Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wfx_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG PHE 3.A O no hydrogen 3.885 N/A PHE 3.A N CYS 308.A O no hydrogen 2.837 N/A CYS 4.A N VAL 337.A O no hydrogen 3.191 N/A GLN 6.A N LYS 335.A O no hydrogen 2.895 N/A VAL 8.A N LEU 333.A O no hydrogen 2.757 N/A LEU 12.A N GLY 331.A O no hydrogen 2.781 N/A ARG 13.A N GLU 32.A OE1 no hydrogen 2.981 N/A ARG 13.A NH2 GLU 32.A OE2 no hydrogen 3.336 N/A VAL 16.A N LEU 31.A O no hydrogen 2.970 N/A ALA 18.A N PHE 314.A O no hydrogen 3.333 N/A LEU 19.A N PHE 29.A O no hydrogen 3.078 N/A SER 21.A OG ASP 23.A OD1 no hydrogen 2.814 N/A GLY 24.A N GLU 318.A OE2 no hydrogen 2.764 N/A SER 25.A N ASP 23.A OD1 no hydrogen 3.109 N/A SER 25.A OG ASP 23.A OD1 no hydrogen 2.658 N/A GLN 26.A N GLU 318.A OE1 no hydrogen 2.835 N/A GLN 26.A NE2 ALA 350.A O no hydrogen 2.661 N/A ARG 27.A N SER 25.A OG no hydrogen 3.388 N/A ARG 27.A NE SER 25.A OG no hydrogen 2.879 N/A ARG 27.A NH1 ASP 23.A OD2 no hydrogen 3.169 N/A ARG 27.A NH2 PRO 106.A O no hydrogen 2.923 N/A ARG 27.A NH2 HIS 107.A ND1 no hydrogen 3.097 N/A LEU 28.A N LEU 40.A O no hydrogen 2.785 N/A PHE 29.A N LEU 19.A O no hydrogen 2.894 N/A ILE 30.A N LYS 38.A O no hydrogen 2.836 N/A LEU 31.A N GLY 17.A O no hydrogen 2.964 N/A GLU 32.A N TYR 36.A O no hydrogen 2.833 N/A LYS 33.A N GLN 14.A O no hydrogen 2.737 N/A LYS 33.A NZ ASP 64.A O no hydrogen 3.206 N/A LYS 33.A NZ ARG 66.A O no hydrogen 2.709 N/A GLY 35.A N GLU 32.A O no hydrogen 2.839 N/A TYR 36.A N GLU 32.A O no hydrogen 3.401 N/A LYS 38.A N ILE 30.A O no hydrogen 3.015 N/A LYS 38.A NZ GLU 32.A OE1 no hydrogen 3.220 N/A THR 41.A N GLU 45.A O no hydrogen 2.840 N/A THR 41.A OG1 GLU 45.A O no hydrogen 3.321 N/A GLY 44.A N THR 41.A O no hydrogen 2.866 N/A GLU 45.A N THR 41.A OG1 no hydrogen 2.922 N/A PHE 47.A N ILE 39.A O no hydrogen 3.275 N/A TYR 51.A N VAL 37.A O no hydrogen 2.713 N/A TYR 51.A OH TYR 77.A OH no hydrogen 2.691 N/A ILE 54.A N GLY 35.A O no hydrogen 3.108 N/A HIS 55.A ND1 ASP 53.A OD2 no hydrogen 2.867 N/A LEU 57.A N ILE 54.A O no hydrogen 2.894 N/A VAL 58.A N ILE 54.A O no hydrogen 3.068 N/A GLN 59.A N THR 88.A O no hydrogen 3.016 N/A GLU 65.A N ARG 125.A O no hydrogen 2.974 N/A ARG 66.A N ASP 64.A OD2 no hydrogen 3.216 N/A ARG 66.A NE ASP 64.A OD2 no hydrogen 2.950 N/A ARG 66.A NH1 ASP 64.A OD1 no hydrogen 2.795 N/A GLY 67.A N THR 88.A OG1 no hydrogen 2.800 N/A LEU 68.A N LYS 33.A O no hydrogen 2.872 N/A LEU 69.A N SER 86.A O no hydrogen 3.116 N/A SER 70.A N SER 86.A OG no hydrogen 3.161 N/A SER 70.A OG LEU 132.A O no hydrogen 3.527 N/A ALA 72.A N TYR 84.A O no hydrogen 2.785 N/A HIS 74.A N LYS 82.A O no hydrogen 3.034 N/A HIS 74.A NE2 ASP 173.A OD1 no hydrogen 2.713 N/A ASN 76.A N HIS 74.A ND1 no hydrogen 2.926 N/A TYR 77.A N HIS 74.A O no hydrogen 2.636 N/A TYR 77.A OH TYR 51.A OH no hydrogen 2.691 N/A LYS 79.A N ASN 76.A O no hydrogen 2.718 N/A ASN 80.A N ASN 76.A O no hydrogen 2.875 N/A ASN 80.A ND2 HIS 74.A ND1 no hydrogen 3.035 N/A ASN 80.A ND2 PRO 373.A O no hydrogen 3.003 N/A GLY 81.A N TYR 77.A O no hydrogen 2.845 N/A LYS 82.A N ASN 80.A OD1 no hydrogen 2.731 N/A LYS 82.A NZ GLU 98.A OE2 no hydrogen 3.344 N/A LYS 82.A NZ THR 100.A OG1 no hydrogen 2.763 N/A LYS 82.A NZ CYS 371.A O no hydrogen 2.782 N/A LEU 83.A N TYR 99.A O no hydrogen 3.150 N/A TYR 84.A N ALA 72.A O no hydrogen 3.019 N/A TYR 84.A OH GLU 98.A OE1 no hydrogen 3.429 N/A VAL 85.A N VAL 97.A O no hydrogen 2.955 N/A SER 86.A N SER 70.A O no hydrogen 3.028 N/A SER 86.A OG GLY 130.A O no hydrogen 3.089 N/A TYR 87.A N ARG 95.A O no hydrogen 2.974 N/A THR 88.A N GLY 67.A O no hydrogen 3.242 N/A THR 88.A OG1 GLN 59.A O no hydrogen 3.142 N/A THR 89.A N ILE 93.A O no hydrogen 2.767 N/A THR 89.A OG1 LEU 57.A O no hydrogen 2.657 N/A THR 89.A OG1 ASN 90.A O no hydrogen 3.518 N/A HIS 92.A N GLU 122.A O no hydrogen 3.412 N/A HIS 92.A NE2 HIS 124.A O no hydrogen 3.153 N/A LEU 94.A N VAL 120.A O no hydrogen 2.706 N/A ARG 95.A N TYR 87.A O no hydrogen 2.768 N/A VAL 96.A N LEU 118.A O no hydrogen 2.833 N/A VAL 97.A N VAL 85.A O no hydrogen 2.888 N/A GLU 98.A N ARG 115.A O no hydrogen 2.789 N/A TYR 99.A N LEU 83.A O no hydrogen 2.856 N/A VAL 101.A N GLY 81.A O no hydrogen 3.198 N/A SER 102.A N GLN 108.A O no hydrogen 2.995 N/A SER 102.A OG ASN 105.A O no hydrogen 2.756 N/A SER 102.A OG GLN 108.A O no hydrogen 2.963 N/A ASN 105.A N SER 102.A OG no hydrogen 2.878 N/A HIS 107.A N ASN 105.A OD1 no hydrogen 3.084 N/A GLN 108.A N ASN 105.A O no hydrogen 3.032 N/A VAL 109.A N TYR 51.A O no hydrogen 2.944 N/A ASP 110.A N THR 100.A O no hydrogen 3.022 N/A ARG 112.A N ASP 110.A OD2 no hydrogen 3.058 N/A THR 113.A N ASP 110.A O no hydrogen 3.316 N/A THR 113.A OG1 THR 100.A O no hydrogen 3.300 N/A THR 113.A OG1 ASP 110.A O no hydrogen 2.602 N/A ARG 115.A NE GLU 98.A OE2 no hydrogen 3.371 N/A ARG 115.A NH2 GLU 98.A OE1 no hydrogen 2.872 N/A PHE 117.A N VAL 96.A O no hydrogen 2.832 N/A LEU 118.A N VAL 96.A O no hydrogen 3.183 N/A VAL 120.A N LEU 94.A O no hydrogen 2.738 N/A GLU 122.A N HIS 92.A O no hydrogen 3.175 N/A ARG 125.A NH2 ASP 91.A OD1 no hydrogen 2.911 N/A HIS 127.A N GLU 65.A OE1 no hydrogen 2.996 N/A HIS 127.A ND1 ASP 146.A OD1 no hydrogen 2.969 N/A LEU 128.A N GLU 65.A OE2 no hydrogen 3.089 N/A GLN 131.A NE2 CYS 210.A O no hydrogen 2.968 N/A LEU 132.A N SER 70.A OG no hydrogen 2.794 N/A LEU 133.A N TYR 141.A O no hydrogen 3.155 N/A GLY 135.A N PHE 139.A O no hydrogen 2.989 N/A GLY 138.A N GLY 135.A O no hydrogen 2.706 N/A LEU 140.A N LEU 170.A O no hydrogen 2.908 N/A TYR 141.A N LEU 133.A O no hydrogen 2.726 N/A ILE 142.A N LEU 168.A O no hydrogen 2.876 N/A ILE 143.A N GLN 131.A O no hydrogen 2.916 N/A LEU 144.A N SER 166.A O no hydrogen 3.134 N/A GLY 145.A N LEU 128.A O no hydrogen 2.783 N/A ASP 146.A N HIS 205.A O no hydrogen 2.965 N/A GLY 147.A N HIS 127.A O no hydrogen 2.679 N/A MET 148.A N ASP 146.A OD1 no hydrogen 3.424 N/A ILE 149.A N ASP 146.A O no hydrogen 3.058 N/A THR 150.A N ASP 153.A OD2 no hydrogen 3.112 N/A ASP 153.A N THR 150.A OG1 no hydrogen 3.182 N/A MET 154.A N THR 150.A O no hydrogen 3.320 N/A GLU 155.A N ASP 152.A O no hydrogen 3.065 N/A GLU 156.A N ASP 152.A O no hydrogen 3.004 N/A GLU 156.A N ASP 153.A O no hydrogen 3.245 N/A PHE 163.A N SER 161.A OG no hydrogen 3.240 N/A GLY 165.A N GLY 145.A O no hydrogen 2.788 N/A SER 166.A N PHE 163.A O no hydrogen 3.315 N/A SER 166.A OG PHE 163.A O no hydrogen 2.683 N/A VAL 167.A N ALA 201.A O no hydrogen 2.663 N/A LEU 168.A N ILE 142.A O no hydrogen 2.914 N/A ARG 169.A N GLU 198.A O no hydrogen 2.973 N/A ARG 169.A NH1 ASN 187.A OD1 no hydrogen 3.190 N/A LEU 170.A N LEU 140.A O no hydrogen 3.009 N/A ASP 171.A N SER 182.A O no hydrogen 2.771 N/A ASP 173.A N ASP 171.A OD1 no hydrogen 2.854 N/A THR 174.A OG1 MET 176.A O no hydrogen 3.497 N/A TYR 181.A OH GLU 198.A OE1 no hydrogen 2.793 N/A SER 182.A N ASP 171.A O no hydrogen 2.960 N/A SER 182.A OG ASP 171.A O no hydrogen 3.459 N/A ASN 187.A N PRO 184.A O no hydrogen 2.878 N/A ASN 187.A ND2 ARG 169.A O no hydrogen 2.847 N/A ASN 187.A ND2 PRO 197.A O no hydrogen 3.031 N/A HIS 189.A NE2 GLU 249.A OE1 no hydrogen 2.664 N/A PHE 190.A N ASN 187.A O no hydrogen 3.482 N/A VAL 199.A N PRO 196.A O no hydrogen 3.172 N/A PHE 200.A N VAL 167.A O no hydrogen 3.023 N/A ALA 201.A N VAL 167.A O no hydrogen 3.508 N/A HIS 202.A ND1 GLU 249.A OE2 no hydrogen 2.609 N/A GLY 203.A N GLY 165.A O no hydrogen 2.852 N/A LEU 204.A N GLY 165.A O no hydrogen 2.888 N/A HIS 205.A N ASP 229.A OD2 no hydrogen 2.843 N/A HIS 205.A ND1 ASP 146.A OD2 no hydrogen 3.009 N/A ASP 206.A N ASP 229.A OD1 no hydrogen 2.850 N/A ARG 209.A N VAL 264.A O no hydrogen 3.057 N/A ARG 209.A NH1 GLY 266.A O no hydrogen 3.301 N/A CYS 210.A N GLN 131.A OE1 no hydrogen 2.904 N/A CYS 210.A SG GLY 208.A O no hydrogen 3.678 N/A ALA 211.A N LEU 226.A O no hydrogen 2.712 N/A ASP 213.A N THR 224.A O no hydrogen 3.074 N/A ARG 214.A NH1 PHE 134.A O no hydrogen 3.106 N/A ARG 214.A NH2 PHE 134.A O no hydrogen 2.841 N/A HIS 215.A N ASP 213.A OD2 no hydrogen 3.032 N/A ASN 220.A N ASP 218.A OD1 no hydrogen 2.872 N/A ILE 221.A N ASP 218.A O no hydrogen 3.103 N/A ASN 222.A N ILE 240.A O no hydrogen 3.157 N/A THR 224.A N ASP 213.A O no hydrogen 3.286 N/A ILE 225.A N LEU 238.A O no hydrogen 3.045 N/A LEU 226.A N ALA 211.A O no hydrogen 2.876 N/A CYS 227.A N ARG 236.A O no hydrogen 2.824 N/A SER 230.A N ASP 206.A O no hydrogen 3.464 N/A ASN 231.A N ASP 229.A OD1 no hydrogen 2.886 N/A ARG 236.A NH1 ASP 229.A OD2 no hydrogen 3.552 N/A ARG 236.A NH1 ASN 231.A OD1 no hydrogen 3.550 N/A ILE 237.A N LEU 253.A O no hydrogen 2.912 N/A LEU 238.A N ILE 225.A O no hydrogen 2.699 N/A ILE 240.A N LEU 223.A O no hydrogen 3.102 N/A ILE 241.A N TYR 246.A OH no hydrogen 2.741 N/A LYS 242.A N ASN 220.A O no hydrogen 2.957 N/A LYS 244.A N ILE 241.A O no hydrogen 3.407 N/A SER 251.A OG LEU 252.A O no hydrogen 3.464 N/A LEU 253.A N ILE 237.A O no hydrogen 2.971 N/A PHE 255.A N ALA 235.A O no hydrogen 3.154 N/A VAL 264.A N GLY 284.A O no hydrogen 2.989 N/A GLY 266.A N ARG 209.A O no hydrogen 2.956 N/A PHE 267.A N VAL 282.A O no hydrogen 3.106 N/A TYR 269.A N SER 280.A O no hydrogen 3.220 N/A TYR 269.A OH GLU 321.A OE1 no hydrogen 2.802 N/A CYS 272.A N GLU 321.A OE2 no hydrogen 3.163 N/A GLN 273.A N GLU 321.A OE2 no hydrogen 2.937 N/A GLN 273.A NE2 PRO 342.A O no hydrogen 2.562 N/A SER 274.A N TYR 269.A OH no hydrogen 3.025 N/A SER 274.A OG ASP 338.A OD2 no hydrogen 2.826 N/A ARG 276.A NE ASP 338.A OD1 no hydrogen 2.783 N/A ARG 276.A NE ASP 338.A OD2 no hydrogen 2.939 N/A ARG 276.A NH2 ASP 338.A OD1 no hydrogen 2.709 N/A TYR 278.A N GLU 275.A O no hydrogen 3.344 N/A GLY 279.A N TYR 269.A O no hydrogen 2.801 N/A SER 280.A N LEU 277.A O no hydrogen 2.960 N/A SER 280.A OG LEU 277.A O no hydrogen 3.328 N/A TYR 281.A N LEU 293.A O no hydrogen 3.068 N/A VAL 282.A N PHE 267.A O no hydrogen 2.836 N/A PHE 283.A N LEU 291.A O no hydrogen 3.184 N/A GLY 284.A N GLY 265.A O no hydrogen 3.181 N/A ASP 285.A N ASN 289.A O no hydrogen 3.055 N/A ASN 287.A N ASP 285.A OD1 no hydrogen 3.224 N/A GLY 288.A N ASP 285.A O no hydrogen 3.118 N/A GLY 288.A N ASP 285.A OD1 no hydrogen 3.243 N/A ASN 289.A N ASP 285.A OD1 no hydrogen 2.948 N/A LEU 291.A N PHE 283.A O no hydrogen 2.887 N/A THR 292.A N LYS 305.A O no hydrogen 2.817 N/A THR 292.A OG1 TYR 281.A O no hydrogen 3.522 N/A LEU 293.A N TYR 281.A O no hydrogen 3.032 N/A GLN 295.A NE2 LYS 300.A O no hydrogen 3.242 N/A THR 299.A OG1 VAL 298.A O no hydrogen 2.422 N/A LYS 300.A NZ ASP 218.A OD2 no hydrogen 3.490 N/A GLN 301.A NE2 THR 299.A O no hydrogen 2.822 N/A GLN 303.A N GLN 294.A O no hydrogen 3.217 N/A LYS 305.A N THR 292.A O no hydrogen 3.144 N/A LYS 305.A NZ THR 292.A O no hydrogen 3.491 N/A LYS 305.A NZ THR 292.A OG1 no hydrogen 3.325 N/A LEU 307.A N PHE 290.A O no hydrogen 3.011 N/A ILE 311.A N ARG 286.A O no hydrogen 3.151 N/A LEU 312.A N LEU 325.A O no hydrogen 2.766 N/A GLY 313.A N LEU 325.A O no hydrogen 3.379 N/A GLY 315.A N TYR 323.A O no hydrogen 2.903 N/A GLU 316.A N ALA 18.A O no hydrogen 3.081 N/A ASP 317.A N GLU 321.A O no hydrogen 2.967 N/A LEU 319.A N ASP 317.A OD2 no hydrogen 3.155 N/A GLY 320.A N ASP 317.A O no hydrogen 3.018 N/A TYR 323.A N GLY 315.A O no hydrogen 2.833 N/A TYR 323.A OH ASP 317.A OD1 no hydrogen 2.663 N/A ILE 324.A N TYR 334.A O no hydrogen 2.587 N/A LEU 325.A N GLY 313.A O no hydrogen 2.828 N/A SER 326.A N LYS 332.A O no hydrogen 3.009 N/A SER 327.A N HIS 310.A O no hydrogen 2.836 N/A LYS 332.A N SER 326.A O no hydrogen 2.781 N/A LEU 333.A N VAL 9.A O no hydrogen 3.043 N/A TYR 334.A N ILE 324.A O no hydrogen 2.746 N/A LYS 335.A N GLN 6.A O no hydrogen 2.762 N/A ILE 336.A N VAL 322.A O no hydrogen 3.187 N/A VAL 337.A N CYS 4.A O no hydrogen 2.840 N/A ASP 338.A N GLN 273.A OE1 no hydrogen 2.993 N/A LYS 340.A N ASP 338.A OD1 no hydrogen 3.388 N/A ARG 341.A N ASP 338.A O no hydrogen 2.888 N/A ARG 341.A NE GLN 273.A O no hydrogen 3.207 N/A ARG 341.A NH1 GLU 347.A OE1 no hydrogen 3.542 N/A ARG 341.A NH2 CYS 272.A O no hydrogen 2.906 N/A ARG 341.A NH2 GLU 347.A OE1 no hydrogen 2.863 N/A CYS 348.A N PRO 345.A O no hydrogen 2.757 N/A ARG 349.A N GLU 346.A O no hydrogen 3.442 N/A GLN 353.A N GLY 24.A O no hydrogen 2.695 N/A GLN 356.A NE2 PRO 354.A O no hydrogen 3.638 N/A SER 360.A OG SER 363.A OG no hydrogen 2.693 N/A SER 363.A OG SER 360.A O no hydrogen 3.105 N/A SER 363.A OG SER 360.A OG no hydrogen 2.693 N/A ARG 364.A N GLU 361.A O no hydrogen 3.117 N/A ARG 364.A NE THR 359.A O no hydrogen 3.131 N/A ARG 364.A NH2 THR 359.A O no hydrogen 2.803 N/A LEU 365.A N GLU 361.A O no hydrogen 3.096 N/A LEU 365.A N CYS 362.A O no hydrogen 3.220 N/A CYS 366.A SG GLY 369.A O no hydrogen 4.042 N/A CYS 366.A SG TYR 370.A O no hydrogen 3.759 N/A THR 372.A N LYS 376.A O no hydrogen 2.777 N/A THR 372.A OG1 THR 174.A O no hydrogen 3.463 N/A THR 372.A OG1 THR 374.A OG1 no hydrogen 2.956 N/A THR 372.A OG1 LYS 376.A O no hydrogen 3.320 N/A THR 374.A OG1 THR 174.A O no hydrogen 3.144 N/A THR 374.A OG1 ASP 175.A OD1 no hydrogen 2.862 N/A THR 374.A OG1 THR 372.A OG1 no hydrogen 2.956 N/A GLY 375.A N THR 372.A O no hydrogen 2.807 N/A LYS 376.A N THR 372.A OG1 no hydrogen 3.116 N/A LYS 376.A NZ ASP 175.A O no hydrogen 2.703 N/A CYS 378.A N TYR 370.A O no hydrogen 2.968 N/A CYS 378.A SG MET 176.A O no hydrogen 3.630 N/A CYS 378.A SG TYR 370.A OH no hydrogen 3.880 N/A CYS 379.A SG CYS 377.A O no hydrogen 3.926 N/A CYS 379.A SG GLY 385.A O no hydrogen 3.476 N/A SER 380.A N ASN 368.A O no hydrogen 3.208 N/A GLU 384.A N THR 390.A O no hydrogen 3.021 N/A CYS 388.A N GLY 385.A O no hydrogen 3.151 N/A CYS 388.A SG ASN 368.A O no hydrogen 3.597 N/A CYS 388.A SG CYS 377.A O no hydrogen 3.850 N/A ARG 389.A NH2 LEU 365.A O no hydrogen 3.224 N/A LYS 392.A N GLY 382.A O no hydrogen 3.352 N/A LYS 392.A NZ TRP 383.A O no hydrogen 3.473 N/A ARG 398.A N GLN 416.A O no hydrogen 3.331 N/A GLY 401.A N LEU 410.A O no hydrogen 3.299 N/A CYS 403.A SG LYS 392.A O no hydrogen 3.281 N/A ASN 407.A ND2 GLU 394.A O no hydrogen 2.744 N/A LYS 408.A N ARG 405.A O no hydrogen 2.932 N/A CYS 411.A SG GLY 414.A O no hydrogen 3.968 N/A CYS 417.A SG HIS 399.A O no hydrogen 3.517 N/A GLU 418.A N LEU 413.A O no hydrogen 2.974 N/A