Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cxl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ALA 166.A O no hydrogen 3.074 N/A LYS 4.A NZ CYS 165.A O no hydrogen 2.975 N/A GLN 9.A N SER 5.A O no hydrogen 2.861 N/A LEU 10.A N TYR 6.A O no hydrogen 2.939 N/A GLN 11.A N LEU 7.A O no hydrogen 3.208 N/A GLN 12.A N TYR 8.A O no hydrogen 3.175 N/A GLU 13.A N GLN 9.A O no hydrogen 3.061 N/A ALA 14.A N LEU 10.A O no hydrogen 2.944 N/A ALA 14.A N GLN 11.A O no hydrogen 3.231 N/A ARG 18.A N GLY 55.A O no hydrogen 3.038 N/A ILE 20.A N TYR 57.A O no hydrogen 3.104 N/A CYS 22.A N ARG 35.A O no hydrogen 2.784 N/A ARG 29.A NH1 TYR 33.A O no hydrogen 2.904 N/A TYR 33.A N PRO 30.A O no hydrogen 3.059 N/A GLY 34.A N GLU 36.A OE2 no hydrogen 3.496 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.684 N/A PHE 37.A N GLY 34.A O no hydrogen 2.882 N/A HIS 38.A N ILE 59.A O no hydrogen 2.959 N/A HIS 38.A ND1 GLU 36.A O no hydrogen 2.463 N/A GLU 44.A N GLU 44.A OE1 no hydrogen 2.757 N/A ALA 45.A N SER 42.A OG no hydrogen 3.091 N/A ALA 46.A N SER 42.A O no hydrogen 2.894 N/A ASP 47.A N ARG 43.A O no hydrogen 2.617 N/A GLN 48.A N GLU 44.A O no hydrogen 2.922 N/A LEU 49.A N ALA 45.A O no hydrogen 3.251 N/A LEU 49.A N ALA 46.A O no hydrogen 3.189 N/A LEU 50.A N ALA 46.A O no hydrogen 2.932 N/A ILE 51.A N ASP 47.A O no hydrogen 3.083 N/A GLY 55.A N ARG 74.A O no hydrogen 2.643 N/A SER 56.A N ALA 53.A O no hydrogen 3.318 N/A SER 56.A OG ALA 53.A O no hydrogen 2.756 N/A TYR 57.A N ARG 18.A O no hydrogen 2.990 N/A LEU 58.A N ALA 72.A O no hydrogen 3.040 N/A ILE 59.A N GLU 36.A O no hydrogen 3.172 N/A ARG 60.A N THR 70.A O no hydrogen 2.917 N/A GLU 61.A N GLY 39.A O no hydrogen 2.827 N/A SER 62.A N THR 68.A O no hydrogen 2.757 N/A GLN 65.A N SER 62.A OG no hydrogen 2.869 N/A GLY 67.A N GLU 61.A OE2 no hydrogen 3.042 N/A THR 70.A N ARG 60.A O no hydrogen 2.708 N/A LEU 71.A N PHE 82.A O no hydrogen 2.874 N/A ALA 72.A N LEU 58.A O no hydrogen 2.951 N/A LEU 73.A N ARG 80.A O no hydrogen 2.899 N/A ARG 74.A N SER 56.A O no hydrogen 2.804 N/A PHE 75.A N GLN 78.A O no hydrogen 3.038 N/A GLY 76.A N GLU 54.A OE2 no hydrogen 2.679 N/A SER 77.A N GLU 54.A OE1 no hydrogen 3.514 N/A THR 79.A OG1 ASP 47.A OD1 no hydrogen 2.674 N/A ARG 80.A N LEU 73.A O no hydrogen 2.818 N/A ARG 80.A NE GLN 78.A OE1 no hydrogen 3.217 N/A PHE 82.A N LEU 71.A O no hydrogen 2.799 N/A LEU 84.A N TYR 69.A O no hydrogen 3.069 N/A TYR 85.A N PHE 91.A O no hydrogen 2.979 N/A ASP 87.A N LYS 89.A O no hydrogen 3.272 N/A HIS 90.A N PHE 97.A O no hydrogen 2.864 N/A PHE 91.A N TYR 85.A O no hydrogen 3.185 N/A LYS 95.A NZ ASP 106.A OD1 no hydrogen 3.015 N/A LYS 95.A NZ ASP 106.A OD2 no hydrogen 2.803 N/A LYS 95.A NZ ILE 173.A O no hydrogen 2.893 N/A ARG 96.A NH1 ASP 87.A OD1 no hydrogen 3.438 N/A PHE 97.A N HIS 90.A O no hydrogen 2.737 N/A LEU 103.A N SER 99.A O no hydrogen 3.037 N/A VAL 104.A N ILE 100.A O no hydrogen 2.696 N/A THR 105.A N HIS 101.A O no hydrogen 2.954 N/A THR 105.A OG1 HIS 101.A O no hydrogen 2.508 N/A ASP 106.A N ASP 102.A O no hydrogen 2.848 N/A GLY 107.A N LEU 103.A O no hydrogen 2.784 N/A LEU 108.A N VAL 104.A O no hydrogen 2.882 N/A ILE 109.A N THR 105.A O no hydrogen 3.148 N/A THR 110.A N ASP 106.A O no hydrogen 2.970 N/A THR 110.A OG1 ASP 106.A O no hydrogen 3.195 N/A LEU 111.A N GLY 107.A O no hydrogen 2.975 N/A TYR 112.A N LEU 108.A O no hydrogen 2.981 N/A TYR 112.A OH GLU 13.A OE1 no hydrogen 2.803 N/A ILE 113.A N ILE 109.A O no hydrogen 3.003 N/A GLU 114.A N THR 110.A O no hydrogen 2.836 N/A THR 115.A N LEU 111.A O no hydrogen 2.950 N/A THR 115.A OG1 LEU 111.A O no hydrogen 2.599 N/A LYS 116.A N TYR 112.A O no hydrogen 2.921 N/A LYS 116.A NZ TYR 6.A OH no hydrogen 2.769 N/A ALA 117.A N ILE 113.A O no hydrogen 2.894 N/A TYR 120.A OH ASN 167.A OD1 no hydrogen 2.597 N/A ILE 121.A N ALA 117.A O no hydrogen 2.706 N/A ALA 122.A N ALA 118.A O no hydrogen 2.812 N/A LYS 123.A N GLU 119.A O no hydrogen 2.882 N/A LYS 123.A NZ GLU 119.A OE2 no hydrogen 3.468 N/A MET 124.A N ILE 121.A O no hydrogen 3.340 N/A ILE 126.A N LYS 123.A O no hydrogen 3.230 N/A ILE 129.A N TYR 164.A O no hydrogen 3.022 N/A TYR 130.A OH ASP 197.A OD1 no hydrogen 2.543 N/A TYR 130.A OH ASP 197.A OD2 no hydrogen 3.048 N/A HIS 132.A N ILE 129.A O no hydrogen 2.858 N/A VAL 133.A N ILE 129.A O no hydrogen 2.876 N/A TYR 135.A OH ASP 263.A OD2 no hydrogen 2.555 N/A THR 136.A N PRO 140.A O no hydrogen 3.044 N/A PRO 140.A N THR 136.A O no hydrogen 2.986 N/A GLU 144.A N VAL 141.A O no hydrogen 2.857 N/A HIS 149.A NE2 ASP 197.A OD1 no hydrogen 3.060 N/A LYS 152.A N LYS 178.A O no hydrogen 2.982 N/A HIS 154.A N GLY 176.A O no hydrogen 2.971 N/A PHE 156.A N GLN 175.A OE1 no hydrogen 3.304 N/A HIS 160.A ND1 GLY 158.A O no hydrogen 2.692 N/A TRP 161.A NE1 LYS 4.A O no hydrogen 2.891 N/A CYS 162.A N ASN 167.A O no hydrogen 2.829 N/A CYS 162.A SG HIS 187.A ND1 no hydrogen 3.317 N/A GLU 163.A N ASN 185.A O no hydrogen 2.761 N/A CYS 165.A SG HIS 187.A ND1 no hydrogen 3.554 N/A ALA 166.A N CYS 162.A O no hydrogen 2.843 N/A ASN 167.A ND2 CYS 165.A O no hydrogen 3.081 N/A MET 169.A N HIS 160.A O no hydrogen 3.238 N/A GLY 171.A N GLN 11.A OE1 no hydrogen 2.795 N/A LEU 172.A N ASP 106.A OD1 no hydrogen 2.793 N/A ALA 174.A N THR 155.A OG1 no hydrogen 3.128 N/A GLN 175.A N GLN 175.A OE1 no hydrogen 2.812 N/A VAL 177.A N VAL 186.A O no hydrogen 2.932 N/A LYS 178.A N LYS 152.A O no hydrogen 2.829 N/A LYS 178.A NZ GLY 183.A O no hydrogen 2.763 N/A LYS 178.A NZ ASN 185.A OD1 no hydrogen 2.395 N/A CYS 179.A N LEU 184.A O no hydrogen 3.058 N/A CYS 179.A SG HIS 149.A ND1 no hydrogen 3.598 N/A CYS 179.A SG ASN 150.A O no hydrogen 3.941 N/A ALA 180.A N ASN 150.A O no hydrogen 3.124 N/A CYS 182.A SG HIS 149.A ND1 no hydrogen 3.472 N/A GLY 183.A N CYS 179.A O no hydrogen 2.999 N/A ASN 185.A N GLU 163.A OE2 no hydrogen 2.463 N/A VAL 186.A N VAL 177.A O no hydrogen 3.172 N/A HIS 187.A NE2 PHE 168.A O no hydrogen 3.186 N/A CYS 190.A SG HIS 187.A ND1 no hydrogen 3.624 N/A SER 191.A N HIS 187.A O no hydrogen 2.783 N/A SER 191.A N LYS 188.A O no hydrogen 3.199 N/A SER 191.A OG LYS 188.A O no hydrogen 2.435 N/A LYS 192.A N GLN 189.A O no hydrogen 3.356 N/A MET 193.A N CYS 190.A O no hydrogen 2.922 N/A CYS 198.A N LYS 147.A O no hydrogen 3.145 N/A CYS 198.A SG HIS 149.A ND1 no hydrogen 3.436 N/A LEU 202.A N LYS 199.A O no hydrogen 2.962 N/A LYS 203.A N PRO 200.A O no hydrogen 3.231 N/A HIS 204.A N ASP 201.A O no hydrogen 3.084 N/A VAL 205.A N LEU 202.A O no hydrogen 3.287 N/A LYS 207.A NZ GLU 163.A OE1 no hydrogen 2.698 N/A VAL 208.A N ASP 263.A OD1 no hydrogen 2.855 N/A TYR 209.A N ASP 263.A OD1 no hydrogen 2.904 N/A TYR 209.A OH ALA 285.A O no hydrogen 2.999 N/A CYS 211.A SG ASP 212.A O no hydrogen 3.803 N/A THR 215.A N ASP 212.A OD2 no hydrogen 3.288 N/A THR 215.A OG1 ASP 212.A OD2 no hydrogen 2.764 N/A LEU 216.A N ASP 212.A O no hydrogen 2.888 N/A VAL 217.A N LEU 213.A O no hydrogen 3.068 N/A LYS 218.A N THR 214.A O no hydrogen 3.132 N/A ALA 219.A N THR 215.A O no hydrogen 3.058 N/A HIS 220.A N LEU 216.A O no hydrogen 3.148 N/A THR 221.A N VAL 217.A O no hydrogen 2.810 N/A ARG 224.A NE ASP 229.A OD1 no hydrogen 3.117 N/A ARG 224.A NH2 ASP 229.A OD1 no hydrogen 3.291 N/A VAL 228.A N PRO 225.A O no hydrogen 2.833 N/A ASP 229.A N PRO 225.A O no hydrogen 3.072 N/A MET 230.A N MET 226.A O no hydrogen 3.092 N/A CYS 231.A N VAL 227.A O no hydrogen 3.129 N/A CYS 231.A SG VAL 227.A O no hydrogen 3.415 N/A ILE 232.A N VAL 228.A O no hydrogen 3.113 N/A ARG 233.A N ASP 229.A O no hydrogen 2.828 N/A GLU 234.A N MET 230.A O no hydrogen 2.799 N/A ILE 235.A N CYS 231.A O no hydrogen 2.730 N/A GLU 236.A N ILE 232.A O no hydrogen 3.062 N/A SER 237.A N ARG 233.A O no hydrogen 2.938 N/A ARG 238.A N GLU 234.A O no hydrogen 3.262 N/A ARG 238.A NE GLU 234.A OE2 no hydrogen 3.123 N/A ARG 238.A NH1 TYR 276.A O no hydrogen 2.804 N/A ARG 238.A NH2 ILE 271.A O no hydrogen 3.077 N/A ARG 238.A NH2 TYR 276.A O no hydrogen 3.004 N/A GLY 239.A N ILE 235.A O no hydrogen 3.141 N/A GLY 244.A N ASN 354.A O no hydrogen 3.292 N/A TYR 246.A OH HIS 343.A NE2 no hydrogen 2.654 N/A ARG 247.A N GLY 244.A O no hydrogen 3.121 N/A VAL 248.A N GLY 244.A O no hydrogen 2.678 N/A ILE 255.A N PHE 251.A O no hydrogen 3.063 N/A GLU 256.A N SER 252.A O no hydrogen 3.061 N/A ASP 257.A N ASP 253.A O no hydrogen 3.148 N/A VAL 258.A N LEU 254.A O no hydrogen 2.974 N/A LYS 259.A N ILE 255.A O no hydrogen 2.997 N/A LYS 259.A NZ ASP 292.A OD2 no hydrogen 2.421 N/A MET 260.A N GLU 256.A O no hydrogen 2.706 N/A ALA 261.A N ASP 257.A O no hydrogen 2.655 N/A PHE 262.A N VAL 258.A O no hydrogen 2.912 N/A ASP 263.A N LYS 259.A O no hydrogen 3.034 N/A ARG 264.A N MET 260.A O no hydrogen 3.051 N/A ASP 265.A N ALA 261.A O no hydrogen 3.019 N/A GLY 266.A N PHE 262.A O no hydrogen 3.076 N/A LYS 268.A N ASP 265.A O no hydrogen 3.308 N/A ALA 269.A N GLY 266.A O no hydrogen 3.000 N/A SER 272.A N ASP 270.A OD1 no hydrogen 3.035 N/A SER 272.A OG ASP 270.A OD1 no hydrogen 3.119 N/A MET 275.A N SER 272.A O no hydrogen 3.071 N/A MET 275.A N SER 272.A OG no hydrogen 3.379 N/A TYR 276.A N SER 272.A O no hydrogen 2.996 N/A ASN 280.A N ASP 278.A OD1 no hydrogen 2.749 N/A ASN 280.A ND2 ASP 278.A OD2 no hydrogen 3.410 N/A ILE 281.A N ASP 278.A O no hydrogen 2.883 N/A ILE 282.A N ILE 279.A O no hydrogen 2.939 N/A THR 283.A N ILE 279.A O no hydrogen 2.994 N/A THR 283.A OG1 ILE 279.A O no hydrogen 3.392 N/A THR 283.A OG1 ASN 280.A O no hydrogen 2.783 N/A GLY 284.A N ASN 280.A O no hydrogen 3.089 N/A ALA 285.A N ILE 281.A O no hydrogen 2.986 N/A LEU 286.A N ILE 282.A O no hydrogen 2.869 N/A LYS 287.A N THR 283.A O no hydrogen 2.952 N/A LYS 287.A NZ TYR 246.A O no hydrogen 2.893 N/A LEU 288.A N GLY 284.A O no hydrogen 2.741 N/A TYR 289.A N ALA 285.A O no hydrogen 2.872 N/A PHE 290.A N LEU 286.A O no hydrogen 3.458 N/A ARG 291.A N LYS 287.A O no hydrogen 3.214 N/A ASP 292.A N LEU 288.A O no hydrogen 2.986 N/A ASP 292.A N TYR 289.A O no hydrogen 3.047 N/A LEU 293.A N PHE 290.A O no hydrogen 3.261 N/A ILE 298.A N LEU 369.A O no hydrogen 3.145 N/A ALA 302.A N THR 299.A O no hydrogen 3.050 N/A ALA 302.A N THR 299.A OG1 no hydrogen 3.267 N/A TYR 303.A OH ASP 383.A OD2 no hydrogen 2.711 N/A PHE 306.A N ALA 302.A O no hydrogen 3.259 N/A ILE 307.A N TYR 303.A O no hydrogen 3.022 N/A GLU 308.A N PRO 304.A O no hydrogen 2.734 N/A SER 309.A N LYS 305.A O no hydrogen 3.073 N/A SER 309.A OG PHE 306.A O no hydrogen 2.981 N/A ALA 310.A N PHE 306.A O no hydrogen 3.371 N/A LYS 311.A N GLU 308.A O no hydrogen 3.094 N/A ILE 312.A N SER 309.A O no hydrogen 3.231 N/A GLU 317.A N ASP 314.A OD2 no hydrogen 2.758 N/A GLN 318.A N ASP 314.A O no hydrogen 2.950 N/A GLN 318.A NE2 SER 309.A O no hydrogen 2.852 N/A LEU 319.A N PRO 315.A O no hydrogen 3.117 N/A GLU 320.A N ASP 316.A O no hydrogen 2.714 N/A THR 321.A N GLU 317.A O no hydrogen 2.559 N/A THR 321.A OG1 GLU 317.A O no hydrogen 2.778 N/A LEU 322.A N GLN 318.A O no hydrogen 2.757 N/A HIS 323.A N LEU 319.A O no hydrogen 3.107 N/A GLU 324.A N GLU 320.A O no hydrogen 3.027 N/A ALA 325.A N THR 321.A O no hydrogen 3.010 N/A ALA 325.A N LEU 322.A O no hydrogen 3.072 N/A LEU 326.A N LEU 322.A O no hydrogen 3.238 N/A LYS 327.A NZ GLU 324.A OE2 no hydrogen 2.932 N/A LEU 328.A N ALA 325.A O no hydrogen 2.976 N/A LEU 329.A N LEU 326.A O no hydrogen 3.425 N/A HIS 333.A ND1 LEU 297.A O no hydrogen 2.738 N/A CYS 334.A N PRO 330.A O no hydrogen 2.997 N/A GLU 335.A N PRO 331.A O no hydrogen 3.182 N/A THR 336.A N ALA 332.A O no hydrogen 3.063 N/A THR 336.A OG1 ALA 332.A O no hydrogen 2.660 N/A LEU 337.A N HIS 333.A O no hydrogen 2.874 N/A ARG 338.A N CYS 334.A O no hydrogen 2.843 N/A TYR 339.A N GLU 335.A O no hydrogen 3.238 N/A LEU 340.A N THR 336.A O no hydrogen 3.097 N/A MET 341.A N LEU 337.A O no hydrogen 2.908 N/A ALA 342.A N ARG 338.A O no hydrogen 3.004 N/A HIS 343.A N TYR 339.A O no hydrogen 2.966 N/A HIS 343.A ND1 GLU 236.A OE2 no hydrogen 2.741 N/A HIS 343.A NE2 TYR 246.A OH no hydrogen 2.654 N/A LEU 344.A N LEU 340.A O no hydrogen 2.827 N/A LYS 345.A N MET 341.A O no hydrogen 2.863 N/A LYS 345.A NZ LYS 396.A O no hydrogen 3.377 N/A ARG 346.A N ALA 342.A O no hydrogen 3.234 N/A VAL 347.A N HIS 343.A O no hydrogen 3.053 N/A THR 348.A N LEU 344.A O no hydrogen 3.205 N/A THR 348.A OG1 LYS 345.A O no hydrogen 2.713 N/A LEU 349.A N LYS 345.A O no hydrogen 3.262 N/A HIS 350.A N VAL 347.A O no hydrogen 3.185 N/A HIS 350.A ND1 ARG 346.A O no hydrogen 2.883 N/A GLU 351.A N THR 348.A O no hydrogen 2.995 N/A GLU 353.A N HIS 350.A O no hydrogen 3.261 N/A ASN 354.A N HIS 350.A O no hydrogen 3.079 N/A ASN 354.A ND2 LEU 240.A O no hydrogen 2.776 N/A ASN 354.A ND2 VAL 347.A O no hydrogen 2.783 N/A LEU 355.A N GLU 351.A O no hydrogen 2.707 N/A MET 356.A N ASN 354.A OD1 no hydrogen 2.770 N/A ASN 360.A N ASN 357.A OD1 no hydrogen 2.642 N/A ASN 360.A ND2 LEU 355.A O no hydrogen 2.899 N/A LEU 361.A N ASN 357.A O no hydrogen 3.008 N/A GLY 362.A N ALA 358.A O no hydrogen 2.636 N/A ILE 363.A N GLU 359.A O no hydrogen 2.708 N/A ILE 363.A N ASN 360.A O no hydrogen 3.116 N/A VAL 364.A N ASN 360.A O no hydrogen 3.307 N/A PHE 365.A N LEU 361.A O no hydrogen 3.042 N/A GLY 366.A N GLY 362.A O no hydrogen 3.344 N/A THR 368.A OG1 VAL 364.A O no hydrogen 3.373 N/A LEU 369.A N PHE 365.A O no hydrogen 2.776 N/A ARG 371.A NH1 LEU 293.A O no hydrogen 3.015 N/A ARG 371.A NH1 PRO 294.A O no hydrogen 3.339 N/A ARG 371.A NH1 TYR 300.A OH no hydrogen 3.425 N/A ARG 371.A NH2 LEU 293.A O no hydrogen 2.914 N/A ALA 379.A N ASP 376.A OD1 no hydrogen 3.289 N/A ALA 380.A N ASP 376.A O no hydrogen 2.854 N/A LEU 381.A N MET 378.A O no hydrogen 3.226 N/A ASN 382.A N ALA 379.A O no hydrogen 3.098 N/A ASP 383.A N ALA 380.A O no hydrogen 3.241 N/A ILE 384.A N LEU 381.A O no hydrogen 3.075 N/A TYR 386.A N ASP 383.A O no hydrogen 2.747 N/A GLN 387.A N ASP 383.A O no hydrogen 2.950 N/A GLN 387.A NE2 TYR 303.A OH no hydrogen 2.724 N/A ARG 388.A N ILE 384.A O no hydrogen 2.820 N/A ARG 388.A NE ILE 363.A O no hydrogen 2.814 N/A LEU 389.A N ARG 385.A O no hydrogen 2.947 N/A VAL 390.A N TYR 386.A O no hydrogen 2.989 N/A VAL 391.A N GLN 387.A O no hydrogen 3.429 N/A GLU 392.A N ARG 388.A O no hydrogen 3.236 N/A LEU 393.A N LEU 389.A O no hydrogen 2.835 N/A LEU 394.A N VAL 390.A O no hydrogen 2.808 N/A ILE 395.A N VAL 391.A O no hydrogen 2.768 N/A LYS 396.A N GLU 392.A O no hydrogen 3.165 N/A LYS 396.A NZ GLU 392.A OE2 no hydrogen 3.213 N/A ASN 397.A N LEU 393.A O no hydrogen 3.203 N/A ASN 397.A ND2 LEU 393.A O no hydrogen 3.370 N/A GLU 398.A N ILE 395.A O no hydrogen 3.346 N/A ILE 400.A N ASN 397.A O no hydrogen 3.161 N/A LEU 401.A N ASN 397.A O no hydrogen 3.095 N/A PHE 402.A N GLU 398.A O no hydrogen 3.161 N/A