Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i0r_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N ASP 117.A OD1 no hydrogen 2.804 N/A LYS 9.A N ARG 79.A O no hydrogen 3.371 N/A MET 12.A N LYS 9.A O no hydrogen 3.174 N/A VAL 17.A N ASN 53.A O no hydrogen 2.649 N/A GLN 19.A NE2 TRP 20.A O no hydrogen 3.337 N/A GLN 19.A NE2 VAL 56.A O no hydrogen 2.775 N/A LYS 26.A NZ GLU 381.A OE1 no hydrogen 3.486 N/A ILE 27.A N THR 23.A O no hydrogen 3.032 N/A LYS 28.A N GLU 24.A O no hydrogen 2.964 N/A ALA 29.A N GLU 25.A O no hydrogen 3.052 N/A LEU 30.A N LYS 26.A O no hydrogen 2.971 N/A VAL 31.A N ILE 27.A O no hydrogen 2.812 N/A GLU 32.A N LYS 28.A O no hydrogen 3.021 N/A ILE 33.A N ALA 29.A O no hydrogen 3.052 N/A CYS 34.A N LEU 30.A O no hydrogen 2.865 N/A THR 35.A N VAL 31.A O no hydrogen 3.002 N/A THR 35.A OG1 VAL 31.A O no hydrogen 3.202 N/A GLU 36.A N GLU 32.A O no hydrogen 3.061 N/A MET 37.A N ILE 33.A O no hydrogen 3.088 N/A GLU 38.A N CYS 34.A O no hydrogen 3.219 N/A LYS 39.A N THR 35.A O no hydrogen 2.984 N/A GLU 40.A N GLU 36.A O no hydrogen 3.029 N/A GLY 41.A N GLU 38.A O no hydrogen 2.650 N/A LYS 42.A N MET 37.A O no hydrogen 2.669 N/A LYS 42.A NZ PHE 112.A O no hydrogen 2.393 N/A SER 44.A N GLN 141.A O no hydrogen 2.753 N/A SER 44.A OG ASN 143.A OD1 no hydrogen 2.686 N/A ILE 46.A N ARG 139.A O no hydrogen 3.139 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.799 N/A ASN 50.A N GLY 47.A O no hydrogen 2.924 N/A ASN 50.A ND2 LYS 122.A O no hydrogen 2.879 N/A ASN 50.A ND2 GLN 141.A OE1 no hydrogen 3.296 N/A TYR 52.A N ASN 50.A OD1 no hydrogen 2.965 N/A TYR 52.A OH ASP 13.A OD1 no hydrogen 2.488 N/A ASN 53.A N PRO 15.A O no hydrogen 2.879 N/A ASN 53.A ND2 VAL 17.A O no hydrogen 2.441 N/A VAL 56.A N GLN 19.A OE1 no hydrogen 2.491 N/A PHE 57.A N LEU 70.A O no hydrogen 2.896 N/A ILE 59.A N ARG 68.A O no hydrogen 2.915 N/A LYS 60.A NZ THR 65.A O no hydrogen 2.957 N/A LYS 62.A NZ ASP 63.A OD2 no hydrogen 3.443 N/A SER 64.A OG ASP 63.A O no hydrogen 3.503 N/A ARG 68.A N ILE 59.A O no hydrogen 2.879 N/A ARG 68.A NH1 LYS 69.A O no hydrogen 3.400 N/A ARG 68.A NH1 GLN 147.A OE1 no hydrogen 3.435 N/A LYS 69.A NZ TYR 142.A OH no hydrogen 2.788 N/A LEU 70.A N PHE 57.A O no hydrogen 2.725 N/A ASP 72.A N PRO 55.A O no hydrogen 3.013 N/A ARG 74.A N ASP 72.A OD2 no hydrogen 3.094 N/A ARG 74.A NE ASP 72.A OD1 no hydrogen 3.390 N/A ARG 74.A NE ASP 72.A OD2 no hydrogen 3.053 N/A ARG 74.A NH1 PRO 389.A O no hydrogen 2.390 N/A ARG 74.A NH2 ASP 72.A OD1 no hydrogen 3.411 N/A ASN 77.A N PHE 73.A O no hydrogen 2.838 N/A ASN 77.A ND2 GLY 148.A O no hydrogen 3.247 N/A LYS 78.A N ARG 74.A O no hydrogen 3.428 N/A LYS 78.A NZ GLU 75.A OE1 no hydrogen 3.307 N/A ARG 79.A N GLU 75.A O no hydrogen 3.194 N/A ARG 79.A NE GLU 75.A OE2 no hydrogen 2.424 N/A ARG 79.A NH1 ASP 13.A O no hydrogen 2.775 N/A ARG 79.A NH2 GLU 75.A OE2 no hydrogen 2.865 N/A THR 80.A OG1 LEU 76.A O no hydrogen 2.248 N/A THR 80.A OG1 ASN 77.A O no hydrogen 3.057 N/A GLN 81.A N ASN 77.A O no hydrogen 2.889 N/A PHE 83.A N THR 80.A O no hydrogen 2.472 N/A TRP 84.A NE1 ASN 77.A O no hydrogen 2.695 N/A GLU 85.A N GLN 81.A O no hydrogen 3.090 N/A HIS 92.A NE2 ILE 359.A O no hydrogen 3.122 N/A LEU 96.A N PRO 93.A O no hydrogen 3.095 N/A LYS 97.A NZ ALA 94.A O no hydrogen 2.666 N/A LYS 98.A N GLY 95.A O no hydrogen 2.749 N/A LYS 99.A NZ ASP 173.A O no hydrogen 2.817 N/A LYS 100.A N ASP 188.A OD2 no hydrogen 3.251 N/A SER 101.A N SER 187.A O no hydrogen 3.212 N/A SER 101.A OG HIS 216.A ND1 no hydrogen 3.330 N/A VAL 102.A N LEU 215.A O no hydrogen 2.630 N/A THR 103.A N VAL 185.A O no hydrogen 2.831 N/A THR 103.A OG1 HIS 194.A NE2 no hydrogen 2.494 N/A VAL 104.A N TYR 213.A O no hydrogen 3.033 N/A LEU 105.A N LEU 183.A O no hydrogen 2.807 N/A VAL 107.A N ASP 181.A O no hydrogen 2.627 N/A GLY 108.A N ASP 106.A OD2 no hydrogen 2.915 N/A TYR 111.A OH MET 180.A O no hydrogen 2.612 N/A PHE 112.A N ASP 109.A O no hydrogen 2.786 N/A SER 113.A N ALA 110.A O no hydrogen 3.280 N/A VAL 114.A N TYR 111.A O no hydrogen 2.781 N/A LEU 116.A N ASN 143.A O no hydrogen 2.437 N/A ASP 119.A N ASP 117.A OD2 no hydrogen 2.672 N/A PHE 120.A N ASP 117.A O no hydrogen 2.938 N/A ARG 121.A NE LEU 116.A O no hydrogen 2.558 N/A ARG 121.A NE ASP 117.A O no hydrogen 3.569 N/A ARG 121.A NH2 LEU 116.A O no hydrogen 2.605 N/A TYR 123.A N PHE 120.A O no hydrogen 2.762 N/A THR 124.A N ARG 121.A O no hydrogen 2.829 N/A THR 124.A OG1 ARG 121.A O no hydrogen 2.959 N/A PHE 126.A N TYR 140.A O no hydrogen 3.046 N/A THR 127.A OG1 ASN 53.A OD1 no hydrogen 2.633 N/A ILE 128.A N ILE 138.A O no hydrogen 2.891 N/A SER 130.A OG ILE 131.A O no hydrogen 3.512 N/A SER 130.A OG THR 135.A O no hydrogen 2.837 N/A ASN 133.A N SER 130.A O no hydrogen 3.252 N/A GLU 134.A N ILE 131.A O no hydrogen 3.143 N/A THR 135.A N SER 130.A OG no hydrogen 3.010 N/A THR 135.A OG1 PRO 136.A O no hydrogen 3.534 N/A ILE 138.A N ILE 128.A O no hydrogen 3.048 N/A ARG 139.A NH1 TYR 52.A O no hydrogen 3.013 N/A ARG 139.A NH1 THR 127.A OG1 no hydrogen 3.250 N/A ARG 139.A NH2 TYR 52.A O no hydrogen 3.003 N/A TYR 140.A N PHE 126.A O no hydrogen 2.920 N/A GLN 141.A N SER 44.A O no hydrogen 3.045 N/A TYR 142.A N THR 124.A OG1 no hydrogen 3.007 N/A ASN 143.A N LYS 42.A O no hydrogen 2.653 N/A VAL 144.A N LYS 42.A O no hydrogen 3.459 N/A LEU 145.A N VAL 114.A O no hydrogen 2.865 N/A LYS 150.A N ASN 77.A OD1 no hydrogen 2.871 N/A SER 152.A N TRP 149.A O no hydrogen 3.047 N/A SER 152.A OG PRO 146.A O no hydrogen 2.458 N/A ILE 155.A N GLY 151.A O no hydrogen 2.906 N/A PHE 156.A N SER 152.A O no hydrogen 2.834 N/A GLN 157.A N ALA 154.A O no hydrogen 3.271 N/A GLN 157.A NE2 LEU 88.A O no hydrogen 3.390 N/A GLN 157.A NE2 ALA 154.A O no hydrogen 3.565 N/A MET 160.A N PHE 156.A O no hydrogen 3.072 N/A THR 161.A N GLN 157.A O no hydrogen 2.794 N/A THR 161.A OG1 GLN 157.A O no hydrogen 3.404 N/A LYS 162.A N SER 158.A O no hydrogen 3.091 N/A ILE 163.A N SER 159.A O no hydrogen 2.900 N/A LEU 164.A N MET 160.A O no hydrogen 2.716 N/A GLU 165.A N LYS 162.A O no hydrogen 2.867 N/A ARG 168.A N LEU 164.A O no hydrogen 2.919 N/A LYS 169.A N GLU 165.A O no hydrogen 2.864 N/A GLN 170.A N PRO 166.A O no hydrogen 3.012 N/A ASN 171.A N PHE 167.A O no hydrogen 3.118 N/A ASN 171.A N ARG 168.A O no hydrogen 3.157 N/A ILE 174.A N ASN 171.A O no hydrogen 2.965 N/A VAL 175.A N GLY 186.A O no hydrogen 2.989 N/A TYR 177.A N TYR 184.A O no hydrogen 2.881 N/A TYR 179.A N ASP 182.A O no hydrogen 3.010 N/A ASP 182.A N TYR 179.A O no hydrogen 3.326 N/A LEU 183.A N LEU 105.A O no hydrogen 2.854 N/A TYR 184.A N TYR 177.A O no hydrogen 2.553 N/A VAL 185.A N THR 103.A O no hydrogen 2.796 N/A GLY 186.A N VAL 175.A O no hydrogen 2.930 N/A SER 187.A N SER 101.A O no hydrogen 2.906 N/A SER 187.A OG HIS 194.A ND1 no hydrogen 2.556 N/A LEU 189.A N SER 187.A OG no hydrogen 3.096 N/A GLY 192.A N GLU 190.A OE2 no hydrogen 3.088 N/A HIS 194.A N GLU 190.A O no hydrogen 2.853 N/A HIS 194.A ND1 SER 187.A OG no hydrogen 2.556 N/A HIS 194.A NE2 THR 103.A OG1 no hydrogen 2.494 N/A ARG 195.A N ILE 191.A O no hydrogen 2.762 N/A ARG 195.A NH1 GLU 214.A OE2 no hydrogen 2.410 N/A THR 196.A N GLY 192.A O no hydrogen 2.850 N/A THR 196.A OG1 GLY 192.A O no hydrogen 3.187 N/A LYS 197.A N GLN 193.A O no hydrogen 2.630 N/A LYS 197.A NZ GLU 200.A OE1 no hydrogen 3.279 N/A LYS 197.A NZ GLU 200.A OE2 no hydrogen 3.081 N/A ILE 198.A N HIS 194.A O no hydrogen 2.786 N/A GLU 199.A N ARG 195.A O no hydrogen 2.862 N/A GLU 200.A N THR 196.A O no hydrogen 2.794 N/A LEU 201.A N LYS 197.A O no hydrogen 2.817 N/A ARG 202.A N ILE 198.A O no hydrogen 2.788 N/A ARG 202.A NH1 GLU 199.A OE1 no hydrogen 2.709 N/A GLN 203.A N GLU 199.A O no hydrogen 3.209 N/A LEU 205.A N LEU 201.A O no hydrogen 3.186 N/A LEU 206.A N ARG 202.A O no hydrogen 2.727 N/A ARG 207.A N HIS 204.A O no hydrogen 3.042 N/A ARG 207.A NH1 GLN 203.A O no hydrogen 3.403 N/A ARG 207.A NH1 GLN 203.A OE1 no hydrogen 2.811 N/A TRP 208.A N LEU 205.A O no hydrogen 2.725 N/A THR 211.A OG1 LEU 210.A O no hydrogen 2.789 N/A LEU 215.A N VAL 102.A O no hydrogen 2.955 N/A HIS 216.A ND1 LYS 100.A O no hydrogen 3.129 N/A LYS 219.A N HIS 216.A O no hydrogen 3.288 N/A GLN 223.A NE2 GLN 223.A O no hydrogen 3.092 N/A VAL 235.A N GLU 272.A O no hydrogen 3.339 N/A ASN 236.A N LEU 270.A O no hydrogen 3.359 N/A ILE 238.A N THR 234.A O no hydrogen 3.091 N/A GLN 239.A N VAL 235.A O no hydrogen 2.520 N/A LYS 240.A N ASN 236.A O no hydrogen 2.534 N/A LEU 241.A N ASP 237.A O no hydrogen 2.378 N/A VAL 242.A N ILE 238.A O no hydrogen 2.591 N/A GLY 243.A N GLN 239.A O no hydrogen 2.907 N/A LYS 244.A N LYS 240.A O no hydrogen 3.148 N/A LYS 244.A NZ VAL 226.A O no hydrogen 2.669 N/A LEU 245.A N LEU 241.A O no hydrogen 2.926 N/A ASN 246.A N VAL 242.A O no hydrogen 2.467 N/A TRP 247.A N GLY 243.A O no hydrogen 3.115 N/A ALA 248.A N LYS 244.A O no hydrogen 3.197 N/A SER 249.A N LEU 245.A O no hydrogen 3.392 N/A SER 249.A OG ASN 246.A O no hydrogen 3.235 N/A ILE 251.A N ALA 248.A O no hydrogen 3.338 N/A TYR 252.A N ALA 248.A O no hydrogen 2.817 N/A LYS 256.A N ASN 287.A OD1 no hydrogen 3.350 N/A LEU 260.A N GLU 283.A OE1 no hydrogen 3.030 N/A CYS 261.A N VAL 257.A O no hydrogen 2.823 N/A LYS 262.A N ARG 258.A O no hydrogen 3.085 N/A LEU 263.A N LEU 260.A O no hydrogen 3.282 N/A LEU 264.A N CYS 261.A O no hydrogen 2.193 N/A ARG 265.A NH1 LYS 262.A O no hydrogen 3.430 N/A THR 267.A OG1 THR 267.A O no hydrogen 2.585 N/A LYS 268.A N GLY 266.A O no hydrogen 2.792 N/A LYS 268.A NZ LEU 263.A O no hydrogen 3.037 N/A ILE 274.A N TRP 233.A O no hydrogen 3.166 N/A THR 277.A OG1 GLU 279.A OE2 no hydrogen 2.536 N/A ALA 280.A N GLU 279.A OE2 no hydrogen 2.662 N/A LEU 282.A N GLU 279.A O no hydrogen 2.366 N/A GLU 283.A N GLU 279.A O no hydrogen 3.268 N/A ALA 285.A N GLU 281.A O no hydrogen 3.297 N/A GLU 286.A N LEU 282.A O no hydrogen 2.583 N/A ASN 287.A N GLU 283.A O no hydrogen 2.556 N/A ARG 288.A N LEU 284.A O no hydrogen 2.747 N/A ARG 288.A NH1 PRO 228.A O no hydrogen 3.080 N/A GLU 289.A N ALA 285.A O no hydrogen 2.351 N/A ILE 290.A N GLU 286.A O no hydrogen 2.823 N/A LEU 291.A N ASN 287.A O no hydrogen 2.336 N/A LYS 292.A N GLU 289.A O no hydrogen 3.097 N/A GLU 293.A N ILE 290.A O no hydrogen 2.586 N/A ASP 301.A N GLN 324.A OE1 no hydrogen 2.828 N/A SER 303.A N ASP 301.A OD1 no hydrogen 3.011 N/A SER 303.A OG ASP 301.A OD1 no hydrogen 3.090 N/A SER 303.A OG ASP 301.A OD2 no hydrogen 2.977 N/A LYS 304.A N ASP 301.A O no hydrogen 2.841 N/A LYS 304.A NZ ASP 301.A OD2 no hydrogen 3.521 N/A ILE 307.A N TYR 323.A O no hydrogen 2.786 N/A ALA 308.A N LYS 365.A O no hydrogen 3.019 N/A GLU 309.A N GLN 321.A O no hydrogen 2.920 N/A GLN 311.A N THR 319.A O no hydrogen 2.743 N/A GLN 311.A NE2 GLN 321.A OE1 no hydrogen 2.566 N/A LYS 312.A NZ ASP 341.A OD2 no hydrogen 2.508 N/A GLN 313.A N GLN 317.A O no hydrogen 2.756 N/A GLN 313.A NE2 LYS 401.A O no hydrogen 2.700 N/A GLN 317.A N GLY 314.A O no hydrogen 2.716 N/A TRP 318.A N TYR 335.A O no hydrogen 3.129 N/A THR 319.A N GLN 311.A O no hydrogen 2.985 N/A THR 319.A OG1 GLN 311.A OE1 no hydrogen 2.068 N/A TYR 320.A N GLY 333.A O no hydrogen 3.148 N/A GLN 321.A N GLU 309.A O no hydrogen 3.084 N/A GLN 321.A NE2 GLN 311.A OE1 no hydrogen 2.584 N/A ILE 322.A N LYS 331.A O no hydrogen 2.645 N/A TYR 323.A N ILE 307.A O no hydrogen 2.936 N/A TYR 323.A OH GLU 309.A OE2 no hydrogen 2.222 N/A GLN 324.A NE2 ASP 301.A O no hydrogen 2.563 N/A GLN 324.A NE2 LYS 304.A O no hydrogen 2.510 N/A LYS 328.A N GLU 325.A O no hydrogen 2.832 N/A LYS 328.A N PRO 326.A O no hydrogen 2.830 N/A ASN 329.A N PHE 327.A O no hydrogen 3.216 N/A LEU 330.A N ILE 322.A O no hydrogen 2.701 N/A LYS 331.A N ILE 322.A O no hydrogen 3.212 N/A LYS 331.A NZ GLU 355.A OE1 no hydrogen 3.430 N/A GLY 333.A N TYR 320.A O no hydrogen 2.962 N/A TYR 335.A N TRP 318.A O no hydrogen 2.829 N/A ARG 337.A N GLY 316.A O no hydrogen 2.544 N/A ASN 340.A ND2 TYR 382.A OH no hydrogen 3.522 N/A LYS 343.A N ASN 340.A OD1 no hydrogen 2.657 N/A LYS 343.A NZ HIS 338.A NE2 no hydrogen 3.514 N/A GLN 344.A N ASN 340.A O no hydrogen 3.188 N/A LEU 345.A N ASP 341.A O no hydrogen 2.953 N/A THR 346.A N VAL 342.A O no hydrogen 2.827 N/A THR 346.A OG1 VAL 342.A O no hydrogen 3.161 N/A GLU 347.A N LYS 343.A O no hydrogen 3.061 N/A ALA 348.A N GLN 344.A O no hydrogen 2.808 N/A VAL 349.A N LEU 345.A O no hydrogen 2.815 N/A GLN 350.A N THR 346.A O no hydrogen 3.194 N/A LYS 351.A N GLU 347.A O no hydrogen 2.961 N/A LYS 351.A NZ LYS 334.A O no hydrogen 3.422 N/A ILE 352.A N ALA 348.A O no hydrogen 2.921 N/A THR 353.A N VAL 349.A O no hydrogen 2.908 N/A THR 353.A OG1 VAL 349.A O no hydrogen 2.972 N/A THR 354.A N GLN 350.A O no hydrogen 2.847 N/A GLU 355.A N LYS 351.A O no hydrogen 2.987 N/A SER 356.A N ILE 352.A O no hydrogen 2.720 N/A SER 356.A OG LYS 362.A O no hydrogen 2.816 N/A ILE 357.A N THR 353.A O no hydrogen 2.759 N/A VAL 358.A N THR 354.A O no hydrogen 3.080 N/A VAL 358.A N GLU 355.A O no hydrogen 2.928 N/A ILE 359.A N GLU 355.A O no hydrogen 2.940 N/A TRP 360.A N SER 356.A O no hydrogen 2.902 N/A GLY 361.A N ILE 357.A O no hydrogen 2.886 N/A LYS 362.A NZ TYR 300.A OH no hydrogen 3.461 N/A LYS 362.A NZ LYS 304.A O no hydrogen 3.410 N/A LYS 365.A N LEU 306.A O no hydrogen 2.687 N/A PHE 366.A N GLU 390.A O no hydrogen 2.578 N/A LYS 367.A N ALA 308.A O no hydrogen 2.992 N/A LEU 368.A N GLU 392.A O no hydrogen 2.834 N/A LYS 372.A NZ GLU 376.A OE1 no hydrogen 2.928 N/A LYS 372.A NZ GLU 376.A OE2 no hydrogen 3.413 N/A GLU 373.A N GLU 373.A OE2 no hydrogen 2.602 N/A TRP 375.A N GLN 371.A O no hydrogen 2.919 N/A GLU 376.A N LYS 372.A O no hydrogen 3.042 N/A THR 377.A N GLU 373.A O no hydrogen 2.746 N/A TRP 378.A N THR 374.A O no hydrogen 2.914 N/A TRP 379.A N TRP 375.A O no hydrogen 2.889 N/A GLU 381.A N TRP 378.A O no hydrogen 3.034 N/A TYR 382.A N TRP 379.A O no hydrogen 2.996 N/A TRP 383.A N TRP 379.A O no hydrogen 3.007 N/A TRP 383.A NE1 TRP 387.A O no hydrogen 2.919 N/A THR 386.A OG1 ASP 182.A OD2 no hydrogen 3.499 N/A GLU 392.A N PHE 366.A O no hydrogen 2.739 N/A VAL 394.A N LEU 368.A O no hydrogen 2.861 N/A LEU 402.A N LEU 399.A O no hydrogen 2.633 N/A TRP 403.A N LEU 399.A O no hydrogen 3.128 N/A GLN 405.A N LEU 402.A O no hydrogen 2.293 N/A GLN 405.A NE2 GLN 405.A O no hydrogen 3.628 N/A