Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q8u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N GLN 5.A OE1 no hydrogen 2.880 N/A GLU 6.A N GLY 3.A O no hydrogen 3.187 N/A VAL 8.A N GLU 4.A O no hydrogen 3.167 N/A LYS 9.A N GLN 5.A O no hydrogen 3.151 N/A GLU 10.A N GLU 6.A O no hydrogen 3.064 N/A PHE 11.A N SER 7.A O no hydrogen 3.004 N/A LEU 12.A N VAL 8.A O no hydrogen 2.911 N/A ALA 13.A N LYS 9.A O no hydrogen 3.030 N/A LYS 14.A N GLU 10.A O no hydrogen 3.264 N/A ALA 15.A N PHE 11.A O no hydrogen 2.998 N/A LYS 16.A N LEU 12.A O no hydrogen 2.952 N/A LYS 16.A NZ SER 152.A O no hydrogen 2.890 N/A LYS 16.A NZ ASP 154.A OD2 no hydrogen 2.820 N/A GLU 17.A N ALA 13.A O no hydrogen 3.306 N/A ASP 18.A N LYS 14.A O no hydrogen 3.174 N/A PHE 19.A N ALA 15.A O no hydrogen 3.021 N/A LEU 20.A N LYS 16.A O no hydrogen 2.960 N/A LYS 21.A N GLU 17.A O no hydrogen 3.281 N/A TRP 23.A N PHE 19.A O no hydrogen 2.848 N/A GLU 24.A N LEU 20.A O no hydrogen 3.047 N/A ASN 25.A N LYS 22.A O no hydrogen 3.288 N/A ALA 27.A N GLN 89.A OE1 no hydrogen 3.114 N/A GLN 28.A NE2 SER 339.A O no hydrogen 3.682 N/A GLN 28.A NE2 GLU 340.A O no hydrogen 2.868 N/A GLN 28.A NE2 PHE 341.A O no hydrogen 3.521 N/A THR 30.A N SER 102.A O no hydrogen 2.981 N/A THR 30.A OG1 SER 102.A O no hydrogen 3.530 N/A ASP 34.A N HIS 32.A ND1 no hydrogen 3.196 N/A GLN 35.A N HIS 32.A O no hydrogen 3.193 N/A PHE 36.A N LEU 33.A O no hydrogen 3.078 N/A GLU 37.A N LYS 54.A O no hydrogen 2.876 N/A ILE 39.A N LEU 52.A O no hydrogen 3.011 N/A LYS 40.A NZ ASP 321.A OD1 no hydrogen 2.737 N/A THR 41.A N GLU 324.A OE2 no hydrogen 2.885 N/A THR 41.A OG1 GLU 324.A OE1 no hydrogen 2.685 N/A LEU 42.A N VAL 50.A O no hydrogen 2.822 N/A GLY 43.A N VAL 50.A O no hydrogen 3.364 N/A GLY 45.A N GLY 48.A O no hydrogen 2.811 N/A ARG 49.A N ILE 66.A O no hydrogen 3.237 N/A ARG 49.A NH2 GLU 323.A O no hydrogen 2.709 N/A VAL 50.A N GLY 43.A O no hydrogen 2.918 N/A MET 51.A N MET 64.A O no hydrogen 2.945 N/A LEU 52.A N LYS 40.A O no hydrogen 2.766 N/A VAL 53.A N TYR 62.A O no hydrogen 2.914 N/A LYS 54.A N GLU 37.A O no hydrogen 2.828 N/A HIS 55.A N ASN 60.A O no hydrogen 2.844 N/A MET 56.A N GLN 35.A O no hydrogen 3.044 N/A GLY 59.A N HIS 55.A O no hydrogen 2.770 N/A ASN 60.A N THR 58.A OG1 no hydrogen 3.255 N/A ASN 60.A ND2 TYR 62.A OH no hydrogen 3.459 N/A TYR 62.A N VAL 53.A O no hydrogen 2.954 N/A ALA 63.A N MET 113.A O no hydrogen 2.969 N/A MET 64.A N MET 51.A O no hydrogen 2.810 N/A LYS 65.A N MET 111.A O no hydrogen 2.762 N/A LYS 65.A NZ GLU 84.A OE2 no hydrogen 2.650 N/A ILE 66.A N ARG 49.A O no hydrogen 2.800 N/A LEU 67.A N LEU 109.A O no hydrogen 2.888 N/A ASP 68.A N PHE 47.A O no hydrogen 2.948 N/A LYS 69.A N SER 107.A O no hydrogen 3.046 N/A LYS 69.A NZ ASP 105.A O no hydrogen 2.685 N/A LYS 69.A NZ ASN 106.A O no hydrogen 3.147 N/A LYS 69.A NZ LYS 333.A O no hydrogen 2.889 N/A LYS 71.A N ASP 68.A OD1 no hydrogen 3.353 N/A VAL 72.A N ASP 68.A O no hydrogen 3.088 N/A VAL 73.A N LYS 69.A O no hydrogen 3.140 N/A LYS 74.A N GLN 70.A O no hydrogen 2.936 N/A LEU 75.A N LYS 71.A O no hydrogen 3.056 N/A LYS 76.A N VAL 73.A O no hydrogen 3.023 N/A GLN 77.A N VAL 72.A O no hydrogen 2.942 N/A GLN 77.A NE2 LEU 75.A O no hydrogen 3.143 N/A HIS 80.A ND1 GLN 77.A OE1 no hydrogen 2.748 N/A THR 81.A N GLN 77.A O no hydrogen 3.023 N/A THR 81.A OG1 GLN 77.A O no hydrogen 3.009 N/A LEU 82.A N ILE 78.A O no hydrogen 3.077 N/A ASN 83.A N GLU 79.A O no hydrogen 2.907 N/A GLU 84.A N HIS 80.A O no hydrogen 2.953 N/A LYS 85.A N THR 81.A O no hydrogen 3.268 N/A LYS 85.A NZ ALA 27.A O no hydrogen 2.861 N/A LYS 85.A NZ PHE 341.A OXT no hydrogen 2.702 N/A ARG 86.A N LEU 82.A O no hydrogen 3.167 N/A ARG 86.A NE TRP 23.A O no hydrogen 3.018 N/A ARG 86.A NH2 TRP 23.A O no hydrogen 2.937 N/A ILE 87.A N ASN 83.A O no hydrogen 2.953 N/A LEU 88.A N GLU 84.A O no hydrogen 2.927 N/A GLN 89.A N LYS 85.A O no hydrogen 3.078 N/A GLN 89.A NE2 LYS 22.A O no hydrogen 3.072 N/A GLN 89.A NE2 ARG 86.A O no hydrogen 2.871 N/A ALA 90.A N ILE 87.A O no hydrogen 2.934 N/A VAL 91.A N ILE 87.A O no hydrogen 3.272 N/A ASN 92.A N TYR 149.A OH no hydrogen 3.001 N/A LEU 96.A N PHE 93.A O no hydrogen 3.237 N/A VAL 97.A N VAL 175.A O no hydrogen 3.087 N/A GLU 100.A N VAL 112.A O no hydrogen 2.779 N/A PHE 101.A N VAL 112.A O no hydrogen 3.181 N/A SER 102.A N THR 30.A OG1 no hydrogen 3.243 N/A PHE 103.A N TYR 110.A O no hydrogen 3.263 N/A LYS 104.A NZ PHE 338.A O no hydrogen 2.749 N/A LYS 104.A NZ PHE 341.A O no hydrogen 2.917 N/A ASP 105.A N ASN 108.A O no hydrogen 3.068 N/A SER 107.A N ASP 105.A OD1 no hydrogen 3.076 N/A ASN 108.A N ASP 105.A OD1 no hydrogen 2.815 N/A ASN 108.A ND2 TYR 110.A OH no hydrogen 3.071 N/A ASN 108.A ND2 ARG 328.A O no hydrogen 3.536 N/A LEU 109.A N LEU 67.A O no hydrogen 2.792 N/A TYR 110.A N PHE 103.A O no hydrogen 2.911 N/A TYR 110.A OH ASP 105.A OD2 no hydrogen 2.528 N/A MET 111.A N LYS 65.A O no hydrogen 2.949 N/A VAL 112.A N PHE 101.A O no hydrogen 2.841 N/A MET 113.A N ALA 63.A O no hydrogen 2.816 N/A GLU 114.A N LYS 98.A O no hydrogen 3.040 N/A TYR 115.A OH ASP 315.A O no hydrogen 2.711 N/A MET 121.A N LEU 165.A O no hydrogen 2.821 N/A PHE 122.A N PRO 162.A O no hydrogen 3.259 N/A SER 123.A N GLU 120.A O no hydrogen 3.191 N/A HIS 124.A NE2 GLY 118.A O no hydrogen 2.872 N/A LEU 125.A N MET 121.A O no hydrogen 2.908 N/A ARG 126.A N PHE 122.A O no hydrogen 2.993 N/A ARG 126.A NH1 GLU 222.A OE2 no hydrogen 2.977 N/A ARG 126.A NH2 GLU 222.A OE2 no hydrogen 2.715 N/A ARG 127.A N SER 123.A O no hydrogen 3.132 N/A ARG 127.A NH1 HIS 124.A ND1 no hydrogen 3.148 N/A ARG 127.A NH2 HIS 124.A ND1 no hydrogen 3.020 N/A ILE 128.A N HIS 124.A O no hydrogen 3.022 N/A GLY 129.A N LEU 125.A O no hydrogen 2.927 N/A PHE 131.A N MET 223.A O no hydrogen 2.902 N/A HIS 135.A N SER 132.A OG no hydrogen 3.332 N/A HIS 135.A NE2 TYR 139.A OH no hydrogen 2.879 N/A ALA 136.A N SER 132.A O no hydrogen 2.915 N/A ARG 137.A N GLU 133.A O no hydrogen 2.936 N/A ARG 137.A NE TRP 288.A O no hydrogen 2.919 N/A ARG 137.A NH2 TRP 288.A O no hydrogen 3.205 N/A PHE 138.A N PRO 134.A O no hydrogen 3.217 N/A TYR 139.A N HIS 135.A O no hydrogen 3.456 N/A TYR 139.A OH HIS 135.A NE2 no hydrogen 2.879 N/A ALA 140.A N ALA 136.A O no hydrogen 2.888 N/A ALA 141.A N ARG 137.A O no hydrogen 2.947 N/A GLN 142.A NE2 PHE 138.A O no hydrogen 3.055 N/A ILE 143.A N TYR 139.A O no hydrogen 3.254 N/A VAL 144.A N ALA 140.A O no hydrogen 2.927 N/A LEU 145.A N ALA 141.A O no hydrogen 3.155 N/A THR 146.A N GLN 142.A O no hydrogen 3.027 N/A THR 146.A OG1 GLN 142.A O no hydrogen 2.837 N/A PHE 147.A N ILE 143.A O no hydrogen 2.956 N/A GLU 148.A N VAL 144.A O no hydrogen 3.019 N/A TYR 149.A N LEU 145.A O no hydrogen 3.099 N/A LEU 150.A N THR 146.A O no hydrogen 2.914 N/A HIS 151.A N PHE 147.A O no hydrogen 2.869 N/A HIS 151.A ND1 LEU 155.A O no hydrogen 3.152 N/A SER 152.A N GLU 148.A O no hydrogen 3.305 N/A SER 152.A OG TYR 149.A O no hydrogen 2.714 N/A LEU 153.A N LEU 150.A O no hydrogen 3.056 N/A ASP 154.A N HIS 151.A O no hydrogen 3.002 N/A LEU 155.A N LEU 150.A O no hydrogen 3.219 N/A ILE 156.A N LYS 182.A O no hydrogen 3.009 N/A TYR 157.A N ASP 212.A OD2 no hydrogen 2.930 N/A TYR 157.A OH THR 176.A O no hydrogen 2.694 N/A TYR 157.A OH ASP 177.A O no hydrogen 3.022 N/A ARG 158.A N ASP 212.A OD1 no hydrogen 2.847 N/A ARG 158.A NE PHE 180.A O no hydrogen 2.763 N/A ARG 158.A NH1 TYR 207.A OH no hydrogen 2.907 N/A ARG 158.A NH2 PHE 180.A O no hydrogen 2.991 N/A LYS 161.A NZ THR 193.A OG1 no hydrogen 2.832 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.690 N/A ASN 164.A N LYS 161.A O no hydrogen 3.001 N/A ASN 164.A ND2 ASP 159.A O no hydrogen 2.874 N/A ASN 164.A ND2 ASP 159.A OD2 no hydrogen 3.179 N/A LEU 165.A N PRO 162.A O no hydrogen 3.343 N/A LEU 166.A N GLN 174.A O no hydrogen 2.960 N/A ILE 167.A N GLY 119.A O no hydrogen 2.927 N/A ASP 168.A N TYR 172.A O no hydrogen 2.864 N/A GLN 170.A N ASP 168.A OD1 no hydrogen 3.051 N/A GLY 171.A N ASP 168.A O no hydrogen 3.061 N/A TYR 172.A N ASP 168.A OD1 no hydrogen 2.837 N/A TYR 172.A OH VAL 302.A O no hydrogen 2.560 N/A ILE 173.A N GLN 142.A OE1 no hydrogen 2.915 N/A GLN 174.A N LEU 166.A O no hydrogen 2.846 N/A VAL 175.A N PHE 95.A O no hydrogen 2.789 N/A THR 176.A N ASN 164.A O no hydrogen 3.071 N/A THR 176.A OG1.A ASN 164.A O no hydrogen 3.129 N/A ASP 177.A N THR 176.A OG1.B no hydrogen 2.519 N/A GLY 179.A N ASP 177.A OD1 no hydrogen 3.032 N/A ALA 181.A N PHE 178.A O no hydrogen 3.084 N/A LYS 182.A N ILE 156.A O no hydrogen 3.143 N/A LYS 182.A NZ THR 188.A OG1 no hydrogen 2.828 N/A ARG 183.A NE LEU 153.A O no hydrogen 2.957 N/A ARG 183.A NH2 ASP 154.A OD2 no hydrogen 2.995 N/A VAL 184.A N ASP 154.A O no hydrogen 3.042 N/A THR 188.A N TYR 207.A O no hydrogen 2.927 N/A THR 193.A OG1 ASP 159.A OD1 no hydrogen 2.946 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.782 N/A TYR 196.A N THR 193.A O no hydrogen 2.870 N/A TYR 196.A OH GLU 222.A OE1 no hydrogen 2.625 N/A LEU 197.A N PRO 194.A O no hydrogen 3.378 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.783 N/A ILE 201.A N ALA 198.A O no hydrogen 3.050 N/A ILE 202.A N ALA 198.A O no hydrogen 3.471 N/A LEU 203.A N PRO 199.A O no hydrogen 3.024 N/A SER 204.A N ILE 201.A O no hydrogen 3.263 N/A LYS 205.A N GLU 200.A O no hydrogen 3.157 N/A TYR 207.A N THR 188.A O no hydrogen 2.993 N/A ALA 210.A N ASN 208.A OD1 no hydrogen 3.029 N/A VAL 211.A N ASN 208.A O no hydrogen 3.237 N/A ASP 212.A N LYS 209.A O no hydrogen 2.996 N/A TRP 214.A N ALA 210.A O no hydrogen 3.209 N/A ALA 215.A N VAL 211.A O no hydrogen 3.090 N/A LEU 216.A N ASP 212.A O no hydrogen 3.061 N/A GLY 217.A N TRP 213.A O no hydrogen 3.227 N/A VAL 218.A N TRP 214.A O no hydrogen 3.091 N/A LEU 219.A N ALA 215.A O no hydrogen 2.869 N/A ILE 220.A N LEU 216.A O no hydrogen 2.957 N/A TYR 221.A N GLY 217.A O no hydrogen 3.089 N/A TYR 221.A OH ARG 248.A O no hydrogen 2.576 N/A GLU 222.A N VAL 218.A O no hydrogen 3.021 N/A MET 223.A N LEU 219.A O no hydrogen 2.944 N/A ALA 224.A N ILE 220.A O no hydrogen 3.048 N/A ALA 225.A N TYR 221.A O no hydrogen 2.813 N/A GLY 226.A N GLU 222.A O no hydrogen 2.899 N/A GLN 237.A N GLN 234.A O no hydrogen 3.109 N/A ILE 238.A N GLN 234.A O no hydrogen 3.304 N/A TYR 239.A N PRO 235.A O no hydrogen 2.953 N/A GLU 240.A N ILE 236.A O no hydrogen 3.207 N/A LYS 241.A N GLN 237.A O no hydrogen 3.399 N/A ILE 242.A N ILE 238.A O no hydrogen 3.071 N/A VAL 243.A N TYR 239.A O no hydrogen 3.213 N/A SER 244.A N GLU 240.A O no hydrogen 3.384 N/A SER 244.A OG LYS 241.A O no hydrogen 2.752 N/A PHE 253.A N PRO 250.A O no hydrogen 3.404 N/A SER 254.A N GLU 133.A OE2 no hydrogen 2.924 N/A SER 254.A OG GLU 133.A OE1 no hydrogen 2.703 N/A SER 254.A OG GLU 133.A OE2 no hydrogen 3.433 N/A LEU 257.A N SER 254.A OG no hydrogen 3.228 N/A LYS 258.A N SER 254.A O no hydrogen 3.097 N/A ASP 259.A N SER 255.A O no hydrogen 3.113 N/A ASP 259.A N ASP 256.A O no hydrogen 3.253 N/A LEU 260.A N ASP 256.A O no hydrogen 3.138 N/A LEU 261.A N LEU 257.A O no hydrogen 2.958 N/A ARG 262.A N LYS 258.A O no hydrogen 2.916 N/A ASN 263.A N ASP 259.A O no hydrogen 3.316 N/A ASN 263.A N LEU 260.A O no hydrogen 3.080 N/A LEU 264.A N LEU 260.A O no hydrogen 2.999 N/A LEU 265.A N LEU 261.A O no hydrogen 2.885 N/A ASP 268.A N GLN 266.A OE1 no hydrogen 3.280 N/A THR 270.A OG1 ASP 268.A OD1 no hydrogen 3.203 N/A THR 270.A OG1 ASP 268.A OD2 no hydrogen 3.302 N/A LYS 271.A N ASP 268.A O no hydrogen 3.000 N/A ARG 272.A N LEU 269.A O no hydrogen 3.477 N/A ARG 272.A NE GLN 266.A O no hydrogen 2.856 N/A ARG 272.A NH1 GLU 200.A OE2 no hydrogen 2.827 N/A ARG 272.A NH1 ALA 210.A O no hydrogen 3.066 N/A ARG 272.A NH2 GLU 200.A OE1 no hydrogen 2.991 N/A ARG 272.A NH2 GLU 200.A OE2 no hydrogen 3.516 N/A ARG 272.A NH2 GLN 266.A O no hydrogen 2.995 N/A PHE 273.A N ASN 263.A O no hydrogen 3.011 N/A ASN 275.A N ARG 272.A O no hydrogen 3.005 N/A ASN 275.A ND2 LEU 269.A O no hydrogen 2.898 N/A ASN 278.A ND2 ASP 282.A OD1 no hydrogen 3.397 N/A GLY 279.A N LEU 276.A O no hydrogen 3.173 N/A ASN 281.A N ASN 278.A O no hydrogen 3.053 N/A ASP 282.A N GLY 279.A O no hydrogen 3.369 N/A ILE 283.A N VAL 280.A O no hydrogen 2.962 N/A LYS 284.A N VAL 280.A O no hydrogen 3.114 N/A LYS 284.A NZ GLU 148.A OE1 no hydrogen 2.812 N/A ASN 285.A N ASN 281.A O no hydrogen 3.069 N/A HIS 286.A N ILE 283.A O no hydrogen 3.177 N/A HIS 286.A NE2 ASP 259.A OD2 no hydrogen 2.668 N/A TRP 288.A N HIS 286.A ND1 no hydrogen 3.000 N/A TRP 288.A NE1 GLU 133.A OE1 no hydrogen 3.011 N/A PHE 289.A N HIS 286.A O no hydrogen 2.970 N/A ALA 290.A N LYS 287.A O no hydrogen 3.029 N/A THR 292.A N PHE 289.A O no hydrogen 3.029 N/A THR 292.A OG1 PHE 289.A O no hydrogen 3.546 N/A ALA 296.A N ASP 293.A OD1 no hydrogen 3.407 N/A ILE 297.A N ASP 293.A O no hydrogen 2.991 N/A TYR 298.A N TRP 294.A O no hydrogen 3.117 N/A GLN 299.A N ILE 295.A O no hydrogen 2.961 N/A ARG 300.A N ILE 297.A O no hydrogen 3.020 N/A ARG 300.A NH1 ASP 168.A OD2 no hydrogen 3.025 N/A ARG 300.A NH1 GLN 170.A OE1 no hydrogen 3.342 N/A ARG 300.A NH2 PRO 94.A O no hydrogen 3.231 N/A ARG 300.A NH2 ASP 168.A OD2 no hydrogen 2.877 N/A LYS 301.A N ALA 296.A O no hydrogen 2.980 N/A LYS 311.A N ASP 315.A OD2 no hydrogen 3.211 N/A ASP 315.A N GLY 312.A O no hydrogen 3.292 N/A SER 317.A N ASP 315.A OD1 no hydrogen 3.054 N/A SER 317.A OG ASP 315.A OD1 no hydrogen 3.015 N/A SER 317.A OG ASP 315.A OD2 no hydrogen 3.091 N/A ASN 318.A ND2 PRO 117.A O no hydrogen 3.216 N/A ASN 318.A ND2 LYS 309.A O no hydrogen 2.939 N/A PHE 319.A N THR 316.A O no hydrogen 2.974 N/A LYS 333.A N ASN 106.A O no hydrogen 2.823 N/A GLU 337.A N GLU 337.A OE1 no hydrogen 2.902 N/A SER 339.A N LYS 336.A O no hydrogen 3.310 N/A PHE 341.A N PHE 338.A O no hydrogen 3.161 N/A