASN 90.9 75.2 56.0 203 ASP 26.1 23.6 84.5 204 MET 98.3 61.7 64.3 205 GLN 125.8 84.6 56.4 206 GLN 72.8 49.0 81.9 207 LEU 61.2 41.4 68.7 208 ALA 68.9 95.0 47.2 209 ARG 193.2 92.5 49.2 210 GLU 52.1 37.6 74.9 211 THR 57.9 54.2 58.2 212 SER 83.5 99.9 53.6 213 LYS 68.0 39.2 82.6 214 ASP 85.3 77.1 51.9 215 PRO 43.4 34.9 82.4 216 GLU 16.9 12.2 81.2 217 LEU 129.6 87.7 47.3 218 ARG 139.3 66.7 70.1 219 SER 29.6 35.4 77.9 220 LYS 32.0 18.4 79.0 221 LEU 133.9 90.6 47.7 222 GLN 59.4 39.9 72.2 223 LYS 41.0 23.7 88.9 224 LEU 93.3 63.1 56.0 225 LYS 79.0 45.6 75.8 226 SER 20.8 24.9 79.6 227 ASP 54.3 49.2 75.1 228 GLY 0.0 0.0 88.1 229 ALA 31.5 43.5 68.9 230 LEU 141.5 95.8 54.6 231 VAL 107.2 90.3 49.1 232 ASP 28.7 26.0 77.6 233 CYS 86.1 86.8 51.4 234 GLY 23.7 68.2 70.3 235 THR 45.4 42.5 67.1 236 SER 83.6 100.0 40.7 237 ALA 72.6 100.0 48.8 238 GLN 33.7 22.7 81.9 239 LYS 100.0 57.7 69.8 240 LEU 147.8 100.0 22.3 241 LEU 143.0 96.8 40.7 242 GLY 12.1 34.7 74.7 243 LEU 130.4 88.2 42.6 244 LEU 146.2 98.9 28.8 245 GLN 121.5 81.7 53.4 246 LYS 79.1 45.6 74.0 247 ASP 59.4 53.7 74.6 248 THR 23.2 21.7 87.2 249 PHE 152.0 91.2 51.5 250 GLN 22.7 15.2 79.6 251 SER 70.6 84.5 66.6 252 GLY 32.9 94.5 57.1 253 ALA 43.8 60.3 65.1 254 HIS 127.1 84.6 54.6 255 VAL 93.6 78.8 46.3 256 ASP 86.2 78.0 53.5 257 PHE 140.8 84.4 44.3 258 TYR 71.9 39.7 68.8 259 ASP 44.2 40.0 76.0