Protein Data Bank File : 1hwob Title : HYDROLASE 09-JAN-01 1HWO Number of Amino Acid Residues : 263 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 GLY GLU THR CYS ALA ILE PRO ALA PRO PHE 10 THR ARG ARG ILE VAL GLY ARG ASP GLY LEU 20 CYS VAL ASP VAL ARG ASN GLY TYR ASP THR 30 ASP GLY THR PRO ILE GLN LEU TRP PRO CYS 40 GLY THR GLN ARG ASN GLN GLN TRP THR PHE 50 TYR ASN ASP LYS THR ILE ARG SER MET GLY 60 LYS CYS MET THR ALA ASN GLY LEU ASN SER 70 GLY SER TYR ILE MET ILE THR ASP CYS SER 80 THR ALA ALA GLU ASP ALA THR LYS TRP GLU 90 VAL LEU ILE ASP GLY SER ILE ILE ASN PRO 100 SER SER GLY LEU VAL MET THR ALA PRO SER 110 GLY ALA SER ARG THR THR LEU LEU LEU GLU 120 ASN ASN ILE HIS ALA ALA SER GLN GLY TRP 130 THR VAL SER ASN ASP VAL GLN PRO ILE ALA 140 THR LEU ILE VAL GLY TYR ASN GLU MET CYS 150 LEU GLN ALA ASN GLY GLU ASN ASN ASN VAL 160 TRP MET GLU ASP CYS ASP VAL THR SER VAL 170 GLN GLN GLN TRP ALA LEU PHE ASP ASP ARG 180 THR ILE ARG VAL ASN ASN SER ARG GLY LEU 190 CYS VAL THR SER ASN GLY TYR VAL SER LYS 200 ASP LEU ILE VAL ILE ARG LYS CYS GLN GLY 210 LEU ALA THR GLN ARG TRP PHE PHE ASN SER 220 ASP GLY SER VAL VAL ASN LEU LYS SER THR 230 ARG VAL MET ASP VAL LYS GLU SER ASP VAL 240 SER LEU GLN GLU VAL ILE ILE PHE PRO ALA 250 THR GLY ASN PRO ASN GLN GLN TRP ARG THR 260 GLN VAL PRO Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 GLY 0.0 167.6 -179.9 2 GLU -158.4 85.3 179.8 -179.6 57.2 81.3 3 THR -46.8 148.1 179.7 155.6 4 CYS -70.9 -138.2 180.0 -148.3 5 ALA -150.9 135.3 179.6 6 ILE -66.1 118.9 -179.9 -69.2 -60.9 7 PRO -74.1 141.2 179.4 29.0 -32.4 8 ALA -82.7 173.9 179.9 9 PRO -67.5 149.8 179.3 -15.2 31.8 10 PHE -145.3 144.2 -179.3 47.7 93.2 11 THR -101.8 108.5 179.8 -7.2 12 ARG -127.6 150.4 -179.3 -47.5 -134.1 -173.8 -65.7 13 ARG -77.8 175.1 -180.0 -49.4 -114.0 -96.8 -65.1 14 ILE -140.5 129.3 179.8 -64.0 156.6 15 VAL -140.3 155.3 -179.7 -89.0 16 GLY -173.6 26.4 179.4 17 ARG 173.4 123.6 179.9 -172.9 136.2 163.2 172.6 18 ASP 53.7 22.9 179.9 -66.1 -157.9 19 GLY 68.5 28.8 180.0 20 LEU -93.4 144.5 -179.6 -58.4 157.9 21 CYS -99.3 147.9 179.2 -93.0 22 VAL -87.5 133.2 180.0 126.7 23 ASP -157.2 -179.5 -179.9 64.3 -38.7 24 VAL -99.3 143.9 -179.4 -136.5 25 ARG -60.8 121.3 179.6 -116.4 152.1 57.0 158.4 26 ASN 57.0 16.4 179.6 -47.4 80.9 27 GLY 50.1 36.9 179.7 28 TYR -85.3 112.5 -179.4 -80.3 139.8 29 ASP -67.4 6.4 -179.9 69.7 144.9 30 THR -75.9 148.5 -180.0 63.9 31 ASP -65.6 158.7 179.7 -47.2 -116.0 32 GLY 85.5 -28.7 180.0 33 THR -52.5 116.0 -179.9 -46.4 34 PRO -70.4 173.0 179.5 27.8 -33.6 35 ILE -109.7 149.3 -179.1 -110.2 175.9 36 GLN -157.4 158.6 178.9 40.1 99.4 64.6 37 LEU -73.6 145.6 -179.4 -113.0 -8.1 38 TRP -169.2 139.5 180.0 -177.2 -98.3 39 PRO -43.1 128.4 -179.8 4.7 -22.4 40 CYS -51.8 165.1 179.9 -57.9 41 GLY 167.0 157.9 179.9 42 THR -71.5 96.3 179.6 -18.9 43 GLN -161.0 148.7 -179.4 31.0 -130.0 -111.8 44 ARG -59.0 -47.6 -179.9 -159.5 178.3 53.2 -106.1 45 ASN -52.6 -27.9 179.6 32.7 18.1 46 GLN -90.0 -24.9 179.5 -109.1 126.6 80.9 47 GLN -76.8 139.8 -179.6 -70.8 -179.1 -148.9 48 TRP -137.8 133.5 179.8 -67.7 100.4 49 THR -105.1 135.6 180.0 -52.6 50 PHE -107.0 134.7 -180.0 -59.5 66.2 51 TYR -116.8 161.1 -179.8 -65.6 81.5 52 ASN -61.5 -38.6 -179.6 -172.3 -1.8 53 ASP -56.1 -17.5 179.9 45.3 34.0 54 LYS 93.0 40.8 -179.8 -133.6 101.3 173.6 40.6 55 THR -128.0 129.9 179.0 76.8 56 ILE -104.6 140.5 -179.5 -61.1 103.9 57 ARG -163.1 152.9 179.3 41.9 -175.7 139.9 146.3 58 SER -128.2 150.7 -179.7 165.9 59 MET 63.4 4.3 -180.0 -31.7 -156.3 -121.1 60 GLY 89.5 7.6 180.0 61 LYS -110.8 101.5 -179.2 -50.3 -47.5 -143.3 -70.7 62 CYS -35.2 134.3 179.2 -90.8 63 MET -87.4 91.5 -178.6 174.7 -116.3 -93.4 64 THR -110.4 162.6 -179.8 119.3 65 ALA -83.6 146.5 179.8 66 ASN -100.7 103.5 -178.9 -157.5 109.5 67 GLY 74.4 140.0 -179.4 68 LEU -112.7 110.5 179.3 -122.3 -53.6 69 ASN 173.0 128.4 -179.9 -157.8 118.7 70 SER -37.0 99.7 179.9 6.5 71 GLY 133.6 -10.8 180.0 72 SER -73.8 142.9 180.0 27.5 73 TYR -85.3 177.8 -179.7 73.5 110.9 74 ILE -114.9 155.4 -179.7 -48.4 125.9 75 MET -161.4 176.1 179.7 100.3 -69.9 131.6 76 ILE -112.4 139.2 -179.9 49.4 148.0 77 THR -157.4 151.3 179.8 -85.2 78 ASP -35.8 135.9 -179.9 170.7 57.3 79 CYS -61.4 -53.9 -179.4 -63.6 80 SER -45.7 -60.1 -179.4 -7.8 81 THR -71.7 -24.2 -179.8 66.9 82 ALA -52.5 136.2 179.8 83 ALA -53.7 120.4 -179.4 84 GLU -38.2 -41.2 -179.3 -123.4 -80.2 -16.0 85 ASP -89.5 -39.7 -179.3 -70.8 8.7 86 ALA -74.3 26.6 -180.0 87 THR -131.1 -23.0 -179.8 163.4 88 LYS -81.8 146.6 -179.7 -31.0 -60.1 -145.5 62.4 89 TRP -140.0 150.0 179.6 -64.3 99.8 90 GLU -120.4 131.6 -179.7 -168.5 118.0 72.3 91 VAL -121.8 87.3 179.9 -98.1 92 LEU -75.5 165.7 -179.8 -41.5 135.2 93 ILE -68.1 -6.5 180.0 62.9 153.0 94 ASP -77.6 8.2 -179.9 -26.5 142.9 95 GLY 63.1 52.9 -179.6 96 SER -149.5 141.7 179.8 78.8 97 ILE -110.1 87.3 -179.1 -36.2 167.1 98 ILE -90.8 137.8 179.2 179.7 165.2 99 ASN -83.9 106.8 -179.8 -175.8 -106.4 100 PRO -32.6 -85.9 -179.1 -7.7 -10.4 101 SER -33.6 -61.2 -179.4 -170.5 102 SER -66.5 -67.4 -179.1 58.7 103 GLY 121.7 -7.0 179.7 104 LEU -75.8 167.5 -179.8 -72.0 55.0 105 VAL -133.5 148.0 179.5 -57.1 106 MET -55.4 107.9 -179.3 -174.3 -176.7 -64.4 107 THR -110.1 148.4 179.5 -49.4 108 ALA -123.3 83.0 -179.9 109 PRO -35.9 -52.1 179.6 -30.8 29.6 110 SER -132.0 134.1 -179.9 134.2 111 GLY -83.7 58.0 179.7 112 ALA -112.8 149.3 179.9 113 SER -60.0 138.9 179.7 172.6 114 ARG 71.7 27.4 179.6 -154.6 -172.6 -108.8 95.2 115 THR -96.9 118.8 -179.7 -72.8 116 THR -70.1 142.8 -179.9 -177.3 117 LEU -87.0 173.3 179.9 -79.4 -50.4 118 LEU -173.4 136.7 179.4 43.4 106.8 119 LEU -64.9 140.0 -179.8 -83.7 -78.8 120 GLU -152.2 175.5 -179.9 -87.6 -73.6 -157.0 121 ASN -65.0 107.1 -179.8 -108.2 58.4 122 ASN -55.0 119.2 -179.9 137.0 63.5 123 ILE -129.9 9.7 179.7 45.7 168.9 124 HIS 63.5 76.0 179.8 -62.8 96.3 125 ALA -132.2 156.5 180.0 126 ALA -54.1 -34.5 179.3 127 SER -60.1 -37.0 -179.8 25.3 128 GLN -93.5 32.6 179.4 -49.7 -167.6 162.1 129 GLY -117.2 122.7 -179.8 130 TRP -137.1 143.1 179.7 -57.9 88.2 131 THR -130.0 110.8 -179.9 -64.4 132 VAL -77.3 121.2 -179.7 46.6 133 SER -171.8 148.3 179.2 105.9 134 ASN -75.5 -22.0 179.9 -95.5 106.0 135 ASP -94.2 84.6 -179.9 178.0 -157.5 136 VAL -69.0 5.7 -179.9 -62.3 137 GLN -98.8 117.2 179.9 -88.6 -65.4 100.2 138 PRO -62.9 172.6 -179.9 21.9 -32.0 139 ILE -114.5 138.0 179.1 22.7 146.3 140 ALA -80.2 141.9 -179.1 141 THR -167.6 152.1 179.0 -109.4 142 LEU -109.9 133.1 -179.4 -2.7 129.4 143 ILE -86.8 93.0 179.4 -43.0 -61.0 144 VAL -83.7 106.2 -179.8 -174.5 145 GLY -101.1 -122.0 -179.4 146 TYR -56.9 148.3 179.5 -144.7 42.2 147 ASN 38.2 50.9 179.2 38.5 -98.3 148 GLU 46.1 24.5 179.6 -100.0 78.1 -27.2 149 MET -93.7 149.2 -179.3 -121.8 162.3 158.5 150 CYS -96.5 144.6 179.4 -66.9 151 LEU -70.4 132.3 -179.0 -173.7 48.9 152 GLN -115.9 146.0 179.3 -101.5 -143.1 -140.3 153 ALA -106.1 119.3 -179.4 154 ASN -84.4 -124.1 180.0 -40.2 -71.5 155 GLY -96.5 173.0 179.7 156 GLU -61.8 137.4 -179.8 -153.8 -131.3 -78.1 157 ASN 68.3 -2.9 179.8 -82.8 -161.5 158 ASN -83.9 176.9 -179.2 -111.1 174.9 159 ASN -71.8 -152.7 179.7 -144.0 -38.2 160 VAL -170.5 112.2 -179.6 -96.2 161 TRP -126.4 178.5 -180.0 54.3 82.2 162 MET -85.0 118.2 179.6 -124.9 46.9 45.7 163 GLU -119.0 155.4 -180.0 -99.7 -50.3 -49.2 164 ASP -49.1 119.1 -179.5 -89.7 77.9 165 CYS -47.6 130.8 179.6 -80.1 166 ASP -146.6 104.3 -179.1 -166.6 -8.1 167 VAL -68.7 19.6 179.3 -82.8 168 THR -122.3 -38.2 179.8 83.1 169 SER -62.6 120.2 -180.0 178.7 170 VAL -65.0 -24.4 179.8 -64.8 171 GLN -62.9 -18.3 -179.9 -81.5 145.9 -120.5 172 GLN -100.9 -11.6 179.9 -50.5 -140.3 142.8 173 GLN -79.1 101.6 -179.5 -57.9 -160.9 -15.0 174 TRP -97.2 135.9 179.9 -66.1 108.3 175 ALA -110.1 118.4 180.0 176 LEU -93.5 106.1 -180.0 -49.3 168.9 177 PHE -80.7 149.5 -179.4 -99.0 -115.8 178 ASP -59.0 -20.5 180.0 -52.3 84.7 179 ASP -75.3 14.2 179.9 60.1 2.4 180 ARG 66.5 24.6 179.4 -62.3 -56.4 138.3 117.6 181 THR -114.6 147.8 179.9 74.0 182 ILE -108.0 105.5 -179.7 -41.4 167.0 183 ARG -114.2 152.9 -180.0 -12.6 -175.9 142.4 -144.4 184 VAL -65.3 126.0 179.8 177.8 185 ASN -54.7 -48.0 -180.0 -157.4 84.6 186 ASN -54.4 -42.8 179.9 -133.5 19.6 187 SER -140.4 96.2 -179.4 -38.2 188 ARG -75.3 28.3 179.9 -19.2 -122.5 -114.0 -151.9 189 GLY -90.8 -34.8 179.7 190 LEU -105.4 142.8 -179.6 43.9 113.9 191 CYS -116.9 155.0 179.2 -69.8 192 VAL -61.7 109.8 -179.0 177.0 193 THR -114.7 153.8 179.3 -44.7 194 SER -102.1 168.3 -179.7 156.0 195 ASN -110.2 15.1 -180.0 -84.1 57.6 196 GLY 161.4 -173.2 180.0 197 TYR -121.1 10.1 179.6 -58.3 108.5 198 VAL -99.4 151.7 -179.6 75.9 199 SER -51.1 149.2 179.6 -54.6 200 LYS 71.5 0.3 179.6 -78.1 -170.2 -93.0 143.3 201 ASP -57.7 132.7 -179.0 -114.3 -48.2 202 LEU -74.4 145.4 179.0 -119.6 -166.7 203 ILE -105.0 159.3 -179.6 -57.4 165.8 204 VAL -152.8 -154.5 -179.9 -84.4 205 ILE -133.1 48.2 179.9 9.3 177.4 206 ARG -57.9 176.5 -179.8 -71.1 -159.0 -149.5 137.5 207 LYS -75.4 163.5 179.7 -162.4 122.4 -71.3 -85.1 208 CYS -89.0 132.2 -179.8 -54.4 209 GLN -151.6 -6.5 -179.9 -113.6 141.5 -51.0 210 GLY 95.2 6.3 180.0 211 LEU -53.5 149.0 -179.7 -123.3 83.7 212 ALA -57.7 -18.7 -179.9 213 THR -79.6 -32.3 -179.7 60.1 214 GLN -74.6 10.3 179.9 -24.6 -121.9 -47.0 215 ARG -100.6 121.3 -179.6 -134.0 -155.6 -178.6 -67.4 216 TRP -128.9 118.1 179.3 -64.2 108.5 217 PHE -101.9 122.4 -179.3 157.1 60.2 218 PHE -83.0 89.2 179.7 -64.7 78.1 219 ASN -54.9 135.5 -179.3 -162.8 -25.6 220 SER -56.3 -23.5 -179.8 74.1 221 ASP -68.0 -11.6 179.4 60.5 4.7 222 GLY 107.3 4.5 -179.8 223 SER -108.9 133.4 179.4 70.0 224 VAL -85.7 93.3 -178.6 -176.0 225 VAL -90.4 144.9 179.0 -165.4 226 ASN -84.0 132.3 -178.7 168.9 -92.6 227 LEU -66.2 -58.8 179.7 -88.8 -168.5 228 LYS -46.1 -68.5 178.7 -167.5 99.7 -140.3 -60.5 229 SER -97.4 123.4 -178.7 85.5 230 THR -52.5 -8.5 179.9 91.0 231 ARG -56.1 158.5 -179.8 -72.8 87.4 175.7 88.4 232 VAL -130.2 150.7 179.9 -166.6 233 MET -76.5 137.8 179.8 73.1 141.9 55.0 234 ASP -156.5 -171.7 179.6 59.6 37.8 235 VAL -100.6 117.4 -179.7 -164.5 236 LYS -52.6 121.6 179.4 170.2 79.8 140.9 118.5 237 GLU 50.6 20.1 -179.9 -71.4 149.8 142.1 238 SER 67.5 -21.4 -179.9 -91.9 239 ASP -67.6 96.2 -179.9 -139.0 -1.3 240 VAL -62.8 -23.1 179.8 -176.8 241 SER -59.4 -33.3 180.0 31.9 242 LEU -56.6 -19.6 179.8 -52.6 169.3 243 GLN 54.4 67.8 -179.9 -82.3 177.6 -50.0 244 GLU -173.3 126.1 178.2 64.1 -174.3 173.6 245 VAL -105.6 129.8 -178.3 -177.2 246 ILE -135.4 170.2 179.1 61.5 179.3 247 ILE -87.4 139.3 -179.1 70.8 156.4 248 PHE -159.3 137.4 180.0 -149.0 80.9 249 PRO -41.1 133.3 -179.6 3.8 -22.6 250 ALA -50.6 144.8 179.8 251 THR -135.8 -18.1 180.0 78.5 252 GLY 76.6 18.0 -179.6 253 ASN -94.7 157.8 -179.9 -81.1 -21.6 254 PRO -57.6 -29.5 -180.0 19.5 -32.3 255 ASN -69.0 0.8 179.7 68.5 -35.3 256 GLN -122.3 5.4 -179.8 -103.6 170.6 7.6 257 GLN -93.3 140.2 -179.9 -97.1 -154.6 73.9 258 TRP -140.5 137.3 179.8 -50.4 78.8 259 ARG -114.8 144.9 179.7 167.4 83.1 -89.8 -98.8 260 THR -113.3 101.5 -179.4 142.7 261 GLN -92.6 137.7 179.9 -73.6 -75.4 -49.2 262 VAL -49.2 172.2 -179.7 -80.5 263 PRO -26.2 -69.0 0.0 -18.2 1.4 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 GLY 13.700 37.776 96.481 2 GLU 16.882 39.711 97.216 3 THR 16.821 42.348 99.967 4 CYS 18.906 45.434 99.241 5 ALA 21.646 46.620 101.608 6 ILE 21.819 49.044 104.531 7 PRO 23.914 52.051 103.402 8 ALA 26.812 53.300 105.525 9 PRO 27.420 56.969 106.417 10 PHE 28.529 59.428 103.726 11 THR 29.637 63.070 103.760 12 ARG 27.875 65.244 101.190 13 ARG 27.373 69.011 100.949 14 ILE 24.098 70.943 101.021 15 VAL 22.939 73.858 98.858 16 GLY 19.598 75.491 98.132 17 ARG 19.758 79.188 97.223 18 ASP 22.062 81.519 95.288 19 GLY 24.514 78.630 95.238 20 LEU 25.007 78.959 98.982 21 CYS 26.040 76.012 101.150 22 VAL 24.491 75.029 104.475 23 ASP 26.928 74.953 107.387 24 VAL 27.485 75.692 111.073 25 ARG 28.446 79.127 112.397 26 ASN 32.217 79.350 112.854 27 GLY 32.289 75.566 112.645 28 TYR 31.869 75.410 116.411 29 ASP 31.121 71.815 117.412 30 THR 29.427 73.257 120.501 31 ASP 25.731 72.618 121.097 32 GLY 23.192 75.327 120.349 33 THR 25.218 76.599 117.391 34 PRO 22.606 77.454 114.709 35 ILE 22.766 76.665 110.985 36 GLN 23.091 79.220 108.177 37 LEU 23.744 79.735 104.473 38 TRP 27.338 80.475 103.507 39 PRO 29.536 80.237 100.385 40 CYS 30.592 76.625 99.826 41 GLY 34.120 75.481 100.603 42 THR 36.243 72.609 101.889 43 GLN 35.379 72.626 105.594 44 ARG 33.769 70.382 108.200 45 ASN 31.069 72.894 109.140 46 GLN 30.049 72.651 105.484 47 GLN 30.521 68.870 105.415 48 TRP 27.523 66.776 106.470 49 THR 27.163 63.055 107.186 50 PHE 23.934 61.130 106.618 51 TYR 23.008 58.059 108.661 52 ASN 20.441 55.283 108.239 53 ASP 18.679 56.346 111.442 54 LYS 17.781 59.485 109.463 55 THR 20.211 61.923 111.071 56 ILE 22.513 64.443 109.388 57 ARG 25.481 65.839 111.307 58 SER 28.858 67.560 111.165 59 MET 31.795 67.557 113.588 60 GLY 29.967 64.648 115.191 61 LYS 27.214 66.871 116.570 62 CYS 23.787 65.849 115.267 63 MET 22.069 68.504 113.171 64 THR 18.824 68.881 115.126 65 ALA 16.042 71.488 115.200 66 ASN 15.782 74.146 117.924 67 GLY 12.243 74.276 119.278 68 LEU 9.343 72.851 117.299 69 ASN 6.881 75.242 115.665 70 SER 6.602 76.729 112.176 71 GLY 9.278 79.408 112.404 72 SER 11.887 77.720 114.589 73 TYR 15.520 77.789 113.458 74 ILE 18.016 74.919 113.182 75 MET 21.223 74.146 115.091 76 ILE 23.612 71.347 116.095 77 THR 23.629 69.430 119.381 78 ASP 24.723 66.051 120.776 79 CYS 22.837 63.142 119.203 80 SER 22.114 61.325 122.472 81 THR 20.417 64.271 124.182 82 ALA 18.934 65.538 120.906 83 ALA 15.135 65.261 120.784 84 GLU 14.320 61.876 119.236 85 ASP 12.071 63.625 116.719 86 ALA 13.870 66.959 116.340 87 THR 16.867 65.117 114.876 88 LYS 15.459 63.014 112.027 89 TRP 15.244 64.423 108.503 90 GLU 13.716 63.431 105.169 91 VAL 15.214 64.259 101.772 92 LEU 12.757 63.523 98.969 93 ILE 13.620 63.837 95.275 94 ASP 11.544 67.020 95.336 95 GLY 14.672 68.758 96.569 96 SER 13.411 69.329 100.102 97 ILE 14.522 68.362 103.606 98 ILE 11.315 67.866 105.594 99 ASN 11.296 67.013 109.299 100 PRO 9.142 63.845 109.677 101 SER 7.440 64.285 113.062 102 SER 6.644 67.973 112.583 103 GLY 6.107 68.244 108.844 104 LEU 8.033 71.484 108.414 105 VAL 10.884 71.849 105.919 106 MET 14.309 73.494 105.971 107 THR 13.442 76.978 104.741 108 ALA 15.710 79.868 103.750 109 PRO 13.710 83.139 104.106 110 SER 16.440 85.108 102.320 111 GLY 19.277 83.775 100.190 112 ALA 21.902 86.000 101.777 113 SER 25.297 85.011 103.179 114 ARG 25.265 84.346 106.926 115 THR 21.502 83.827 106.865 116 THR 20.299 81.384 109.520 117 LEU 17.907 78.648 108.425 118 LEU 14.618 77.649 110.046 119 LEU 11.838 75.070 109.754 120 GLU 8.619 76.475 108.311 121 ASN 5.283 75.679 106.668 122 ASN 6.218 73.840 103.470 123 ILE 4.719 75.803 100.569 124 HIS 7.044 74.678 97.767 125 ALA 9.419 77.611 97.260 126 ALA 12.974 77.997 95.951 127 SER 13.893 78.929 99.517 128 GLN 12.690 75.482 100.561 129 GLY 14.745 73.787 97.869 130 TRP 17.883 71.844 98.758 131 THR 20.108 69.398 96.881 132 VAL 22.571 67.239 98.820 133 SER 25.779 66.701 96.840 134 ASN 29.571 66.961 97.001 135 ASP 29.474 68.760 93.649 136 VAL 28.245 72.214 94.642 137 GLN 28.753 73.187 90.991 138 PRO 25.563 73.219 88.877 139 ILE 25.415 71.768 85.359 140 ALA 24.963 73.667 82.095 141 THR 22.194 72.353 79.843 142 LEU 19.715 73.244 77.096 143 ILE 16.047 72.308 77.450 144 VAL 15.138 70.602 74.176 145 GLY 11.365 70.276 74.126 146 TYR 8.906 70.086 71.237 147 ASN 10.133 69.343 67.705 148 GLU 13.733 68.963 68.891 149 MET 13.709 72.700 69.583 150 CYS 15.543 74.247 72.531 151 LEU 13.938 76.524 75.121 152 GLN 15.134 80.106 74.689 153 ALA 15.390 82.997 77.143 154 ASN 14.510 86.408 75.705 155 GLY 14.697 89.652 77.657 156 GLU 14.130 90.403 81.330 157 ASN 10.474 90.073 82.344 158 ASN 9.879 88.779 78.817 159 ASN 8.452 85.402 77.788 160 VAL 10.298 82.210 76.814 161 TRP 9.583 80.116 73.714 162 MET 11.029 77.300 71.610 163 GLU 13.734 78.459 69.208 164 ASP 15.900 76.516 66.758 165 CYS 18.450 74.669 68.893 166 ASP 21.841 76.381 68.898 167 VAL 24.596 75.066 71.172 168 THR 26.205 78.510 70.954 169 SER 23.410 80.934 71.832 170 VAL 23.663 81.733 75.540 171 GLN 19.915 82.387 75.511 172 GLN 19.569 78.615 75.230 173 GLN 22.170 77.879 77.902 174 TRP 20.123 77.002 80.984 175 ALA 21.702 76.668 84.424 176 LEU 20.030 74.315 86.892 177 PHE 20.728 75.462 90.451 178 ASP 20.564 73.009 93.353 179 ASP 17.758 75.145 94.794 180 ARG 15.512 73.524 92.176 181 THR 15.469 76.770 90.191 182 ILE 16.267 77.317 86.514 183 ARG 18.310 80.467 85.942 184 VAL 20.004 81.801 82.810 185 ASN 23.649 80.729 82.678 186 ASN 24.651 84.079 81.186 187 SER 22.912 85.844 84.072 188 ARG 21.951 83.729 87.086 189 GLY 20.036 86.706 88.459 190 LEU 16.660 85.888 86.937 191 CYS 14.902 82.542 87.322 192 VAL 12.248 80.832 85.199 193 THR 9.068 82.243 86.713 194 SER 5.377 81.587 86.133 195 ASN 2.521 84.106 86.002 196 GLY 0.050 82.108 88.080 197 TYR -1.182 78.663 89.111 198 VAL -4.087 78.372 86.682 199 SER -3.987 76.465 83.394 200 LYS -2.580 78.298 80.365 201 ASP -0.689 80.593 82.732 202 LEU 2.226 82.205 80.901 203 ILE 5.854 81.526 81.835 204 VAL 8.719 84.030 81.708 205 ILE 12.188 84.843 83.035 206 ARG 11.435 86.952 86.114 207 LYS 14.017 87.626 88.822 208 CYS 15.070 85.097 91.459 209 GLN 13.540 85.505 94.919 210 GLY 12.531 82.029 96.025 211 LEU 8.921 82.424 94.914 212 ALA 6.870 79.222 94.807 213 THR 6.828 79.749 91.039 214 GLN 10.620 79.619 90.715 215 ARG 10.405 75.997 91.881 216 TRP 10.735 73.348 89.170 217 PHE 10.692 69.600 89.790 218 PHE 11.979 67.466 86.919 219 ASN 9.539 64.545 86.839 220 SER 11.298 61.327 85.815 221 ASP 8.717 60.918 83.052 222 GLY 10.481 63.752 81.256 223 SER 8.174 66.606 82.217 224 VAL 9.275 69.661 84.184 225 VAL 6.406 69.964 86.653 226 ASN 5.750 72.909 88.967 227 LEU 5.567 71.880 92.629 228 LYS 3.017 74.378 93.983 229 SER 0.563 73.859 91.122 230 THR 0.689 70.340 89.661 231 ARG 0.687 72.040 86.249 232 VAL 3.613 71.439 83.888 233 MET 5.381 73.638 81.331 234 ASP 4.641 72.922 77.671 235 VAL 4.034 74.454 74.244 236 LYS 0.670 76.204 73.905 237 GLU -1.450 74.339 71.354 238 SER 1.846 72.842 70.151 239 ASP 2.073 75.860 67.844 240 VAL 5.614 77.004 68.584 241 SER 4.859 80.026 66.408 242 LEU 2.708 81.359 69.249 243 GLN 6.015 81.955 71.041 244 GLU 4.976 80.969 74.567 245 VAL 5.628 78.217 77.112 246 ILE 2.918 77.821 79.749 247 ILE 1.733 75.680 82.656 248 PHE -0.937 73.086 81.880 249 PRO -2.415 69.966 83.550 250 ALA -0.295 66.897 82.781 251 THR -1.324 64.904 79.704 252 GLY 1.674 62.653 79.143 253 ASN 2.033 63.986 75.611 254 PRO 5.280 64.853 73.758 255 ASN 4.351 68.548 73.783 256 GLN 5.018 68.327 77.522 257 GLN 8.303 66.423 77.283 258 TRP 11.646 68.142 77.864 259 ARG 15.233 66.907 77.660 260 THR 18.290 68.366 79.383 261 GLN 21.409 67.998 77.235 262 VAL 24.892 68.621 78.646 263 PRO 26.848 71.801 77.708 Richards-Kundrot Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 S S S S S S S S S/S S 10 S S S S S S/T T T T/S S 20 S S S S/T T T T C S S 30 S S/S S S S S S/S S S S 40 C C T T T T/S S S S S 50 S/T T T T/S S S S/T T T T/S 60 S S S/S S S S S/S S S S/S 70 S S S S S S C T T T 80 T C H H H H H 3/S S S 90 S S/T T T T/S S S S S/T T 100 T T S S S S/S S S S C 110 S S S S/S S S S S S S 120 S/S S S S T T T T/S S S 130 S S S S C S S S S S 140 S S S S T T T T/S S S 150 S S S S S/T T T T/S S S 160 S S C S S S S C T T 170 T T/S S S S S S/T T T T/S 180 S S S S/T T T T C S S 190 S S/S S S S S S S S S/S 200 S S S S S/S S S S S C 210 T T T T/S S S S S S/T T 220 T T/S S S S S/T T T T S 230 S S S S S/T T T T C T 240 T T T/S S S S S S S/S S 250 S S T T T T/S S S S S 260 S S S Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 E 10 E E e E E t T e E 20 E E E E e G G g t 30 T T t e E E E E E e 40 S t T T T t E E E 50 e T T t e E E E T T 60 E E E E E e S t T 70 T t e E E E e t T T 80 T t S t T T B E 90 E E T T T E E E t T 100 T T t E E E S S 110 t T T E E e E E E 120 g G G G g 130 E E e S S E E 140 E E E E g G G G g E 150 E e t T T t 160 e E E t T T g G 170 G G e E E E E T T T 180 E E E E e S t T T B 190 B E E e S t T T 200 t e E E B S 210 g G G G e E E E e T 220 T t e E E E e S S S 230 E E E E e G G g G 240 G G g e E E E E 250 g G G G g E E 260 E Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 GLY 0.0 0.0 91.9 2 GLU 11.0 8.0 87.0 3 THR 0.0 0.0 90.4 4 CYS 0.0 0.0 89.0 5 ALA 4.4 6.1 80.2 6 ILE 32.1 22.4 80.0 7 PRO 44.0 35.4 76.6 8 ALA 9.6 13.2 76.0 9 PRO 70.1 56.3 55.0 10 PHE 96.4 57.8 66.5 11 THR 60.8 56.9 72.3 12 ARG 109.1 52.2 66.0 13 ARG 168.9 80.8 55.3 14 ILE 140.9 98.2 29.2 15 VAL 118.4 99.6 51.5 16 GLY 34.8 100.0 48.8 17 ARG 185.4 88.8 59.6 18 ASP 57.0 51.6 68.6 19 GLY 20.2 58.2 61.2 20 LEU 129.4 87.6 48.7 21 CYS 99.1 99.9 44.0 22 VAL 118.8 100.0 27.9 23 ASP 106.5 96.3 57.6 24 VAL 118.8 100.0 40.0 25 ARG 90.8 43.5 67.5 26 ASN 31.4 26.0 73.3 27 GLY 30.3 87.1 57.6 28 TYR 53.6 29.6 81.2 29 ASP 54.2 49.0 62.4 30 THR 28.3 26.4 82.6 31 ASP 52.3 47.3 70.5 32 GLY 7.2 20.8 74.9 33 THR 93.9 87.9 58.4 34 PRO 106.5 85.6 59.4 35 ILE 143.5 100.0 27.8 36 GLN 141.5 95.2 46.5 37 LEU 147.8 100.0 41.6 38 TRP 125.4 61.2 75.9 39 PRO 63.0 50.6 63.7 40 CYS 87.1 87.8 54.8 41 GLY 15.0 43.2 80.7 42 THR 0.6 0.5 89.0 43 GLN 79.8 53.7 81.6 44 ARG 87.3 41.8 75.2 45 ASN 95.6 79.1 56.0 46 GLN 148.0 99.6 60.0 47 GLN 79.1 53.2 60.0 48 TRP 204.9 100.0 37.9 49 THR 82.3 77.0 53.6 50 PHE 149.8 89.8 36.2 51 TYR 123.6 68.3 67.4 52 ASN 51.9 42.9 65.5 53 ASP 47.4 42.9 71.3 54 LYS 97.7 56.4 72.2 55 THR 98.4 92.0 57.1 56 ILE 138.4 96.4 28.3 57 ARG 164.0 78.5 54.8 58 SER 79.2 94.7 50.2 59 MET 153.2 96.1 48.8 60 GLY 2.8 8.1 71.0 61 LYS 121.2 69.9 67.5 62 CYS 97.6 98.4 50.4 63 MET 158.9 99.7 25.1 64 THR 103.4 96.7 51.0 65 ALA 72.1 99.3 44.0 66 ASN 68.2 56.5 62.0 67 GLY 0.0 0.0 81.6 68 LEU 97.2 65.8 59.4 69 ASN 14.5 12.0 83.3 70 SER 52.6 63.0 73.1 71 GLY 20.3 58.5 75.7 72 SER 66.1 79.0 68.0 73 TYR 108.3 59.8 67.5 74 ILE 143.5 100.0 31.8 75 MET 149.4 93.7 54.4 76 ILE 143.5 100.0 43.5 77 THR 82.3 77.0 52.8 78 ASP 63.6 57.5 67.3 79 CYS 71.7 72.3 67.3 80 SER 10.8 12.9 82.2 81 THR 22.2 20.8 77.8 82 ALA 68.3 94.1 61.1 83 ALA 20.1 27.6 77.4 84 GLU 21.7 15.6 83.1 85 ASP 40.4 36.6 73.3 86 ALA 65.2 89.9 57.2 87 THR 98.2 91.9 45.9 88 LYS 119.7 69.0 63.6 89 TRP 205.0 100.0 39.0 90 GLU 80.3 57.9 52.9 91 VAL 80.5 67.8 52.4 92 LEU 70.9 48.0 76.3 93 ILE 17.7 12.3 79.3 94 ASP 72.4 65.5 49.1 95 GLY 33.3 95.8 76.9 96 SER 70.6 84.5 58.9 97 ILE 137.6 95.9 30.4 98 ILE 105.5 73.5 56.1 99 ASN 120.4 99.6 45.8 100 PRO 80.9 64.9 65.0 101 SER 39.2 46.9 75.7 102 SER 70.0 83.8 53.4 103 GLY 15.5 44.7 70.1 104 LEU 126.5 85.6 57.3 105 VAL 115.0 96.8 54.8 106 MET 159.4 100.0 23.5 107 THR 94.3 88.2 53.7 108 ALA 72.6 100.0 34.1 109 PRO 68.8 55.3 56.8 110 SER 34.0 40.7 71.1 111 GLY 33.6 96.6 56.0 112 ALA 23.5 32.3 84.5 113 SER 48.1 57.6 53.2 114 ARG 58.5 28.0 79.6 115 THR 82.3 77.0 66.8 116 THR 57.3 53.6 60.0 117 LEU 147.8 100.0 35.9 118 LEU 116.4 78.8 50.5 119 LEU 146.9 99.4 41.8 120 GLU 88.5 63.8 55.5 121 ASN 23.5 19.5 75.0 122 ASN 73.9 61.1 65.3 123 ILE 48.2 33.6 73.8 124 HIS 90.8 60.5 64.8 125 ALA 66.6 91.7 59.0 126 ALA 71.6 98.6 54.8 127 SER 73.3 87.6 54.6 128 GLN 144.3 97.1 56.3 129 GLY 34.8 100.0 67.2 130 TRP 204.4 99.7 42.0 131 THR 78.0 73.0 73.8 132 VAL 82.3 69.3 46.1 133 SER 57.7 69.0 66.7 134 ASN 54.1 44.7 77.7 135 ASP 27.7 25.1 80.7 136 VAL 99.5 83.8 56.0 137 GLN 32.8 22.1 81.3 138 PRO 109.4 87.9 67.1 139 ILE 37.2 25.9 78.1 140 ALA 45.3 62.4 65.4 141 THR 104.2 97.5 50.5 142 LEU 136.0 92.0 39.2 143 ILE 138.9 96.8 28.0 144 VAL 97.2 81.8 49.4 145 GLY 34.7 99.7 60.2 146 TYR 122.9 67.9 60.6 147 ASN 61.1 50.5 55.1 148 GLU 6.8 4.9 82.7 149 MET 125.3 78.6 65.6 150 CYS 98.7 99.5 42.8 151 LEU 144.2 97.5 33.0 152 GLN 127.1 85.5 63.6 153 ALA 69.8 96.2 37.5 154 ASN 102.9 85.1 54.8 155 GLY 4.9 14.2 72.1 156 GLU 57.3 41.4 70.8 157 ASN 43.8 36.2 77.0 158 ASN 39.7 32.8 74.7 159 ASN 100.0 82.7 49.9 160 VAL 117.6 99.0 41.8 161 TRP 156.7 76.4 62.3 162 MET 159.3 99.9 35.5 163 GLU 81.1 58.5 69.9 164 ASP 11.4 10.3 75.8 165 CYS 69.6 70.2 61.8 166 ASP 51.5 46.6 72.6 167 VAL 32.6 27.5 68.8 168 THR 23.7 22.2 82.3 169 SER 55.4 66.3 73.3 170 VAL 63.4 53.4 78.0 171 GLN 68.5 46.1 75.0 172 GLN 148.6 100.0 51.7 173 GLN 96.7 65.1 63.5 174 TRP 204.2 99.6 39.7 175 ALA 71.8 98.9 56.1 176 LEU 126.2 85.4 43.9 177 PHE 151.6 90.9 56.2 178 ASP 91.7 83.0 59.4 179 ASP 110.4 99.9 57.9 180 ARG 158.6 75.9 67.7 181 THR 106.7 99.8 50.7 182 ILE 138.6 96.6 27.9 183 ARG 196.4 94.0 51.2 184 VAL 105.9 89.1 47.0 185 ASN 80.9 66.9 64.1 186 ASN 48.5 40.1 66.9 187 SER 27.1 32.4 70.0 188 ARG 122.3 58.5 64.0 189 GLY 7.6 21.9 76.8 190 LEU 125.4 84.9 45.6 191 CYS 98.8 99.6 54.6 192 VAL 117.5 98.9 33.7 193 THR 106.8 99.9 57.6 194 SER 82.5 98.7 48.2 195 ASN 69.0 57.1 72.5 196 GLY 15.7 45.1 70.5 197 TYR 105.2 58.1 62.0 198 VAL 19.1 16.1 84.8 199 SER 59.2 70.8 45.6 200 LYS 63.3 36.5 68.4 201 ASP 91.7 83.0 60.5 202 LEU 90.7 61.4 70.4 203 ILE 143.4 99.9 35.1 204 VAL 107.2 90.2 57.8 205 ILE 142.3 99.2 45.4 206 ARG 131.4 62.9 69.6 207 LYS 82.0 47.3 73.3 208 CYS 93.7 94.5 63.4 209 GLN 36.1 24.3 77.1 210 GLY 34.2 98.4 62.8 211 LEU 62.3 42.2 75.2 212 ALA 63.2 87.1 58.3 213 THR 100.7 94.2 56.6 214 GLN 144.7 97.3 51.6 215 ARG 206.9 99.1 50.4 216 TRP 205.0 100.0 43.4 217 PHE 134.4 80.5 56.1 218 PHE 112.3 67.3 44.9 219 ASN 74.8 61.9 67.1 220 SER 0.0 0.0 90.7 221 ASP 38.4 34.8 84.5 222 GLY 14.1 40.5 81.7 223 SER 72.2 86.3 53.6 224 VAL 114.1 96.1 27.1 225 VAL 99.7 83.9 58.1 226 ASN 119.1 98.5 54.2 227 LEU 124.0 83.9 57.0 228 LYS 101.5 58.5 65.3 229 SER 71.5 85.5 51.7 230 THR 12.8 12.0 84.1 231 ARG 143.7 68.8 62.5 232 VAL 118.3 99.6 53.7 233 MET 157.4 98.8 23.7 234 ASP 105.2 95.2 52.0 235 VAL 115.8 97.5 48.2 236 LYS 122.5 70.6 56.7 237 GLU 38.5 27.8 72.8 238 SER 52.5 62.9 62.2 239 ASP 39.3 35.6 74.5 240 VAL 97.0 81.7 59.3 241 SER 17.6 21.0 82.1 242 LEU 90.9 61.5 72.1 243 GLN 69.5 46.8 68.1 244 GLU 103.8 74.9 48.7 245 VAL 118.2 99.5 32.5 246 ILE 140.4 97.9 42.9 247 ILE 142.6 99.4 50.0 248 PHE 97.1 58.2 56.9 249 PRO 73.3 58.9 65.9 250 ALA 22.6 31.1 76.5 251 THR 61.6 57.7 77.4 252 GLY 0.0 0.0 88.5 253 ASN 44.8 37.1 77.1 254 PRO 41.7 33.5 76.1 255 ASN 90.0 74.5 60.3 256 GLN 144.2 97.1 61.5 257 GLN 49.2 33.1 78.0 258 TRP 202.8 98.9 41.9 259 ARG 85.2 40.8 73.2 260 THR 74.8 69.9 56.5 261 GLN 70.3 47.3 66.2 262 VAL 13.1 11.1 79.3 263 PRO 45.0 36.1 62.3