Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qu3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N PHE 1.A O no hydrogen 2.724 N/A VAL 5.A N VAL 2.A O no hydrogen 3.276 N/A ASP 6.A N SER 169.A OG no hydrogen 2.634 N/A ASN 7.A N MET 4.A O no hydrogen 3.190 N/A ASN 7.A ND2 HIS 91.A O no hydrogen 2.862 N/A ASN 7.A ND2 MET 170.A O no hydrogen 2.930 N/A LEU 8.A N GLY 168.A O no hydrogen 2.862 N/A ARG 9.A N TYR 17.A O no hydrogen 2.935 N/A ARG 9.A NH1 ASP 6.A OD1 no hydrogen 2.755 N/A ARG 9.A NH1 ASP 6.A OD2 no hydrogen 3.005 N/A ARG 9.A NH1 LEU 8.A O no hydrogen 2.949 N/A ARG 9.A NH2 ASP 6.A OD2 no hydrogen 2.815 N/A GLY 10.A N VAL 166.A O no hydrogen 3.228 N/A SER 12.A N ALA 164.A O no hydrogen 2.628 N/A SER 12.A OG ALA 164.A O no hydrogen 2.762 N/A GLN 14.A N LYS 11.A O no hydrogen 2.728 N/A GLN 14.A NE2 ASN 113.A O no hydrogen 3.148 N/A TYR 16.A OH GLU 324.A OE2 no hydrogen 2.540 N/A TYR 17.A N ARG 9.A O no hydrogen 2.540 N/A VAL 18.A N ILE 31.A O no hydrogen 2.917 N/A MET 20.A N LEU 29.A O no hydrogen 2.749 N/A THR 21.A N SER 88.A O no hydrogen 2.947 N/A VAL 22.A N GLN 27.A O no hydrogen 2.928 N/A GLY 23.A N LEU 86.A O no hydrogen 2.948 N/A SER 24.A N SER 59.A OG no hydrogen 3.223 N/A SER 24.A OG THR 61.A OG1 no hydrogen 2.699 N/A GLN 27.A N VAL 22.A O no hydrogen 2.881 N/A LEU 29.A N MET 20.A O no hydrogen 2.773 N/A ASN 30.A N GLU 118.A OE1 no hydrogen 2.903 N/A ASN 30.A ND2 ASN 116.A O no hydrogen 2.996 N/A ILE 31.A N VAL 18.A O no hydrogen 2.831 N/A LEU 32.A N GLY 119.A O no hydrogen 2.756 N/A VAL 33.A N TYR 16.A O no hydrogen 2.807 N/A ASP 34.A N LEU 121.A O no hydrogen 2.997 N/A THR 35.A N SER 225.A OG no hydrogen 3.066 N/A THR 35.A OG1 VAL 223.A O no hydrogen 2.886 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.809 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.464 N/A SER 38.A OG TYR 125.A O no hydrogen 2.594 N/A ASN 39.A ND2 ARG 130.A O no hydrogen 2.673 N/A ALA 41.A N ILE 120.A O no hydrogen 2.890 N/A VAL 42.A N ALA 102.A O no hydrogen 3.004 N/A GLY 43.A N GLU 118.A O no hydrogen 2.822 N/A ALA 44.A N ILE 104.A O no hydrogen 2.753 N/A PHE 49.A N HIS 47.A ND1 no hydrogen 2.857 N/A LEU 50.A N HIS 47.A O no hydrogen 2.896 N/A ARG 52.A NE GLU 118.A OE1 no hydrogen 2.772 N/A ARG 52.A NH2 GLU 118.A OE1 no hydrogen 3.297 N/A TYR 54.A N GLY 43.A O no hydrogen 2.928 N/A TYR 54.A OH ASP 85.A OD2 no hydrogen 2.502 N/A ARG 56.A NH1 GLU 81.A OE2 no hydrogen 2.740 N/A ARG 56.A NH2 GLU 81.A OE2 no hydrogen 3.351 N/A LEU 58.A N GLN 55.A O no hydrogen 3.033 N/A SER 59.A N ARG 56.A O no hydrogen 2.873 N/A SER 59.A OG ASP 85.A OD1 no hydrogen 3.212 N/A SER 59.A OG ASP 85.A OD2 no hydrogen 2.520 N/A SER 60.A N SER 24.A O no hydrogen 2.928 N/A SER 60.A OG SER 24.A O no hydrogen 3.503 N/A THR 61.A N SER 59.A OG no hydrogen 3.353 N/A THR 61.A OG1 SER 24.A OG no hydrogen 2.699 N/A THR 61.A OG1 SER 59.A OG no hydrogen 3.356 N/A THR 61.A OG1 ASP 85.A OD1 no hydrogen 2.717 N/A TYR 62.A N SER 59.A O no hydrogen 3.443 N/A TYR 62.A OH ASP 64.A OD1 no hydrogen 3.088 N/A ARG 63.A N THR 84.A O no hydrogen 2.895 N/A LEU 65.A N LEU 82.A O no hydrogen 2.992 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 3.188 N/A VAL 69.A N GLY 80.A O no hydrogen 2.834 N/A VAL 71.A N TRP 78.A O no hydrogen 2.761 N/A TYR 73.A N GLY 76.A O no hydrogen 3.041 N/A TYR 73.A OH LYS 109.A O no hydrogen 2.866 N/A GLN 75.A NE2 GLN 75.A O no hydrogen 3.519 N/A GLY 76.A N TYR 73.A O no hydrogen 3.246 N/A LYS 77.A N ASP 108.A O no hydrogen 2.931 N/A TRP 78.A N VAL 71.A O no hydrogen 2.988 N/A GLU 79.A N GLU 106.A O no hydrogen 2.889 N/A GLY 80.A N VAL 69.A O no hydrogen 2.786 N/A GLU 81.A N ALA 103.A O no hydrogen 3.015 N/A LEU 82.A N LYS 67.A O no hydrogen 2.644 N/A GLY 83.A N ILE 101.A O no hydrogen 3.004 N/A THR 84.A N ARG 63.A O no hydrogen 2.821 N/A THR 84.A OG1 ASN 100.A OD1 no hydrogen 3.421 N/A ASP 85.A N ALA 99.A O no hydrogen 3.176 N/A LEU 86.A N ASP 85.A OD1 no hydrogen 2.569 N/A VAL 87.A N VAL 97.A O no hydrogen 2.652 N/A SER 88.A N THR 21.A O no hydrogen 3.065 N/A SER 88.A OG THR 96.A OG1 no hydrogen 2.728 N/A THR 96.A OG1 SER 88.A OG no hydrogen 2.728 N/A VAL 97.A N VAL 87.A O no hydrogen 2.956 N/A ARG 98.A NH1 THR 61.A O no hydrogen 3.118 N/A ARG 98.A NH2 THR 61.A O no hydrogen 2.801 N/A ALA 99.A N ASP 85.A O no hydrogen 2.978 N/A ASN 100.A ND2 GLU 136.A O no hydrogen 2.921 N/A ILE 101.A N GLY 83.A O no hydrogen 2.683 N/A ALA 102.A N PHE 40.A O no hydrogen 2.869 N/A ALA 103.A N GLU 81.A O no hydrogen 2.974 N/A ILE 104.A N VAL 42.A O no hydrogen 2.865 N/A THR 105.A N GLU 79.A O no hydrogen 2.921 N/A THR 105.A OG1 GLU 79.A O no hydrogen 3.312 N/A GLU 106.A N GLU 79.A O no hydrogen 3.407 N/A ASP 108.A N LYS 77.A O no hydrogen 2.769 N/A SER 115.A N ILE 112.A O no hydrogen 3.153 N/A SER 115.A OG ILE 112.A O no hydrogen 3.000 N/A ASN 116.A ND2 TYR 17.A OH no hydrogen 2.747 N/A TRP 117.A NE1 GLN 14.A O no hydrogen 2.833 N/A GLU 118.A N ASN 30.A O no hydrogen 2.655 N/A ILE 120.A N ALA 41.A O no hydrogen 2.534 N/A LEU 121.A N LEU 32.A O no hydrogen 2.735 N/A GLY 122.A N ASN 39.A O no hydrogen 2.776 N/A LEU 123.A N ASP 34.A O no hydrogen 2.824 N/A ALA 124.A N SER 37.A O no hydrogen 2.690 N/A TYR 125.A N TRP 193.A O no hydrogen 2.894 N/A ILE 128.A N TYR 125.A O no hydrogen 3.240 N/A ALA 129.A N ALA 126.A O no hydrogen 2.852 N/A ARG 130.A N ASN 39.A OD1 no hydrogen 2.846 N/A SER 134.A N ASP 132.A OD2 no hydrogen 2.628 N/A SER 134.A OG ASP 132.A OD1 no hydrogen 3.160 N/A SER 134.A OG ASP 132.A OD2 no hydrogen 2.534 N/A LEU 135.A N ASP 132.A O no hydrogen 3.419 N/A SER 141.A N PRO 137.A O no hydrogen 3.177 N/A SER 141.A OG GLU 136.A OE2 no hydrogen 2.513 N/A SER 141.A OG PRO 137.A O no hydrogen 3.302 N/A LEU 142.A N PHE 138.A O no hydrogen 2.892 N/A VAL 143.A N PHE 139.A O no hydrogen 2.978 N/A LYS 144.A N ASP 140.A O no hydrogen 2.790 N/A GLN 145.A N SER 141.A O no hydrogen 2.745 N/A THR 146.A N LEU 142.A O no hydrogen 2.893 N/A THR 146.A OG1 LEU 142.A O no hydrogen 2.689 N/A VAL 148.A N THR 146.A OG1 no hydrogen 3.083 N/A LEU 151.A N PRO 149.A O no hydrogen 2.688 N/A PHE 152.A N PHE 330.A O no hydrogen 3.280 N/A SER 153.A N ILE 171.A O no hydrogen 2.623 N/A SER 153.A OG GLY 174.A O no hydrogen 2.661 N/A SER 153.A OG TYR 327.A OH no hydrogen 2.834 N/A LEU 154.A N VAL 328.A O no hydrogen 2.758 N/A GLN 155.A N SER 169.A O no hydrogen 2.816 N/A CYS 157.A N GLY 167.A O no hydrogen 2.965 N/A GLY 158.A N TYR 16.A OH no hydrogen 2.741 N/A VAL 166.A N GLY 10.A O no hydrogen 2.840 N/A GLY 167.A N GLY 158.A O no hydrogen 3.261 N/A GLY 168.A N LEU 8.A O no hydrogen 3.308 N/A SER 169.A N GLN 155.A O no hydrogen 2.810 N/A MET 170.A N ASN 7.A OD1 no hydrogen 2.666 N/A ILE 171.A N SER 153.A O no hydrogen 2.867 N/A GLY 173.A N LEU 151.A O no hydrogen 2.632 N/A ASP 176.A N TYR 327.A OH no hydrogen 3.072 N/A SER 178.A N ASP 176.A OD2 no hydrogen 3.092 N/A SER 178.A OG ASP 176.A OD2 no hydrogen 2.618 N/A LEU 179.A N ASP 176.A O no hydrogen 2.997 N/A TYR 180.A N HIS 177.A O no hydrogen 3.402 N/A THR 181.A N VAL 341.A O no hydrogen 2.871 N/A TRP 185.A N PHE 339.A O no hydrogen 2.794 N/A THR 187.A N ILE 337.A O no hydrogen 2.804 N/A THR 187.A OG1 MET 283.A O no hydrogen 2.589 N/A ILE 189.A N LYS 335.A O no hydrogen 2.927 N/A ARG 190.A N GLU 196.A O no hydrogen 2.790 N/A ARG 190.A NH1 GLU 196.A OE2 no hydrogen 2.789 N/A ARG 191.A NE GLU 127.A OE1 no hydrogen 3.419 N/A ARG 191.A NH2 GLU 127.A OE2 no hydrogen 2.324 N/A TRP 193.A N ARG 191.A O no hydrogen 3.125 N/A TRP 193.A N TYR 194.A O no hydrogen 3.282 N/A TRP 193.A NE1 GLU 196.A OE1 no hydrogen 2.879 N/A TYR 195.A OH LEU 123.A O no hydrogen 2.650 N/A VAL 197.A N SER 221.A O no hydrogen 2.928 N/A ILE 199.A N ASN 217.A OD1 no hydrogen 2.778 N/A VAL 200.A N TYR 281.A O no hydrogen 2.726 N/A GLU 203.A N SER 279.A O no hydrogen 3.015 N/A ILE 204.A N GLN 207.A O no hydrogen 2.805 N/A ASN 205.A N VAL 277.A O no hydrogen 2.794 N/A GLN 207.A N ILE 204.A O no hydrogen 2.711 N/A LEU 209.A N VAL 202.A O no hydrogen 3.040 N/A LYS 210.A N ASP 208.A OD2 no hydrogen 2.597 N/A LYS 210.A NZ ASP 208.A O no hydrogen 3.255 N/A MET 211.A N TYR 216.A OH no hydrogen 3.199 N/A CYS 213.A SG ILE 199.A O no hydrogen 3.873 N/A CYS 213.A SG VAL 200.A O no hydrogen 3.251 N/A LYS 214.A N ASP 212.A OD1 no hydrogen 2.892 N/A LYS 214.A NZ ASP 366.A O no hydrogen 2.792 N/A GLU 215.A N ASP 212.A O no hydrogen 2.918 N/A TYR 216.A N CYS 213.A O no hydrogen 3.084 N/A ASN 217.A N LYS 214.A O no hydrogen 3.121 N/A ASN 217.A ND2 ILE 199.A O no hydrogen 2.948 N/A ASN 217.A ND2 CYS 367.A O no hydrogen 2.962 N/A TYR 218.A N GLU 215.A O no hydrogen 3.253 N/A LYS 220.A NZ THR 314.A O no hydrogen 2.958 N/A SER 221.A OG ASN 217.A OD1 no hydrogen 2.694 N/A ILE 222.A N THR 316.A O no hydrogen 3.001 N/A VAL 223.A N TYR 195.A O no hydrogen 3.079 N/A ASP 224.A N MET 318.A O no hydrogen 3.022 N/A SER 225.A N THR 35.A OG1 no hydrogen 2.871 N/A SER 225.A OG VAL 33.A O no hydrogen 2.645 N/A GLY 226.A N ASP 224.A OD1 no hydrogen 2.547 N/A THR 227.A N ASP 224.A O no hydrogen 3.199 N/A THR 227.A OG1 ASP 224.A OD2 no hydrogen 2.508 N/A LEU 230.A N ALA 308.A O no hydrogen 2.985 N/A ARG 231.A N VAL 317.A O no hydrogen 2.870 N/A ARG 231.A NH2 GLN 311.A O no hydrogen 3.417 N/A LEU 232.A N SER 310.A O no hydrogen 2.943 N/A PHE 237.A N PRO 233.A O no hydrogen 2.670 N/A GLU 238.A N LYS 234.A O no hydrogen 2.743 N/A ALA 239.A N LYS 235.A O no hydrogen 3.142 N/A ALA 240.A N VAL 236.A O no hydrogen 2.809 N/A VAL 241.A N PHE 237.A O no hydrogen 2.926 N/A LYS 242.A N GLU 238.A O no hydrogen 3.118 N/A SER 243.A N ALA 239.A O no hydrogen 3.330 N/A ILE 244.A N ALA 240.A O no hydrogen 2.941 N/A LYS 245.A N VAL 241.A O no hydrogen 2.632 N/A ALA 246.A N LYS 242.A O no hydrogen 2.989 N/A ALA 247.A N SER 243.A O no hydrogen 3.049 N/A SER 248.A N ILE 244.A O no hydrogen 2.798 N/A SER 248.A OG ILE 244.A O no hydrogen 2.812 N/A SER 248.A OG LYS 245.A O no hydrogen 3.084 N/A SER 249.A N LYS 245.A O no hydrogen 2.510 N/A GLU 251.A N SER 248.A O no hydrogen 3.194 N/A PHE 257.A N PRO 254.A O no hydrogen 2.760 N/A GLY 260.A N PHE 257.A O no hydrogen 2.840 N/A GLN 262.A N GLY 256.A O no hydrogen 2.827 N/A VAL 264.A N TYR 305.A O no hydrogen 2.547 N/A GLN 267.A N THR 269.A OG1 no hydrogen 2.824 N/A THR 269.A OG1 GLN 267.A O no hydrogen 3.157 N/A THR 270.A OG1 TYR 305.A OH no hydrogen 2.770 N/A ILE 274.A N PRO 271.A O no hydrogen 2.979 N/A PHE 275.A N TRP 272.A O no hydrogen 2.688 N/A VAL 277.A N ASN 205.A OD1 no hydrogen 2.719 N/A ILE 278.A N ILE 295.A O no hydrogen 2.922 N/A SER 279.A N GLU 203.A O no hydrogen 3.010 N/A SER 279.A OG THR 294.A OG1 no hydrogen 2.548 N/A LEU 280.A N ILE 293.A O no hydrogen 2.735 N/A TYR 281.A N ARG 201.A O no hydrogen 2.656 N/A TYR 281.A OH GLU 203.A OE2 no hydrogen 2.676 N/A LEU 282.A N PHE 291.A O no hydrogen 2.806 N/A MET 283.A N ILE 198.A O no hydrogen 2.863 N/A GLY 284.A N GLN 289.A O no hydrogen 2.572 N/A ASN 288.A ND2 THR 361.A O no hydrogen 3.274 N/A GLN 289.A N VAL 286.A O no hydrogen 2.520 N/A SER 290.A N PHE 359.A O no hydrogen 2.870 N/A SER 290.A OG PHE 359.A O no hydrogen 3.141 N/A PHE 291.A N LEU 282.A O no hydrogen 3.140 N/A ARG 292.A N GLU 356.A O no hydrogen 2.723 N/A ARG 292.A NE GLU 356.A OE2 no hydrogen 2.710 N/A ARG 292.A NH1 TYR 281.A OH no hydrogen 2.949 N/A ARG 292.A NH2 GLU 356.A OE2 no hydrogen 2.907 N/A ILE 293.A N LEU 280.A O no hydrogen 2.837 N/A THR 294.A N ALA 354.A O no hydrogen 2.839 N/A THR 294.A OG1 SER 279.A OG no hydrogen 2.548 N/A ILE 295.A N ILE 278.A O no hydrogen 2.756 N/A GLN 299.A N LEU 296.A O no hydrogen 2.867 N/A TYR 300.A N LEU 296.A O no hydrogen 3.393 N/A TYR 300.A OH PRO 276.A O no hydrogen 2.543 N/A LEU 301.A N PRO 297.A O no hydrogen 2.875 N/A ARG 302.A N LYS 306.A O no hydrogen 2.955 N/A TYR 305.A N VAL 264.A O no hydrogen 2.415 N/A TYR 305.A OH THR 270.A OG1 no hydrogen 2.770 N/A LYS 306.A N ARG 302.A O no hydrogen 2.735 N/A ALA 308.A N TYR 300.A O no hydrogen 2.642 N/A SER 310.A N LEU 230.A O no hydrogen 3.068 N/A SER 310.A OG ASN 229.A OD1 no hydrogen 3.360 N/A SER 312.A N LEU 232.A O no hydrogen 2.801 N/A SER 312.A OG GLY 315.A O no hydrogen 2.616 N/A THR 314.A N SER 312.A OG no hydrogen 2.974 N/A THR 314.A OG1 SER 312.A OG no hydrogen 3.351 N/A THR 316.A N LYS 220.A O no hydrogen 2.741 N/A THR 316.A OG1 TYR 216.A O no hydrogen 2.670 N/A VAL 317.A N ARG 231.A O no hydrogen 2.735 N/A MET 318.A N ILE 222.A O no hydrogen 2.897 N/A GLY 319.A N ASN 229.A O no hydrogen 3.231 N/A ALA 320.A N THR 227.A O no hydrogen 2.745 N/A VAL 321.A N THR 228.A O no hydrogen 2.976 N/A ILE 322.A N GLY 319.A O no hydrogen 2.847 N/A MET 323.A N GLY 319.A O no hydrogen 2.967 N/A GLU 324.A N ALA 320.A O no hydrogen 2.626 N/A PHE 326.A N MET 323.A O no hydrogen 2.999 N/A TYR 327.A N ALA 340.A O no hydrogen 2.736 N/A VAL 328.A N LEU 154.A O no hydrogen 2.943 N/A VAL 329.A N GLY 338.A O no hydrogen 2.794 N/A PHE 330.A N PHE 152.A O no hydrogen 2.775 N/A ASP 331.A N ARG 336.A O no hydrogen 2.848 N/A ARG 332.A N PHE 330.A O no hydrogen 2.974 N/A ARG 332.A NE ASN 150.A OD1 no hydrogen 2.840 N/A ARG 332.A NH1 TYR 195.A OH no hydrogen 2.948 N/A ARG 332.A NH2 ASP 140.A OD2 no hydrogen 3.370 N/A ALA 333.A N ASN 150.A O no hydrogen 2.938 N/A ARG 334.A N ASP 331.A O no hydrogen 3.296 N/A ARG 334.A N ASP 331.A OD1 no hydrogen 3.005 N/A LYS 335.A N ARG 332.A O no hydrogen 3.238 N/A ARG 336.A N ASP 331.A O no hydrogen 2.940 N/A ARG 336.A NE ASP 331.A OD2 no hydrogen 2.773 N/A ARG 336.A NH1 GLU 285.A OE2 no hydrogen 2.950 N/A ARG 336.A NH2 ASP 331.A OD2 no hydrogen 3.299 N/A ILE 337.A N THR 187.A O no hydrogen 2.867 N/A GLY 338.A N VAL 329.A O no hydrogen 2.854 N/A PHE 339.A N TRP 185.A O no hydrogen 2.716 N/A ALA 340.A N TYR 327.A O no hydrogen 3.103 N/A SER 342.A N GLY 325.A O no hydrogen 3.037 N/A SER 342.A OG GLN 155.A OE1 no hydrogen 2.785 N/A SER 342.A OG CYS 344.A O no hydrogen 3.370 N/A ALA 343.A N LEU 179.A O no hydrogen 2.815 N/A CYS 344.A N GLN 155.A OE1 no hydrogen 3.288 N/A CYS 344.A N SER 342.A OG no hydrogen 3.179 N/A CYS 344.A SG GLN 155.A OE1 no hydrogen 3.293 N/A CYS 344.A SG SER 342.A OG no hydrogen 3.036 N/A HIS 345.A ND1 VAL 346.A O no hydrogen 3.137 N/A HIS 347.A ND1 ASP 348.A O no hydrogen 2.885 N/A PHE 350.A N ASP 348.A OD2 no hydrogen 2.996 N/A ARG 351.A N ASP 348.A OD2 no hydrogen 2.695 N/A ARG 351.A NH1 PHE 275.A O no hydrogen 2.419 N/A ARG 351.A NH2 TRP 272.A O no hydrogen 3.263 N/A ARG 351.A NH2 PHE 275.A O no hydrogen 2.878 N/A THR 352.A OG1 ALA 353.A O no hydrogen 3.432 N/A ALA 354.A N THR 294.A O no hydrogen 3.049 N/A GLU 356.A N ARG 292.A O no hydrogen 2.923 N/A PHE 359.A N SER 290.A O no hydrogen 2.738 N/A THR 361.A N ASN 288.A O no hydrogen 2.792 N/A GLU 365.A N ASP 363.A O no hydrogen 2.740 N/A CYS 367.A N MET 364.A O no hydrogen 3.118 N/A