Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q68_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N ASP 7.A OD2 no hydrogen 3.066 N/A LEU 5.A N ASP 349.A OD1 no hydrogen 2.606 N/A ASN 6.A ND2 GLN 397.A OE1 no hydrogen 3.173 N/A ASP 7.A N SER 4.A OG no hydrogen 2.548 N/A PHE 8.A N SER 4.A O no hydrogen 3.111 N/A LEU 9.A N LEU 5.A O no hydrogen 3.054 N/A SER 10.A N ASN 6.A O no hydrogen 3.114 N/A SER 10.A OG ASN 6.A O no hydrogen 2.234 N/A SER 10.A OG ASP 7.A O no hydrogen 3.096 N/A SER 11.A OG PHE 8.A O no hydrogen 2.896 N/A VAL 12.A N LEU 9.A O no hydrogen 3.071 N/A LEU 13.A N SER 10.A O no hydrogen 3.040 N/A VAL 15.A N ARG 403.A O no hydrogen 2.967 N/A SER 16.A N GLY 401.A O no hydrogen 2.723 N/A GLU 17.A N PRO 14.A O no hydrogen 3.367 N/A GLN 18.A NE2 SER 398.A OG no hydrogen 2.918 N/A PHE 19.A N LEU 399.A O no hydrogen 3.023 N/A GLU 20.A N PHE 58.A O no hydrogen 2.972 N/A TYR 21.A N GLN 397.A O no hydrogen 3.062 N/A TYR 21.A OH ASN 6.A OD1 no hydrogen 2.448 N/A LEU 22.A N SER 56.A O no hydrogen 2.860 N/A SER 23.A OG ASP 349.A O no hydrogen 2.959 N/A LEU 24.A N PHE 54.A O no hydrogen 2.790 N/A GLN 25.A N ILE 351.A O no hydrogen 3.020 N/A GLN 25.A NE2 SER 26.A O no hydrogen 2.787 N/A SER 26.A N GLN 52.A O no hydrogen 3.053 N/A LEU 29.A N LYS 50.A O no hydrogen 3.061 N/A GLU 30.A N LYS 126.A O no hydrogen 2.826 N/A THR 31.A N THR 48.A O no hydrogen 2.971 N/A ARG 43.A N ASP 41.A OD1 no hydrogen 2.103 N/A LYS 46.A N LEU 75.A O no hydrogen 2.661 N/A SER 47.A N LEU 75.A O no hydrogen 3.473 N/A SER 47.A OG LYS 46.A O no hydrogen 2.572 N/A ILE 49.A N VAL 73.A O no hydrogen 2.942 N/A LYS 50.A N LEU 29.A O no hydrogen 2.902 N/A THR 51.A N VAL 71.A O no hydrogen 3.208 N/A GLN 52.A N SER 26.A OG no hydrogen 2.923 N/A HIS 53.A N VAL 69.A O no hydrogen 2.749 N/A HIS 53.A NE2 TYR 121.A OH no hydrogen 2.975 N/A PHE 54.A N LEU 24.A O no hydrogen 2.734 N/A PHE 55.A N LEU 67.A O no hydrogen 2.834 N/A SER 56.A N LEU 22.A O no hydrogen 3.140 N/A SER 56.A OG SER 66.A OG no hydrogen 2.435 N/A LEU 57.A N PHE 65.A O no hydrogen 2.778 N/A PHE 58.A N GLU 20.A O no hydrogen 2.813 N/A HIS 59.A N LYS 62.A O no hydrogen 2.698 N/A HIS 59.A ND1 GLN 18.A O no hydrogen 3.155 N/A LYS 62.A N HIS 59.A O no hydrogen 3.258 N/A LYS 62.A NZ GLN 60.A O no hydrogen 2.744 N/A VAL 63.A N ALA 377.A O no hydrogen 3.384 N/A PHE 64.A N LEU 57.A O no hydrogen 3.049 N/A SER 66.A N ASP 91.A O no hydrogen 3.143 N/A SER 66.A OG PHE 55.A O no hydrogen 3.484 N/A SER 66.A OG SER 56.A OG no hydrogen 2.435 N/A SER 66.A OG PHE 65.A O no hydrogen 3.051 N/A LEU 67.A N PHE 55.A O no hydrogen 2.779 N/A GLU 68.A N LYS 89.A O no hydrogen 2.898 N/A VAL 69.A N HIS 53.A O no hydrogen 2.995 N/A TYR 70.A N PHE 86.A O no hydrogen 2.888 N/A TYR 70.A OH GLU 68.A OE2 no hydrogen 3.046 N/A VAL 71.A N THR 51.A O no hydrogen 2.881 N/A TYR 72.A N LEU 84.A O no hydrogen 2.763 N/A VAL 73.A N ILE 49.A O no hydrogen 3.002 N/A THR 74.A N GLU 82.A O no hydrogen 2.692 N/A LEU 75.A N SER 47.A O no hydrogen 2.821 N/A TRP 76.A N ASP 80.A O no hydrogen 3.203 N/A GLU 82.A N THR 74.A O no hydrogen 3.190 N/A ARG 83.A N LEU 188.A O no hydrogen 2.881 N/A ARG 83.A NE THR 189.A OG1 no hydrogen 2.751 N/A ARG 83.A NH1 LEU 114.A O no hydrogen 3.160 N/A ARG 83.A NH2 LEU 114.A O no hydrogen 2.984 N/A ARG 83.A NH2 THR 189.A OG1 no hydrogen 3.052 N/A LEU 84.A N TYR 72.A O no hydrogen 2.701 N/A ILE 85.A N LYS 190.A O no hydrogen 2.552 N/A PHE 86.A N TYR 70.A O no hydrogen 2.709 N/A VAL 87.A N CYS 192.A O no hydrogen 3.415 N/A SER 88.A N GLU 68.A O no hydrogen 3.005 N/A LYS 89.A N GLU 68.A O no hydrogen 3.325 N/A LYS 89.A NZ ASP 289.A OD2 no hydrogen 3.392 N/A ASP 91.A N SER 66.A O no hydrogen 3.012 N/A THR 92.A N ASP 91.A OD1 no hydrogen 2.806 N/A ASN 93.A N PHE 64.A O no hydrogen 3.303 N/A ASN 93.A ND2 VAL 63.A O no hydrogen 2.635 N/A TYR 95.A N ASN 93.A OD1 no hydrogen 2.928 N/A TYR 95.A OH TYR 371.A O no hydrogen 2.703 N/A CYS 96.A SG THR 98.A O no hydrogen 3.333 N/A ASN 97.A ND2 GLN 60.A OE1 no hydrogen 2.618 N/A THR 98.A OG1 GLU 17.A OE1 no hydrogen 3.182 N/A THR 98.A OG1 GLU 17.A OE2 no hydrogen 3.046 N/A ASP 104.A N SER 101.A OG no hydrogen 2.689 N/A ILE 105.A N SER 101.A O no hydrogen 2.991 N/A THR 106.A N VAL 102.A O no hydrogen 2.825 N/A THR 106.A OG1 VAL 102.A O no hydrogen 2.741 N/A LYS 107.A N ARG 103.A O no hydrogen 2.787 N/A LYS 107.A NZ GLU 234.A OE1 no hydrogen 3.518 N/A LYS 107.A NZ GLU 234.A OE2 no hydrogen 3.059 N/A ILE 108.A N ASP 104.A O no hydrogen 2.711 N/A ILE 109.A N ILE 105.A O no hydrogen 3.066 N/A LEU 110.A N THR 106.A O no hydrogen 3.130 N/A GLU 111.A N LYS 107.A O no hydrogen 2.989 N/A PHE 112.A N ILE 108.A O no hydrogen 2.916 N/A ILE 113.A N ILE 109.A O no hydrogen 3.064 N/A LEU 114.A N LEU 110.A O no hydrogen 2.895 N/A SER 115.A N GLU 111.A O no hydrogen 2.955 N/A SER 115.A OG GLU 111.A O no hydrogen 2.870 N/A ASP 117.A N LEU 343.A O no hydrogen 2.711 N/A ASN 119.A ND2 ASP 117.A OD1 no hydrogen 3.200 N/A ASN 119.A ND2 ASP 117.A OD2 no hydrogen 3.000 N/A ASN 119.A ND2 CYS 183.A O no hydrogen 3.191 N/A TYR 120.A N ASP 117.A O no hydrogen 3.157 N/A TYR 120.A OH GLN 25.A OE1 no hydrogen 2.718 N/A TYR 121.A N PRO 118.A O no hydrogen 3.186 N/A TYR 121.A OH HIS 53.A NE2 no hydrogen 2.975 N/A LEU 122.A N ASN 119.A O no hydrogen 2.591 N/A VAL 125.A N LEU 179.A O no hydrogen 2.642 N/A LYS 126.A N PRO 28.A O no hydrogen 2.895 N/A ALA 128.A N GLU 30.A OE1 no hydrogen 2.500 N/A ARG 130.A NE LEU 177.A O no hydrogen 2.999 N/A ILE 135.A N TYR 132.A O no hydrogen 2.825 N/A SER 141.A N SER 144.A OG no hydrogen 3.361 N/A ALA 143.A N SER 141.A OG no hydrogen 3.158 N/A SER 144.A N SER 141.A O no hydrogen 3.123 N/A ARG 148.A N THR 145.A OG1 no hydrogen 3.040 N/A ARG 148.A NH1 GLU 138.A OE2 no hydrogen 3.164 N/A THR 149.A N THR 145.A O no hydrogen 2.996 N/A THR 149.A OG1 THR 145.A O no hydrogen 2.502 N/A LEU 150.A N PRO 146.A O no hydrogen 2.874 N/A ARG 151.A N ALA 147.A O no hydrogen 3.058 N/A ILE 152.A N ARG 148.A O no hydrogen 2.973 N/A LEU 153.A N THR 149.A O no hydrogen 3.140 N/A ALA 154.A N LEU 150.A O no hydrogen 3.199 N/A ARG 155.A N ARG 151.A O no hydrogen 3.072 N/A ARG 155.A NH1 GLU 138.A OE1 no hydrogen 3.406 N/A ARG 156.A N ILE 152.A O no hydrogen 3.081 N/A ARG 156.A NH1 THR 163.A O no hydrogen 2.907 N/A ARG 156.A NH2 GLU 138.A O no hydrogen 3.163 N/A LEU 157.A N LEU 153.A O no hydrogen 3.055 N/A LYS 158.A N ALA 154.A O no hydrogen 3.073 N/A GLN 159.A N ARG 155.A O no hydrogen 2.813 N/A SER 160.A N ARG 156.A O no hydrogen 2.872 N/A SER 160.A OG ARG 156.A O no hydrogen 3.213 N/A SER 160.A OG SER 162.A O no hydrogen 3.519 N/A GLY 161.A N LEU 157.A O no hydrogen 2.479 N/A VAL 164.A N SER 162.A OG no hydrogen 2.907 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.294 N/A ILE 168.A N LEU 165.A O no hydrogen 3.406 N/A SER 170.A N GLU 167.A O no hydrogen 2.983 N/A SER 170.A OG GLU 167.A O no hydrogen 2.795 N/A GLN 174.A N SER 170.A O no hydrogen 3.012 N/A GLN 174.A NE2 GLU 169.A O no hydrogen 3.099 N/A GLN 175.A N PRO 171.A O no hydrogen 2.974 N/A ASP 176.A N ARG 172.A O no hydrogen 3.051 N/A LEU 177.A N PHE 173.A O no hydrogen 2.664 N/A TYR 178.A N GLN 174.A O no hydrogen 3.050 N/A LEU 179.A N VAL 125.A O no hydrogen 3.023 N/A PHE 181.A N LEU 122.A O no hydrogen 2.988 N/A CYS 183.A N ASN 119.A OD1 no hydrogen 2.845 N/A CYS 183.A SG ASN 119.A OD1 no hydrogen 4.042 N/A CYS 183.A SG PRO 184.A O no hydrogen 3.531 N/A THR 189.A N GLY 335.A O no hydrogen 2.888 N/A THR 189.A OG1 ILE 187.A O no hydrogen 3.357 N/A LYS 190.A N ARG 83.A O no hydrogen 2.808 N/A ILE 191.A N ILE 333.A O no hydrogen 3.141 N/A CYS 192.A N ILE 85.A O no hydrogen 3.153 N/A LEU 193.A N MET 331.A O no hydrogen 2.952 N/A THR 195.A N SER 329.A O no hydrogen 2.633 N/A ARG 196.A NH1 GLU 321.A O no hydrogen 2.288 N/A TYR 201.A N ASP 91.A OD2 no hydrogen 2.912 N/A TYR 201.A OH ARG 196.A O no hydrogen 2.154 N/A LEU 202.A N ASP 91.A OD2 no hydrogen 3.164 N/A ASP 205.A N GLN 200.A OE1 no hydrogen 2.117 N/A SER 206.A N PHE 203.A O no hydrogen 3.067 N/A SER 206.A OG PHE 203.A O no hydrogen 2.570 N/A LYS 208.A N ASP 205.A O no hydrogen 3.110 N/A ASN 209.A N SER 206.A O no hydrogen 2.714 N/A ASN 209.A ND2 ASN 93.A O no hydrogen 2.754 N/A LYS 211.A N ASN 209.A OD1 no hydrogen 2.725 N/A LYS 212.A N ASN 209.A O no hydrogen 3.018 N/A LYS 212.A NZ ASP 91.A OD1 no hydrogen 3.223 N/A LYS 212.A NZ THR 92.A O no hydrogen 3.017 N/A LYS 212.A NZ SER 199.A O no hydrogen 3.165 N/A LYS 212.A NZ SER 206.A OG no hydrogen 3.144 N/A ASN 216.A N GLU 219.A OE2 no hydrogen 2.478 N/A GLU 219.A N ASN 216.A OD1 no hydrogen 2.512 N/A LEU 220.A N ASN 216.A O no hydrogen 2.957 N/A MET 221.A N GLY 217.A O no hydrogen 2.981 N/A LYS 222.A N GLU 218.A O no hydrogen 3.091 N/A LYS 222.A NZ GLU 218.A OE1 no hydrogen 3.393 N/A TRP 223.A N GLU 219.A O no hydrogen 2.930 N/A TRP 224.A N LEU 220.A O no hydrogen 2.964 N/A GLY 225.A N MET 221.A O no hydrogen 2.663 N/A PHE 226.A N LYS 222.A O no hydrogen 2.852 N/A ILE 227.A N TRP 223.A O no hydrogen 3.381 N/A LEU 228.A N TRP 224.A O no hydrogen 3.058 N/A ASP 229.A N GLY 225.A O no hydrogen 3.066 N/A ARG 230.A N PHE 226.A O no hydrogen 3.328 N/A LEU 231.A N ILE 227.A O no hydrogen 3.054 N/A LEU 232.A N LEU 228.A O no hydrogen 2.943 N/A ILE 233.A N ASP 229.A O no hydrogen 3.078 N/A GLU 234.A N ARG 230.A O no hydrogen 2.845 N/A CYS 235.A N LEU 231.A O no hydrogen 2.892 N/A PHE 236.A N LEU 232.A O no hydrogen 3.246 N/A GLN 237.A N TYR 336.A O no hydrogen 2.831 N/A GLN 237.A NE2 SER 337.A O no hydrogen 3.509 N/A THR 240.A OG1 GLN 237.A O no hydrogen 2.611 N/A GLN 241.A N SER 334.A O no hydrogen 2.818 N/A LYS 243.A N GLY 332.A O no hydrogen 2.795 N/A LYS 243.A NZ GLN 241.A OE1 no hydrogen 2.333 N/A LEU 244.A N GLN 267.A O no hydrogen 2.914 N/A ARG 245.A N VAL 330.A O no hydrogen 3.062 N/A ARG 245.A NE ASP 270.A OD2 no hydrogen 2.933 N/A ARG 245.A NH2 ASP 270.A OD2 no hydrogen 3.090 N/A ASP 250.A N GLU 249.A OE2 no hydrogen 3.283 N/A ARG 253.A NH1 GLU 249.A OE2 no hydrogen 2.487 N/A VAL 254.A N ASP 250.A O no hydrogen 3.474 N/A ARG 255.A N PRO 251.A O no hydrogen 2.766 N/A SER 256.A N ALA 252.A O no hydrogen 2.862 N/A TYR 257.A N ARG 253.A O no hydrogen 2.746 N/A LEU 258.A N VAL 254.A O no hydrogen 2.964 N/A ARG 259.A N ARG 255.A O no hydrogen 3.078 N/A GLY 260.A N TYR 257.A O no hydrogen 3.001 N/A MET 261.A N LEU 258.A O no hydrogen 2.710 N/A LYS 262.A N ASP 229.A OD2 no hydrogen 2.796 N/A TYR 263.A N ASP 229.A OD1 no hydrogen 3.022 N/A TYR 263.A OH ASN 238.A O no hydrogen 3.199 N/A TYR 263.A OH THR 240.A O no hydrogen 2.452 N/A TRP 266.A NE1 ASP 229.A OD1 no hydrogen 3.238 N/A GLN 267.A N ALA 242.A O no hydrogen 2.834 N/A GLY 269.A N LEU 244.A O no hydrogen 3.019 N/A PHE 272.A N ASP 270.A OD1 no hydrogen 3.044 N/A ASN 277.A N SER 274.A O no hydrogen 3.002 N/A ALA 280.A N VAL 307.A O no hydrogen 3.342 N/A ASN 283.A N ALA 280.A O no hydrogen 3.159 N/A ASN 283.A ND2 LEU 279.A O no hydrogen 3.558 N/A ILE 284.A N ALA 280.A O no hydrogen 3.168 N/A LEU 286.A N VAL 34.A O no hydrogen 2.937 N/A ARG 293.A N ASP 290.A O no hydrogen 3.115 N/A HIS 296.A N ALA 292.A O no hydrogen 2.887 N/A GLN 297.A N ARG 293.A O no hydrogen 3.203 N/A LEU 298.A N PHE 294.A O no hydrogen 3.084 N/A ALA 299.A N HIS 296.A O no hydrogen 2.797 N/A GLU 300.A N HIS 296.A O no hydrogen 2.951 N/A ASP 302.A N ALA 299.A O no hydrogen 3.165 N/A ARG 303.A N LEU 298.A O no hydrogen 2.737 N/A ARG 303.A NH2 GLU 315.A OE1 no hydrogen 2.257 N/A VAL 307.A N ARG 303.A O no hydrogen 3.137 N/A SER 308.A OG SER 311.A OG no hydrogen 2.940 N/A SER 311.A N SER 308.A OG no hydrogen 3.280 N/A SER 311.A OG SER 308.A OG no hydrogen 2.940 N/A PHE 312.A N SER 308.A O no hydrogen 2.691 N/A TRP 313.A N LEU 309.A O no hydrogen 3.358 N/A GLU 315.A N SER 311.A O no hydrogen 2.819 N/A LEU 316.A N PHE 312.A O no hydrogen 2.909 N/A GLN 317.A N TRP 313.A O no hydrogen 3.285 N/A GLU 318.A N GLU 315.A O no hydrogen 3.311 N/A ARG 319.A N LEU 316.A O no hydrogen 3.169 N/A PHE 322.A N ARG 319.A O no hydrogen 2.853 N/A LYS 323.A N GLU 321.A O no hydrogen 3.209 N/A SER 329.A N THR 195.A O no hydrogen 3.044 N/A VAL 330.A N ARG 245.A O no hydrogen 2.999 N/A MET 331.A N LEU 193.A O no hydrogen 2.780 N/A GLY 332.A N LYS 243.A O no hydrogen 2.880 N/A ILE 333.A N ILE 191.A O no hydrogen 3.051 N/A SER 334.A N GLN 241.A O no hydrogen 3.140 N/A GLY 335.A N THR 189.A O no hydrogen 3.177 N/A LEU 338.A N CYS 235.A O no hydrogen 2.937 N/A THR 340.A OG1 GLU 186.A OE1 no hydrogen 2.715 N/A LEU 343.A N SER 115.A O no hydrogen 3.206 N/A SER 346.A N ASP 349.A OD2 no hydrogen 3.120 N/A SER 346.A OG ASP 349.A OD2 no hydrogen 2.997 N/A VAL 350.A N SER 346.A O no hydrogen 2.687 N/A ILE 351.A N SER 23.A O no hydrogen 2.849 N/A GLN 358.A N SER 355.A OG no hydrogen 2.957 N/A PHE 359.A N SER 355.A O no hydrogen 3.059 N/A ARG 360.A N ARG 356.A O no hydrogen 2.737 N/A ALA 361.A N LYS 357.A O no hydrogen 2.972 N/A ILE 362.A N GLN 358.A O no hydrogen 3.223 N/A LYS 363.A N PHE 359.A O no hydrogen 3.252 N/A LYS 363.A NZ GLN 52.A OE1 no hydrogen 3.156 N/A LYS 363.A NZ GLU 68.A OE1 no hydrogen 3.025 N/A LYS 364.A N ARG 360.A O no hydrogen 2.951 N/A TYR 365.A N ILE 362.A O no hydrogen 3.174 N/A THR 367.A N LYS 363.A O no hydrogen 3.035 N/A THR 367.A OG1 LYS 363.A O no hydrogen 3.564 N/A GLY 368.A N LYS 364.A O no hydrogen 2.753 N/A GLU 370.A N GLU 369.A OE1 no hydrogen 2.482 N/A TYR 371.A N PRO 204.A O no hydrogen 2.908 N/A TYR 371.A OH ILE 366.A O no hydrogen 2.363 N/A GLU 375.A N THR 373.A OG1 no hydrogen 3.284 N/A GLY 376.A N THR 373.A O no hydrogen 3.186 N/A ILE 378.A N GLU 374.A O no hydrogen 3.196 N/A GLU 379.A N GLU 375.A O no hydrogen 2.926 N/A ALA 380.A N GLY 376.A O no hydrogen 3.077 N/A PHE 381.A N ALA 377.A O no hydrogen 3.398 N/A THR 382.A N ILE 378.A O no hydrogen 2.881 N/A THR 382.A OG1 ILE 378.A O no hydrogen 3.157 N/A ASN 383.A N GLU 379.A O no hydrogen 2.879 N/A ILE 384.A N ALA 380.A O no hydrogen 3.105 N/A ARG 385.A N PHE 381.A O no hydrogen 3.108 N/A ARG 385.A NE ASP 386.A OD2 no hydrogen 3.063 N/A ARG 385.A NH2 ASP 386.A OD2 no hydrogen 3.083 N/A ASP 386.A N THR 382.A O no hydrogen 2.974 N/A PHE 387.A N ASN 383.A O no hydrogen 2.694 N/A LEU 388.A N ILE 384.A O no hydrogen 3.022 N/A LEU 389.A N ARG 385.A O no hydrogen 2.988 N/A LEU 390.A N ASP 386.A O no hydrogen 2.962 N/A ARG 391.A N PHE 387.A O no hydrogen 2.826 N/A MET 392.A N LEU 388.A O no hydrogen 2.640 N/A ALA 393.A N LEU 389.A O no hydrogen 2.821 N/A THR 394.A N LEU 388.A O no hydrogen 3.337 N/A THR 394.A OG1 MET 392.A O no hydrogen 2.679 N/A GLN 397.A N TYR 21.A O no hydrogen 3.134 N/A GLN 397.A NE2 ALA 348.A O no hydrogen 3.173 N/A SER 398.A N GLN 397.A OE1 no hydrogen 2.891 N/A LEU 399.A N PHE 19.A O no hydrogen 3.066 N/A THR 400.A OG1 GLN 18.A OE1 no hydrogen 2.419 N/A GLY 401.A N GLU 17.A O no hydrogen 2.870 N/A LYS 402.A N SER 10.A O no hydrogen 2.893 N/A ARG 403.A N LEU 13.A O no hydrogen 2.968 N/A ARG 403.A NH1 ASP 104.A OD2 no hydrogen 3.342 N/A ARG 403.A NH2 ASP 104.A OD2 no hydrogen 3.342 N/A