Protein Data Bank File : 1feza Title : HYDROLASE 24-JUL-00 1FEZ Number of Amino Acid Residues : 256 Amino Acid Sequence : 1 2 3 4 5 6 7 8 9 10 0 LYS ILE GLU ALA VAL ILE PHE ASP TRP ALA 10 GLY THR THR VAL ASP TYR GLY CYS PHE ALA 20 PRO LEU GLU VAL PHE MET GLU ILE PHE HIS 30 LYS ARG GLY VAL ALA ILE THR ALA GLU GLU 40 ALA ARG LYS PRO MET GLY LEU LEU LYS ILE 50 ASP HIS VAL ARG ALA LEU THR GLU MET PRO 60 ARG ILE ALA SER GLU TRP ASN ARG VAL PHE 70 ARG GLN LEU PRO THR GLU ALA ASP ILE GLN 80 GLU MET TYR GLU GLU PHE GLU GLU ILE LEU 90 PHE ALA ILE LEU PRO ARG TYR ALA SER PRO 100 ILE ASN ALA VAL LYS GLU VAL ILE ALA SER 110 LEU ARG GLU ARG GLY ILE LYS ILE GLY SER 120 THR THR GLY TYR THR ARG GLU MET MET ASP 130 ILE VAL ALA LYS GLU ALA ALA LEU GLN GLY 140 TYR LYS PRO ASP PHE LEU VAL THR PRO ASP 150 ASP VAL PRO ALA GLY ARG PRO TYR PRO TRP 160 MET CYS TYR LYS ASN ALA MET GLU LEU GLY 170 VAL TYR PRO MET ASN HIS MET ILE LYS VAL 180 GLY ASP THR VAL SER ASP MET LYS GLU GLY 190 ARG ASN ALA GLY MET TRP THR VAL GLY VAL 200 ILE LEU GLY SER SER GLU LEU GLY LEU THR 210 GLU GLU GLU VAL GLU ASN MET ASP SER VAL 220 GLU LEU ARG GLU LYS ILE GLU VAL VAL ARG 230 ASN ARG PHE VAL GLU ASN GLY ALA HIS PHE 240 THR ILE GLU THR MET GLN GLU LEU GLU SER 250 VAL MET GLU HIS ILE GLU Main and Side Chain Dihedral Angles : Residue Type Phi Psi Omega Chi 1 Chi 2 Chi 3 Chi 4 1 LYS 0.0 133.6 -179.0 -172.0 -179.3 179.2 -175.9 2 ILE -100.8 107.2 -178.3 -56.8 -64.2 3 GLU -93.1 -33.0 -178.9 -114.5 -71.3 -142.2 4 ALA -139.7 161.0 179.4 5 VAL -137.9 113.0 178.8 -163.9 6 ILE -89.8 113.5 -179.7 -44.8 -54.2 7 PHE -94.3 144.3 177.7 -80.5 80.6 8 ASP -85.1 163.0 179.7 -176.4 -140.4 9 TRP -88.0 -97.1 180.0 -82.1 84.1 10 ALA -53.5 125.3 -179.2 11 GLY 94.3 -29.1 -179.7 12 THR -104.5 -46.4 -179.0 -57.7 13 THR -117.6 -22.3 179.8 45.8 14 VAL -142.6 163.8 177.9 -73.5 15 ASP 58.5 63.3 179.8 -173.2 175.6 16 TYR -52.0 119.5 -179.7 -174.4 82.8 17 GLY 93.6 -9.8 179.6 18 CYS 52.9 73.2 179.3 -170.7 19 PHE -113.6 0.2 -179.7 -74.6 78.9 20 ALA -49.3 -61.7 -179.5 21 PRO -67.3 -46.8 -178.5 -20.8 40.1 22 LEU -40.6 -38.2 -179.9 -178.6 68.8 23 GLU -77.9 -37.5 -179.9 -48.0 159.7 173.5 24 VAL -61.7 -49.5 179.2 175.9 25 PHE -59.3 -54.8 178.8 -76.3 108.0 26 MET -52.9 -27.4 -178.7 -63.7 -154.1 -111.7 27 GLU -78.5 -49.9 -179.8 -158.3 39.7 -78.8 28 ILE -59.0 -41.9 -179.7 70.7 170.1 29 PHE -68.6 -35.9 179.5 -75.5 86.7 30 HIS -52.0 -48.0 179.4 170.8 66.3 31 LYS -47.2 -61.2 -179.4 -163.5 178.5 -56.4 165.9 32 ARG -74.0 47.8 178.6 -35.2 -176.6 -174.2 -48.6 33 GLY 38.9 21.4 179.2 34 VAL -117.3 94.4 -179.7 176.2 35 ALA -75.1 124.6 178.5 36 ILE -125.6 152.8 -179.1 89.1 168.7 37 THR -97.3 177.2 -179.1 63.1 38 ALA -66.2 -35.4 178.5 39 GLU -78.9 -53.4 -178.9 -75.4 97.1 -55.0 40 GLU -66.9 13.0 177.9 69.0 -177.3 -168.2 41 ALA -118.2 -46.8 178.2 42 ARG -64.4 -51.5 179.7 164.9 146.1 -90.6 123.3 43 LYS -28.4 -50.6 179.8 161.3 73.2 162.3 45.7 44 PRO -82.4 39.8 -179.2 -24.5 42.6 45 MET -23.6 151.6 177.8 59.1 160.9 79.5 46 GLY 53.3 -116.3 -178.4 47 LEU 47.1 177.7 179.7 -63.6 -149.5 48 LEU -83.7 123.9 -178.7 -51.7 173.3 49 LYS -30.6 -32.7 179.3 -99.3 68.9 173.6 177.5 50 ILE -70.5 -56.6 -178.9 -56.0 149.8 51 ASP -67.2 -1.8 178.3 -53.2 176.3 52 HIS -83.9 -48.5 178.9 -173.0 -155.2 53 VAL -53.6 -44.8 179.4 -168.8 54 ARG -52.5 -48.1 178.3 161.2 147.7 -66.3 -54.1 55 ALA -59.6 -61.1 179.4 56 LEU -48.0 -25.5 -179.9 -69.4 169.3 57 THR -71.9 -27.9 -178.9 -89.2 58 GLU -93.8 0.1 179.2 -78.7 146.7 176.7 59 MET -64.6 113.3 -179.8 -63.3 -84.7 -88.4 60 PRO -31.7 -59.7 -179.4 -36.9 43.3 61 ARG -58.3 -33.5 179.3 -135.0 -85.3 -60.3 160.5 62 ILE -79.0 -40.5 -179.6 -62.6 -58.5 63 ALA -71.3 -18.8 178.5 64 SER -83.6 -44.2 178.8 -68.2 65 GLU -70.9 -29.6 179.3 -89.0 -61.2 -73.6 66 TRP -63.7 -51.1 -179.0 -172.2 -75.1 67 ASN -66.4 -19.1 179.1 -147.9 47.8 68 ARG -76.0 -26.7 -178.8 -178.3 -147.7 68.0 -178.0 69 VAL -88.3 -73.3 -178.1 -176.0 70 PHE -78.7 -7.4 179.4 -52.0 87.3 71 ARG 57.1 51.9 179.9 -55.5 145.1 165.5 -77.8 72 GLN -158.7 -60.5 -177.0 -84.5 178.0 55.1 73 LEU 114.0 134.7 -179.6 -77.3 158.1 74 PRO -42.7 144.1 -180.0 -29.9 42.9 75 THR -128.6 174.6 -179.3 76.2 76 GLU -55.8 -26.5 178.7 -167.3 49.0 44.0 77 ALA -69.8 -64.7 -179.9 78 ASP -43.6 -42.1 179.3 -55.5 -32.4 79 ILE -59.6 -52.1 178.8 -58.0 -38.7 80 GLN -55.6 -60.6 179.5 -120.4 58.5 53.9 81 GLU -45.3 -40.4 -178.8 165.8 -165.1 58.7 82 MET -73.3 -48.9 179.3 -70.9 -156.3 -82.8 83 TYR -65.3 -17.5 179.1 175.3 59.8 84 GLU -85.8 -52.3 179.3 -62.7 175.7 -176.9 85 GLU -72.7 26.0 179.6 -68.3 176.8 -55.3 86 PHE -110.7 -69.6 -179.7 177.1 86.4 87 GLU -40.5 -56.0 -179.3 -55.5 -171.6 -56.4 88 GLU -51.9 -43.2 179.6 64.1 178.5 64.4 89 ILE -67.8 -30.4 179.8 -48.1 -177.4 90 LEU -74.5 -56.9 -179.2 -160.8 90.6 91 PHE -48.3 -37.2 -178.3 -57.8 139.3 92 ALA -71.3 -30.0 -177.6 93 ILE -120.6 7.3 -178.3 63.9 89.2 94 LEU -67.4 -35.1 179.9 -138.8 47.2 95 PRO -62.5 -25.4 178.8 -34.0 46.4 96 ARG -64.2 -16.0 -177.5 -75.1 -168.0 -179.1 -171.5 97 TYR -115.4 14.2 179.2 -53.0 69.3 98 ALA -103.2 30.4 -179.7 99 SER -93.3 117.0 -179.7 -147.5 100 PRO -52.3 130.4 -179.0 -33.1 44.8 101 ILE -61.0 134.8 179.1 -65.0 164.9 102 ASN -55.7 116.3 -179.8 -65.7 -61.4 103 ALA 130.2 -58.4 -176.9 104 VAL -55.7 -40.1 180.0 -154.1 105 LYS -57.8 -55.3 -179.6 -149.5 -179.1 -56.7 63.8 106 GLU -59.3 -20.4 -179.2 16.9 -85.6 -55.4 107 VAL -90.4 -38.8 179.9 176.9 108 ILE -59.5 -41.0 -179.7 -46.7 -63.1 109 ALA -54.5 -41.2 -179.2 110 SER -69.5 -33.9 178.1 -35.6 111 LEU -73.3 -43.6 179.9 -53.1 -177.0 112 ARG -53.4 -43.0 179.8 -78.1 -72.2 -174.2 42.0 113 GLU -61.5 -30.9 -179.8 -66.0 178.1 55.7 114 ARG -85.2 -3.6 179.2 -51.2 -171.3 45.4 -168.8 115 GLY 81.5 32.6 -179.8 116 ILE -99.1 113.7 -179.2 -51.2 -179.6 117 LYS -62.5 129.3 -179.5 -42.9 101.1 -179.0 76.1 118 ILE -96.6 129.2 179.6 -53.3 -61.5 119 GLY -126.6 -169.3 178.4 120 SER -176.0 154.1 177.9 70.4 121 THR -132.2 178.9 -178.4 55.4 122 THR -170.6 -171.5 178.8 174.6 123 GLY -121.9 -33.4 178.7 124 TYR -52.8 140.7 -179.9 -75.9 157.9 125 THR -78.1 157.0 -179.9 -59.4 126 ARG -49.7 -39.0 179.1 -161.6 177.4 -53.3 139.4 127 GLU -54.9 -36.6 -178.8 56.2 -179.0 175.0 128 MET -91.6 -45.6 -179.3 -51.7 160.8 -125.2 129 MET -54.2 -37.8 179.1 -108.6 -57.6 98.6 130 ASP -57.6 -38.1 178.5 -76.2 32.3 131 ILE -73.6 -59.5 -179.9 -63.7 168.7 132 VAL -48.6 -53.3 -179.4 167.6 133 ALA -53.3 -63.5 -179.7 134 LYS -39.4 -43.1 179.1 -178.3 -179.2 179.8 -180.0 135 GLU -68.4 -53.5 -179.5 175.5 56.7 -155.9 136 ALA -47.3 -44.7 179.5 137 ALA -60.3 -54.3 179.1 138 LEU -48.1 -17.7 -179.9 -84.3 -175.8 139 GLN -117.2 39.6 176.8 -76.0 174.0 148.2 140 GLY 64.0 30.9 178.0 141 TYR -141.0 120.0 -177.5 171.4 56.4 142 LYS -159.8 94.1 180.0 -179.8 -179.4 176.5 155.6 143 PRO -53.1 157.6 -178.9 34.0 -46.2 144 ASP -65.1 -27.0 178.4 -56.8 170.0 145 PHE -150.5 154.0 -178.9 -159.4 64.3 146 LEU -130.6 155.1 179.0 -171.0 160.7 147 VAL -155.2 136.0 179.0 178.3 148 THR -120.0 154.4 179.8 43.7 149 PRO -46.8 -17.8 179.8 -34.5 44.6 150 ASP -81.7 -27.7 -179.0 -52.6 78.1 151 ASP -65.2 -20.2 -177.6 -61.5 16.3 152 VAL -133.9 169.8 179.8 -73.9 153 PRO -59.8 -96.6 -179.7 21.7 -39.0 154 ALA -60.5 159.2 -179.4 155 GLY -69.7 -132.3 -176.1 156 ARG -78.0 -58.5 -179.0 169.6 153.7 -90.8 179.5 157 PRO -39.5 -25.0 179.6 29.1 -42.0 158 TYR -80.7 165.5 -179.5 -57.9 61.5 159 PRO -87.5 -2.5 -177.2 38.7 -45.0 160 TRP -46.7 -43.5 -179.2 -44.3 149.9 161 MET -69.9 -24.2 179.3 -65.4 -168.1 -79.7 162 CYS -82.2 -34.6 -179.7 -56.4 163 TYR -63.5 -28.0 -179.4 -78.9 170.9 164 LYS -85.3 -26.6 177.7 -168.0 173.1 169.1 -58.9 165 ASN -72.5 -56.1 179.5 -99.5 -79.0 166 ALA -44.0 -50.1 179.7 167 MET -57.4 -37.1 -178.6 179.2 -177.6 -58.1 168 GLU -88.4 -34.8 178.8 -91.5 -65.2 -47.4 169 LEU -75.2 -33.5 -179.6 -63.3 168.6 170 GLY 87.2 70.1 179.1 171 VAL -138.4 127.5 -176.8 -168.1 172 TYR -68.8 -93.1 -178.7 -71.3 0.3 173 PRO -52.9 137.5 177.7 -11.5 34.7 174 MET -62.4 -26.7 -179.7 -76.0 -49.5 -79.7 175 ASN -82.6 20.4 174.7 67.7 37.9 176 HIS -115.7 24.3 -178.4 -83.1 -160.8 177 MET -139.2 137.7 -179.7 -54.4 -168.9 -69.9 178 ILE -109.4 126.4 178.7 -66.9 175.6 179 LYS -102.7 124.2 -179.3 -150.6 -62.4 176.6 54.2 180 VAL -113.9 128.0 -178.7 -171.4 181 GLY -145.5 173.2 -178.2 182 ASP -118.0 17.9 -179.0 62.6 -60.4 183 THR -141.9 164.5 179.5 38.5 184 VAL -60.8 -52.7 179.7 175.4 185 SER -63.1 -26.1 179.6 -80.5 186 ASP -65.2 -31.2 179.9 -128.6 -43.3 187 MET -70.6 -47.5 179.0 -58.1 -55.2 88.9 188 LYS -50.4 -49.8 -179.8 -66.6 168.4 54.0 66.0 189 GLU -52.3 -36.3 -179.5 156.7 163.5 38.5 190 GLY -77.6 -47.6 179.5 191 ARG -57.1 -55.6 179.9 -61.7 -64.9 -68.8 -164.1 192 ASN -53.8 -37.4 178.3 -68.3 -22.6 193 ALA -67.0 -17.0 179.8 194 GLY 75.7 26.6 -178.6 195 MET -119.1 145.6 -179.6 34.3 -167.4 -77.5 196 TRP -46.3 123.7 -178.1 -82.4 -61.5 197 THR -102.2 132.2 179.5 -62.4 198 VAL -124.3 145.0 179.1 -176.2 199 GLY -121.5 130.9 177.8 200 VAL -101.1 131.3 -176.7 139.9 201 ILE -95.4 -61.0 178.9 -59.6 175.3 202 LEU -73.2 88.4 -178.1 -60.0 177.0 203 GLY 173.2 10.3 178.1 204 SER 42.4 -131.6 -176.5 -59.0 205 SER 80.1 -73.8 177.2 -154.0 206 GLU -70.4 -26.3 179.4 -77.7 -63.0 -47.3 207 LEU -86.4 -55.4 177.0 -153.0 -146.5 208 GLY 78.5 37.5 179.6 209 LEU -122.0 177.1 179.3 -55.7 -172.3 210 THR -139.7 173.8 179.1 -38.0 211 GLU -74.9 85.5 -179.9 -73.6 79.8 -48.4 212 GLU 163.3 14.8 179.0 -109.5 142.4 -61.3 213 GLU -168.9 26.9 179.4 41.1 172.7 174.5 214 VAL -153.7 -54.8 179.3 169.1 215 GLU -75.6 -5.9 179.6 173.5 178.2 -74.7 216 ASN -155.4 31.4 178.5 -171.8 65.6 217 MET -100.9 138.2 -178.0 177.5 165.6 -152.9 218 ASP -61.6 133.4 -178.3 74.5 -59.5 219 SER -37.7 -65.9 -179.3 -42.1 220 VAL -55.2 -28.8 -179.6 159.8 221 GLU -84.1 -53.7 179.0 -176.5 172.7 174.5 222 LEU -47.9 -52.3 179.9 -179.6 76.0 223 ARG -57.2 -56.3 179.8 -78.5 -55.8 161.4 -55.6 224 GLU -48.9 -32.5 -178.8 -175.8 -155.7 -52.8 225 LYS -76.6 -34.3 179.4 -159.0 174.3 -167.2 -47.4 226 ILE -69.8 -58.1 -179.3 -75.8 179.1 227 GLU -39.0 -43.1 -179.4 -134.7 -75.8 59.0 228 VAL -59.6 -40.9 -179.7 179.7 229 VAL -68.3 -44.0 179.5 -160.3 230 ARG -57.5 -34.7 -179.7 -174.9 -171.5 75.4 69.9 231 ASN -74.0 -51.1 -179.6 -112.9 -58.8 232 ARG -48.7 -36.5 179.7 -159.8 174.4 -46.2 169.3 233 PHE -63.8 -73.8 -179.7 -93.4 -41.7 234 VAL -41.1 -32.7 179.6 173.8 235 GLU -72.1 -50.4 -179.0 -69.0 -178.9 173.7 236 ASN -72.2 11.8 175.9 -72.3 -90.2 237 GLY 105.9 15.6 179.8 238 ALA -88.7 144.0 -179.9 239 HIS -78.8 -38.1 179.6 -50.7 -132.5 240 PHE -137.0 169.6 179.9 -52.0 81.4 241 THR -147.4 132.6 -179.9 -102.6 242 ILE -131.2 136.4 -179.4 64.3 -178.5 243 GLU -66.3 -25.7 178.3 -92.1 161.8 33.7 244 THR -147.4 161.2 -179.1 106.5 245 MET -57.2 -17.6 -179.5 -162.0 58.6 60.9 246 GLN -59.7 -56.2 -179.4 -89.5 50.9 38.0 247 GLU -49.1 -31.8 -177.3 -57.8 -172.4 62.1 248 LEU -33.5 -36.6 179.5 -175.8 50.8 249 GLU -83.2 -24.7 178.8 -69.2 -136.7 -81.2 250 SER -71.0 -32.6 179.1 -28.3 251 VAL -76.0 -45.9 179.3 177.9 252 MET -56.4 -33.8 -179.4 -62.5 176.1 37.3 253 GLU -70.7 -45.9 178.6 -153.8 170.8 51.4 254 HIS -61.1 -37.3 -179.9 176.5 93.7 255 ILE -69.8 -5.2 179.5 -53.4 -176.5 256 GLU -122.6 111.7 0.0 -57.4 171.3 -55.9 Alpha Carbon Cartesian Coordinates : Residue Type X Y Z 1 LYS 52.091 22.004 83.080 2 ILE 48.870 21.110 81.158 3 GLU 49.486 20.078 77.554 4 ALA 46.388 18.112 76.499 5 VAL 42.711 17.601 77.368 6 ILE 40.938 14.368 76.447 7 PHE 37.226 15.169 76.161 8 ASP 34.457 12.613 76.459 9 TRP 31.747 12.653 73.803 10 ALA 28.100 12.073 74.830 11 GLY 27.368 14.069 77.959 12 THR 30.553 16.111 77.838 13 THR 30.595 17.654 74.413 14 VAL 27.383 16.435 72.688 15 ASP 24.009 14.987 73.690 16 TYR 23.370 17.076 76.794 17 GLY 22.075 14.639 79.404 18 CYS 23.107 11.636 77.360 19 PHE 19.691 10.592 76.107 20 ALA 20.617 9.026 72.800 21 PRO 20.448 5.427 74.162 22 LEU 17.883 5.969 76.927 23 GLU 15.190 6.359 74.269 24 VAL 16.305 3.404 72.146 25 PHE 16.116 0.965 75.062 26 MET 12.774 2.269 76.227 27 GLU 11.890 1.741 72.588 28 ILE 13.034 -1.827 71.962 29 PHE 11.310 -3.097 75.133 30 HIS 8.079 -1.215 74.381 31 LYS 7.752 -3.318 71.236 32 ARG 7.859 -6.587 73.184 33 GLY 4.995 -5.542 75.444 34 VAL 7.492 -4.886 78.228 35 ALA 7.271 -1.289 79.406 36 ILE 10.345 0.016 81.202 37 THR 11.004 3.528 82.565 38 ALA 13.763 6.166 82.275 39 GLU 15.426 5.386 85.590 40 GLU 15.196 1.605 85.396 41 ALA 16.765 2.072 81.968 42 ARG 19.313 4.679 83.019 43 LYS 19.907 2.708 86.234 44 PRO 22.064 -0.096 84.741 45 MET 24.459 2.683 83.644 46 GLY 27.328 2.399 81.141 47 LEU 28.462 -1.169 80.356 48 LEU 28.702 -2.461 76.782 49 LYS 25.436 -1.714 74.956 50 ILE 25.028 -5.484 74.594 51 ASP 25.479 -6.334 78.265 52 HIS 23.137 -3.458 79.074 53 VAL 20.127 -5.101 77.506 54 ARG 21.376 -8.087 79.518 55 ALA 21.307 -6.047 82.719 56 LEU 17.866 -4.595 81.979 57 THR 16.774 -8.172 81.404 58 GLU 17.543 -8.994 85.042 59 MET 15.732 -6.023 86.572 60 PRO 13.340 -7.896 88.881 61 ARG 10.399 -5.782 87.732 62 ILE 11.456 -6.249 84.092 63 ALA 12.082 -9.983 84.332 64 SER 8.653 -10.245 85.945 65 GLU 6.659 -8.312 83.322 66 TRP 8.612 -10.090 80.616 67 ASN 7.601 -13.512 81.906 68 ARG 4.053 -12.201 82.207 69 VAL 4.215 -11.630 78.470 70 PHE 6.229 -14.337 76.728 71 ARG 5.803 -16.823 79.572 72 GLN 9.514 -17.730 79.735 73 LEU 12.168 -15.136 80.639 74 PRO 14.674 -13.517 78.188 75 THR 17.178 -15.775 76.448 76 GLU 20.458 -15.512 74.518 77 ALA 18.306 -15.174 71.419 78 ASP 16.192 -12.294 72.724 79 ILE 19.310 -10.409 73.858 80 GLN 20.823 -10.644 70.389 81 GLU 17.547 -9.745 68.725 82 MET 17.449 -6.762 71.050 83 TYR 21.028 -5.495 70.729 84 GLU 20.468 -5.864 67.021 85 GLU 17.123 -4.058 66.849 86 PHE 19.085 -1.496 68.838 87 GLU 21.973 -0.349 66.650 88 GLU 19.800 0.248 63.568 89 ILE 17.478 2.438 65.656 90 LEU 20.476 4.282 67.033 91 PHE 22.246 4.854 63.724 92 ALA 18.922 6.183 62.520 93 ILE 18.405 8.728 65.290 94 LEU 21.941 9.381 66.486 95 PRO 22.581 12.593 64.520 96 ARG 19.802 14.311 66.474 97 TYR 22.130 13.994 69.451 98 ALA 25.467 14.989 67.977 99 SER 24.789 18.699 68.560 100 PRO 27.568 20.372 70.616 101 ILE 26.553 21.487 74.086 102 ASN 26.171 25.232 74.569 103 ALA 29.539 26.138 76.091 104 VAL 32.010 23.578 74.779 105 LYS 32.456 25.067 71.318 106 GLU 33.476 28.426 72.822 107 VAL 35.866 26.698 75.266 108 ILE 37.782 24.436 72.900 109 ALA 38.674 27.556 70.941 110 SER 40.270 29.005 74.063 111 LEU 42.415 25.952 74.830 112 ARG 43.294 25.913 71.142 113 GLU 44.479 29.506 71.411 114 ARG 46.812 28.316 74.190 115 GLY 48.230 25.486 72.083 116 ILE 46.577 22.636 73.936 117 LYS 46.056 19.561 71.754 118 ILE 42.451 18.345 72.001 119 GLY 41.723 14.617 72.124 120 SER 38.827 12.340 73.070 121 THR 37.792 8.780 73.921 122 THR 34.346 7.234 73.993 123 GLY 32.093 4.181 74.281 124 TYR 30.202 4.581 71.018 125 THR 31.621 2.085 68.529 126 ARG 33.488 3.223 65.431 127 GLU 30.383 2.308 63.480 128 MET 28.576 4.980 65.542 129 MET 31.298 7.509 66.376 130 ASP 31.810 7.962 62.680 131 ILE 28.190 9.138 62.443 132 VAL 28.093 11.151 65.630 133 ALA 31.423 12.711 64.773 134 LYS 30.568 13.632 61.148 135 GLU 27.575 15.562 62.443 136 ALA 29.560 17.134 65.263 137 ALA 32.164 18.402 62.821 138 LEU 29.406 19.823 60.642 139 GLN 28.441 21.811 63.744 140 GLY 31.784 23.360 64.653 141 TYR 33.277 20.767 66.995 142 LYS 36.140 18.458 66.124 143 PRO 38.887 17.234 68.483 144 ASP 42.419 16.806 67.172 145 PHE 42.166 13.060 67.573 146 LEU 39.519 10.414 68.137 147 VAL 39.610 6.862 69.515 148 THR 37.026 4.172 69.921 149 PRO 37.067 0.995 72.069 150 ASP 37.728 -0.653 68.705 151 ASP 40.984 1.170 68.144 152 VAL 42.271 -0.858 71.106 153 PRO 41.819 -4.224 72.881 154 ALA 39.816 -3.885 76.103 155 GLY 37.056 -1.292 76.369 156 ARG 36.701 1.735 78.622 157 PRO 37.590 1.256 82.308 158 TYR 41.220 0.714 81.122 159 PRO 43.688 3.474 80.153 160 TRP 44.287 2.136 76.644 161 MET 42.295 4.781 74.844 162 CYS 44.140 7.632 76.545 163 TYR 47.533 6.060 75.971 164 LYS 46.711 6.134 72.293 165 ASN 45.559 9.768 72.254 166 ALA 48.676 10.830 74.135 167 MET 50.726 8.875 71.634 168 GLU 48.978 10.662 68.735 169 LEU 48.584 14.192 70.086 170 GLY 52.170 13.954 71.199 171 VAL 52.175 14.683 74.919 172 TYR 54.597 12.939 77.273 173 PRO 53.594 12.512 80.921 174 MET 50.060 11.211 81.237 175 ASN 49.910 13.908 83.926 176 HIS 50.313 16.756 81.425 177 MET 46.831 15.770 80.387 178 ILE 43.369 16.465 81.771 179 LYS 40.569 13.953 81.181 180 VAL 37.066 15.424 81.283 181 GLY 34.011 13.209 81.584 182 ASP 30.412 12.884 82.663 183 THR 30.500 9.486 84.346 184 VAL 31.758 7.391 87.240 185 SER 33.554 5.056 84.901 186 ASP 34.883 8.102 83.090 187 MET 36.863 9.014 86.177 188 LYS 38.387 5.558 86.485 189 GLU 39.692 5.794 82.892 190 GLY 41.570 8.945 83.805 191 ARG 43.002 7.814 87.106 192 ASN 44.164 4.587 85.526 193 ALA 45.537 6.703 82.703 194 GLY 47.371 8.465 85.543 195 MET 46.132 11.873 84.467 196 TRP 44.358 14.620 86.457 197 THR 40.679 13.750 86.427 198 VAL 37.837 16.233 86.102 199 GLY 34.100 15.755 86.196 200 VAL 31.443 17.837 84.482 201 ILE 27.992 17.746 86.092 202 LEU 25.382 19.799 84.163 203 GLY 25.596 17.719 81.003 204 SER 23.931 15.142 83.108 205 SER 24.206 11.419 82.480 206 GLU 25.012 10.903 86.134 207 LEU 22.569 13.801 86.564 208 GLY 19.942 12.905 83.925 209 LEU 18.055 16.131 83.270 210 THR 17.383 18.350 80.226 211 GLU 16.727 22.056 79.594 212 GLU 13.198 22.113 81.054 213 GLU 14.031 20.681 84.461 214 VAL 17.345 22.497 84.774 215 GLU 16.721 25.608 82.751 216 ASN 13.478 25.651 84.713 217 MET 13.973 23.407 87.742 218 ASP 13.469 24.968 91.163 219 SER 16.607 26.141 92.944 220 VAL 16.446 24.259 96.238 221 GLU 15.714 21.071 94.290 222 LEU 18.166 21.347 91.409 223 ARG 20.953 21.957 93.932 224 GLU 19.976 19.169 96.301 225 LYS 20.074 17.187 93.049 226 ILE 23.464 18.428 91.901 227 GLU 25.378 17.813 95.144 228 VAL 24.583 14.092 94.916 229 VAL 26.212 13.855 91.537 230 ARG 29.204 15.881 92.746 231 ASN 29.632 13.431 95.585 232 ARG 29.346 10.269 93.544 233 PHE 32.154 11.829 91.525 234 VAL 34.569 12.810 94.267 235 GLU 34.022 9.344 95.682 236 ASN 34.816 7.469 92.487 237 GLY 38.138 9.239 92.048 238 ALA 37.903 12.665 90.404 239 HIS 40.320 15.438 91.342 240 PHE 37.876 18.175 90.456 241 THR 34.264 18.759 89.598 242 ILE 32.787 21.607 87.627 243 GLU 29.128 22.412 87.067 244 THR 30.052 23.453 83.544 245 MET 32.755 23.227 80.925 246 GLN 33.511 26.884 81.651 247 GLU 35.376 26.297 84.911 248 LEU 37.644 23.869 83.051 249 GLU 40.326 26.519 82.495 250 SER 40.156 27.779 86.098 251 VAL 40.926 24.196 87.084 252 MET 43.718 23.741 84.558 253 GLU 44.981 26.929 86.195 254 HIS 44.559 25.612 89.757 255 ILE 46.443 22.499 88.660 256 GLU 49.366 24.777 87.840 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/T T 10 T T C C T T T T H H 20 H H H H H H H H H H 30 H 3 3/S S S S S/H H H H 40 H H H 3 3/S S S S/H H H 50 H H H H H H H H H/H H 60 H H H H H H H H H H 70 S S S S H H H H H H 80 H H H H H H H H H H 90 H H H H/T T T T S S S 100 S S H H H H H H H H 110 H H H H H/S S S S S S 120 S S C C H H H H H H 130 H H H H H H H H H H/S 140 S S S S/S S S S S/T T T 150 T/S S S S C C C C H H 160 H H H H H H H H H H/S 170 S S S/T T T T/S S S S S 180 S S H H H H H H H H 190 H H H H S S S S S S 200 S S C T T T T/S S S S/T 210 T T T/T T T T C H H H 220 H H H H H H H H H H 230 H H H H H H H C S S 240 S S S C C C H H H H 250 H H H H H H Kabsch-Sander Secondary Structure Assignment : 1 2 3 4 5 6 7 8 9 10 0 e E E E E e t T 10 T T t B t T B t h H 20 H H H H H H H H H H 30 H h T t h H H 40 H H h T t S S h H H 50 H H H H H H H H h H 60 H H H H H H H H H h 70 S S h H H H H H 80 H H H H H H H H H H 90 H H H h G G G g B 100 t T h H H H H H H H 110 H H H h T t E E E E 120 e S S h H H H H H 130 H H H H H H H H h T 140 t S t T T 150 T t S S S S S h H 160 H H H H H H H H H h 170 t g G G e E E E E 180 E S h H H H H H H H 190 H H H h t e E E E E 200 e T T B S S S t 210 T T t t T T t h H H 220 H H H H H H H H H H 230 H H H H H h T t S E 240 E E S t T T h H H H 250 H H H H h t Buried Surface Area Percentages : Residue Type Buried Area % Buried % Polar Cover 1 LYS 29.1 16.8 82.7 2 ILE 143.4 99.9 40.1 3 GLU 97.2 70.1 59.4 4 ALA 72.6 100.0 34.9 5 VAL 118.8 100.0 27.5 6 ILE 143.5 100.0 40.4 7 PHE 166.8 100.0 32.3 8 ASP 103.4 93.5 73.9 9 TRP 201.9 98.5 39.0 10 ALA 61.3 84.4 51.5 11 GLY 34.8 100.0 67.7 12 THR 106.9 100.0 44.1 13 THR 106.8 99.9 33.7 14 VAL 118.1 99.4 41.8 15 ASP 101.5 91.8 50.8 16 TYR 150.0 82.9 52.6 17 GLY 34.8 100.0 56.8 18 CYS 73.3 73.9 66.1 19 PHE 129.1 77.4 66.2 20 ALA 72.5 99.8 43.3 21 PRO 109.7 88.1 46.0 22 LEU 137.0 92.7 41.2 23 GLU 77.2 55.7 61.8 24 VAL 116.7 98.2 35.1 25 PHE 164.6 98.7 30.4 26 MET 109.2 68.5 54.2 27 GLU 58.9 42.5 65.4 28 ILE 143.5 100.0 36.4 29 PHE 166.8 100.0 33.6 30 HIS 34.1 22.7 84.7 31 LYS 85.1 49.0 72.8 32 ARG 183.3 87.7 48.4 33 GLY 3.7 10.6 75.1 34 VAL 118.7 99.9 40.9 35 ALA 6.8 9.4 81.5 36 ILE 143.5 100.0 37.3 37 THR 31.9 29.9 76.2 38 ALA 38.6 53.2 57.4 39 GLU 11.7 8.5 79.9 40 GLU 112.0 80.8 49.4 41 ALA 72.3 99.6 40.0 42 ARG 150.3 71.9 60.4 43 LYS 50.1 28.9 67.0 44 PRO 109.0 87.6 50.8 45 MET 72.2 45.3 81.3 46 GLY 0.0 0.0 81.4 47 LEU 52.5 35.5 75.1 48 LEU 38.7 26.2 76.8 49 LYS 131.3 75.7 42.3 50 ILE 76.6 53.4 59.6 51 ASP 57.0 51.6 51.5 52 HIS 134.5 89.6 49.3 53 VAL 118.8 100.0 34.6 54 ARG 120.0 57.4 66.6 55 ALA 52.3 72.1 58.0 56 LEU 147.8 100.0 35.3 57 THR 96.3 90.1 44.4 58 GLU 42.4 30.6 77.7 59 MET 135.5 85.0 46.8 60 PRO 14.6 11.7 81.4 61 ARG 101.1 48.4 68.2 62 ILE 143.5 100.0 45.0 63 ALA 53.6 73.9 58.9 64 SER 18.5 22.1 79.0 65 GLU 93.8 67.7 70.6 66 TRP 201.3 98.2 31.5 67 ASN 66.8 55.3 67.0 68 ARG 68.0 32.6 84.5 69 VAL 85.9 72.3 65.1 70 PHE 91.5 54.8 58.0 71 ARG 24.5 11.8 91.1 72 GLN 33.6 22.6 82.9 73 LEU 64.0 43.3 69.6 74 PRO 122.4 98.3 38.9 75 THR 48.0 44.9 80.0 76 GLU 31.1 22.5 84.9 77 ALA 7.5 10.4 83.8 78 ASP 74.5 67.5 59.1 79 ILE 140.0 97.5 51.7 80 GLN 72.6 48.8 72.1 81 GLU 69.8 50.3 75.6 82 MET 159.4 100.0 42.1 83 TYR 149.0 82.3 46.9 84 GLU 46.1 33.3 71.2 85 GLU 91.5 66.0 68.4 86 PHE 165.9 99.5 26.0 87 GLU 100.6 72.6 56.5 88 GLU 34.4 24.8 68.5 89 ILE 105.0 73.1 51.1 90 LEU 147.6 99.9 26.2 91 PHE 117.6 70.5 52.8 92 ALA 20.2 27.8 75.5 93 ILE 96.9 67.5 54.7 94 LEU 147.1 99.5 28.2 95 PRO 77.0 61.8 64.2 96 ARG 27.1 13.0 82.4 97 TYR 141.7 78.3 62.9 98 ALA 72.6 100.0 47.0 99 SER 32.0 38.3 76.9 100 PRO 121.1 97.3 56.3 101 ILE 122.6 85.4 58.9 102 ASN 0.9 0.7 89.7 103 ALA 57.6 79.4 62.2 104 VAL 117.5 98.9 35.1 105 LYS 96.3 55.5 72.3 106 GLU 44.4 32.0 77.8 107 VAL 107.4 90.4 50.1 108 ILE 135.7 94.6 36.8 109 ALA 25.1 34.6 76.0 110 SER 51.5 61.6 73.9 111 LEU 147.8 100.0 30.8 112 ARG 124.4 59.6 71.8 113 GLU 21.0 15.2 80.8 114 ARG 104.6 50.1 75.3 115 GLY 0.0 0.0 81.2 116 ILE 138.8 96.7 51.7 117 LYS 116.3 67.1 69.7 118 ILE 143.5 100.0 43.5 119 GLY 34.8 100.0 50.4 120 SER 83.5 99.9 52.9 121 THR 106.8 100.0 54.6 122 THR 103.5 96.8 48.0 123 GLY 11.7 33.6 69.2 124 TYR 171.2 94.6 37.0 125 THR 70.8 66.2 62.5 126 ARG 94.9 45.4 75.3 127 GLU 72.6 52.4 60.8 128 MET 155.0 97.2 40.5 129 MET 159.4 100.0 33.4 130 ASP 34.1 30.9 68.4 131 ILE 96.3 67.1 52.1 132 VAL 116.2 97.8 27.9 133 ALA 54.5 75.1 47.8 134 LYS 20.7 11.9 81.2 135 GLU 99.7 71.9 59.3 136 ALA 72.4 99.7 48.0 137 ALA 46.2 63.6 69.0 138 LEU 38.7 26.2 80.4 139 GLN 88.5 59.5 73.8 140 GLY 3.9 11.1 74.6 141 TYR 176.6 97.5 33.6 142 LYS 34.2 19.7 74.1 143 PRO 120.6 96.8 50.8 144 ASP 67.8 61.3 65.9 145 PHE 116.0 69.5 64.8 146 LEU 102.7 69.5 55.3 147 VAL 118.8 100.0 45.4 148 THR 106.4 99.5 42.6 149 PRO 102.9 82.6 54.7 150 ASP 63.8 57.8 68.0 151 ASP 85.0 76.9 68.4 152 VAL 103.3 87.0 46.3 153 PRO 24.4 19.6 73.7 154 ALA 38.4 53.0 61.4 155 GLY 26.8 77.0 54.7 156 ARG 170.8 81.8 60.5 157 PRO 68.0 54.6 56.8 158 TYR 80.8 44.7 62.0 159 PRO 111.5 89.5 42.9 160 TRP 121.0 59.0 49.3 161 MET 159.4 100.0 52.0 162 CYS 99.2 100.0 43.2 163 TYR 96.2 53.1 58.9 164 LYS 117.7 67.9 53.2 165 ASN 120.9 100.0 39.3 166 ALA 66.3 91.3 51.2 167 MET 31.5 19.8 79.9 168 GLU 62.9 45.4 67.6 169 LEU 140.1 94.8 45.6 170 GLY 3.9 11.2 79.9 171 VAL 115.2 97.0 42.1 172 TYR 0.0 0.0 83.4 173 PRO 77.4 62.2 68.1 174 MET 130.1 81.6 49.4 175 ASN 48.2 39.9 67.0 176 HIS 99.7 66.3 56.5 177 MET 159.4 100.0 37.2 178 ILE 143.5 100.0 28.9 179 LYS 173.4 100.0 53.1 180 VAL 118.8 100.0 31.8 181 GLY 34.8 100.0 57.8 182 ASP 108.0 97.8 66.0 183 THR 76.4 71.4 69.1 184 VAL 99.3 83.6 49.1 185 SER 36.9 44.1 55.7 186 ASP 110.5 100.0 60.0 187 MET 159.4 100.0 53.7 188 LYS 84.2 48.5 74.4 189 GLU 138.6 100.0 57.4 190 GLY 34.8 100.0 57.4 191 ARG 101.3 48.5 75.1 192 ASN 56.8 46.9 70.6 193 ALA 72.6 100.0 41.1 194 GLY 4.5 13.0 76.6 195 MET 159.3 99.9 39.1 196 TRP 134.4 65.5 56.9 197 THR 106.9 100.0 47.2 198 VAL 118.8 100.0 31.7 199 GLY 34.8 100.0 48.5 200 VAL 115.0 96.8 48.0 201 ILE 142.4 99.2 33.2 202 LEU 116.6 78.9 45.1 203 GLY 34.1 98.0 55.3 204 SER 83.6 100.0 53.6 205 SER 73.9 88.4 58.5 206 GLU 132.1 95.3 40.7 207 LEU 147.7 99.9 41.9 208 GLY 33.4 96.0 62.7 209 LEU 138.4 93.7 45.8 210 THR 51.4 48.1 61.6 211 GLU 84.9 61.2 57.0 212 GLU 14.1 10.2 79.0 213 GLU 72.8 52.5 62.0 214 VAL 105.6 88.9 44.8 215 GLU 30.9 22.3 71.2 216 ASN 12.2 10.1 83.2 217 MET 135.5 85.0 52.8 218 ASP 34.0 30.8 76.0 219 SER 4.3 5.2 82.6 220 VAL 0.0 0.0 84.1 221 GLU 55.6 40.1 71.6 222 LEU 133.6 90.4 45.2 223 ARG 88.2 42.2 71.8 224 GLU 12.3 8.9 82.6 225 LYS 105.2 60.7 57.7 226 ILE 137.7 95.9 38.8 227 GLU 61.4 44.3 78.6 228 VAL 38.9 32.8 81.2 229 VAL 115.4 97.1 46.7 230 ARG 114.3 54.7 59.5 231 ASN 62.5 51.7 77.2 232 ARG 128.3 61.4 65.1 233 PHE 165.6 99.3 48.0 234 VAL 55.0 46.3 79.0 235 GLU 36.3 26.2 80.9 236 ASN 73.8 61.0 57.5 237 GLY 13.7 39.3 72.8 238 ALA 72.5 99.9 50.9 239 HIS 105.4 70.2 63.3 240 PHE 121.6 72.9 48.0 241 THR 96.0 89.8 39.8 242 ILE 142.3 99.1 41.4 243 GLU 79.4 57.3 56.7 244 THR 60.3 56.4 61.2 245 MET 155.7 97.6 27.9 246 GLN 67.5 45.4 64.2 247 GLU 66.4 47.9 67.7 248 LEU 147.8 100.0 20.8 249 GLU 96.0 69.2 54.0 250 SER 25.5 30.5 73.5 251 VAL 106.6 89.7 33.9 252 MET 159.4 100.0 38.6 253 GLU 22.4 16.2 84.3 254 HIS 27.8 18.5 75.2 255 ILE 134.8 94.0 31.9 256 GLU 95.8 69.1 70.4