Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2bgq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 GLU 261.A OE1 no hydrogen 3.084 N/A GLN 5.A NE2 HIS 7.A O no hydrogen 2.636 N/A HIS 7.A ND1 ASP 6.A OD1 no hydrogen 2.664 N/A PHE 8.A N MET 16.A O no hydrogen 2.743 N/A LEU 10.A N HIS 14.A O no hydrogen 2.753 N/A SER 12.A OG HIS 14.A ND1 no hydrogen 2.600 N/A SER 12.A OG ASP 150.A OD1 no hydrogen 3.186 N/A SER 12.A OG ASP 150.A OD2 no hydrogen 3.001 N/A GLY 13.A N LEU 10.A O no hydrogen 2.566 N/A HIS 14.A N SER 12.A OG no hydrogen 3.306 N/A HIS 14.A ND1 SER 12.A OG no hydrogen 2.600 N/A MET 16.A N PHE 8.A O no hydrogen 2.653 N/A ALA 18.A N ASP 6.A O no hydrogen 2.956 N/A GLY 20.A N VAL 241.A O no hydrogen 3.065 N/A LEU 21.A N HIS 41.A O no hydrogen 2.645 N/A GLY 22.A N PRO 243.A O no hydrogen 3.371 N/A THR 23.A OG1 ASP 43.A O no hydrogen 2.860 N/A THR 23.A OG1 THR 44.A OG1 no hydrogen 2.802 N/A HIS 28.A NE2 ASP 248.A OD1 no hydrogen 2.744 N/A SER 29.A N ASP 25.A O no hydrogen 3.140 N/A VAL 30.A N THR 26.A O no hydrogen 2.876 N/A ARG 31.A N ALA 27.A O no hydrogen 2.894 N/A THR 32.A N HIS 28.A O no hydrogen 2.756 N/A THR 32.A OG1 HIS 28.A O no hydrogen 2.830 N/A ALA 33.A N SER 29.A O no hydrogen 2.765 N/A ILE 34.A N VAL 30.A O no hydrogen 3.135 N/A THR 35.A N ARG 31.A O no hydrogen 2.963 N/A THR 35.A OG1 ARG 31.A O no hydrogen 2.967 N/A GLU 36.A N THR 32.A O no hydrogen 2.798 N/A ALA 37.A N THR 32.A O no hydrogen 3.271 N/A TYR 39.A N ALA 33.A O no hydrogen 2.770 N/A TYR 39.A OH ILE 251.A O no hydrogen 2.739 N/A ARG 40.A NH1 ILE 34.A O no hydrogen 2.845 N/A ARG 40.A NH1 TYR 39.A O no hydrogen 2.521 N/A HIS 41.A ND1 PRO 17.A O no hydrogen 2.896 N/A VAL 42.A N PHE 72.A O no hydrogen 2.861 N/A ASP 43.A N LEU 21.A O no hydrogen 2.755 N/A THR 44.A N THR 74.A O no hydrogen 2.996 N/A THR 44.A OG1 THR 23.A OG1 no hydrogen 2.802 N/A ALA 45.A N THR 44.A OG1 no hydrogen 2.712 N/A TYR 48.A N ALA 45.A O no hydrogen 3.219 N/A GLY 49.A N ALA 46.A O no hydrogen 3.051 N/A VAL 54.A N VAL 50.A O no hydrogen 2.857 N/A GLY 55.A N GLU 51.A O no hydrogen 2.661 N/A LYS 56.A N LYS 52.A O no hydrogen 3.093 N/A LYS 56.A NZ GLU 53.A OE2 no hydrogen 3.087 N/A GLY 57.A N GLU 53.A O no hydrogen 2.867 N/A LEU 58.A N VAL 54.A O no hydrogen 2.736 N/A LYS 59.A N GLY 55.A O no hydrogen 2.821 N/A LYS 59.A NZ GLU 63.A OE1 no hydrogen 3.312 N/A LYS 59.A NZ GLU 63.A OE2 no hydrogen 3.127 N/A ALA 60.A N LYS 56.A O no hydrogen 3.158 N/A ALA 61.A N GLY 57.A O no hydrogen 3.257 N/A MET 62.A N LEU 58.A O no hydrogen 3.021 N/A GLU 63.A N LYS 59.A O no hydrogen 2.803 N/A ALA 64.A N ALA 61.A O no hydrogen 3.270 N/A GLY 65.A N MET 62.A O no hydrogen 2.865 N/A ILE 66.A N ALA 61.A O no hydrogen 3.201 N/A ARG 68.A NH1 ARG 68.A O no hydrogen 2.951 N/A ARG 68.A NH1 LEU 71.A O no hydrogen 2.985 N/A ARG 68.A NH1 ASP 104.A OD2 no hydrogen 3.139 N/A ARG 68.A NH2 TYR 102.A O no hydrogen 2.938 N/A ARG 68.A NH2 ASP 104.A OD2 no hydrogen 2.964 N/A ASP 70.A N ASP 67.A O no hydrogen 2.856 N/A LEU 71.A N ARG 68.A O no hydrogen 2.856 N/A PHE 72.A N ARG 40.A O no hydrogen 2.569 N/A VAL 73.A N ASP 104.A OD2 no hydrogen 2.833 N/A THR 74.A N VAL 42.A O no hydrogen 2.993 N/A SER 75.A N LEU 105.A O no hydrogen 2.925 N/A SER 75.A OG GLU 51.A OE1 no hydrogen 2.380 N/A LYS 76.A NZ ASP 43.A OD1 no hydrogen 3.284 N/A LYS 76.A NZ ASP 43.A OD2 no hydrogen 2.790 N/A LYS 76.A NZ THR 44.A O no hydrogen 2.704 N/A LYS 76.A NZ TYR 48.A OH no hydrogen 3.490 N/A ILE 77.A N HIS 107.A O no hydrogen 3.011 N/A CYS 79.A SG PHE 112.A O no hydrogen 3.391 N/A ASN 81.A N TRP 78.A O no hydrogen 2.794 N/A LEU 82.A N CYS 79.A O no hydrogen 3.176 N/A ARG 86.A N ALA 83.A O no hydrogen 2.841 N/A ARG 86.A NE ASN 81.A OD1 no hydrogen 2.895 N/A ARG 86.A NH1 ASP 116.A OD1 no hydrogen 3.465 N/A ARG 86.A NH1 ASP 116.A OD2 no hydrogen 2.876 N/A ARG 86.A NH2 ASN 81.A OD1 no hydrogen 2.652 N/A ARG 86.A NH2 ASP 116.A OD1 no hydrogen 2.969 N/A VAL 87.A N PRO 84.A O no hydrogen 3.435 N/A ARG 88.A NH1 ASP 145.A OD2 no hydrogen 3.087 N/A ARG 88.A NH2 ASP 145.A OD2 no hydrogen 2.659 N/A ALA 90.A N ARG 86.A O no hydrogen 3.345 N/A LEU 91.A N VAL 87.A O no hydrogen 3.129 N/A GLU 92.A N ARG 88.A O no hydrogen 2.988 N/A ASN 93.A N PRO 89.A O no hydrogen 3.075 N/A THR 94.A N ALA 90.A O no hydrogen 3.033 N/A THR 94.A OG1 GLU 51.A OE1 no hydrogen 3.340 N/A THR 94.A OG1 GLU 51.A OE2 no hydrogen 3.442 N/A THR 94.A OG1 ALA 90.A O no hydrogen 3.274 N/A LEU 95.A N LEU 91.A O no hydrogen 2.791 N/A LYS 96.A N GLU 92.A O no hydrogen 2.985 N/A ASP 97.A N ASN 93.A O no hydrogen 3.034 N/A LEU 98.A N THR 94.A O no hydrogen 2.949 N/A GLN 99.A N LYS 96.A O no hydrogen 3.080 N/A LEU 100.A N LEU 95.A O no hydrogen 2.902 N/A ILE 103.A N LEU 147.A O no hydrogen 2.908 N/A ASP 104.A N VAL 73.A O no hydrogen 3.016 N/A LEU 105.A N VAL 73.A O no hydrogen 3.127 N/A TYR 106.A N ASP 150.A O no hydrogen 2.895 N/A HIS 107.A N SER 75.A O no hydrogen 2.869 N/A ILE 108.A N GLY 152.A O no hydrogen 2.996 N/A HIS 109.A N ILE 77.A O no hydrogen 3.265 N/A LEU 114.A N CYS 79.A O no hydrogen 3.337 N/A LYS 115.A N GLU 126.A O no hydrogen 2.742 N/A HIS 119.A N GLU 126.A OE1 no hydrogen 2.903 N/A HIS 119.A ND1 GLU 126.A OE2 no hydrogen 2.924 N/A GLU 123.A N GLU 126.A OE1 no hydrogen 2.791 N/A GLU 126.A N GLU 123.A O no hydrogen 3.304 N/A MET 132.A N PHE 130.A O no hydrogen 2.752 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.611 N/A GLY 134.A N ASP 131.A OD1 no hydrogen 2.970 N/A VAL 135.A N ASP 131.A O no hydrogen 2.913 N/A TRP 136.A N MET 132.A O no hydrogen 2.909 N/A TRP 136.A NE1 ILE 170.A O no hydrogen 2.994 N/A LYS 137.A N GLU 133.A O no hydrogen 2.985 N/A GLU 138.A N GLY 134.A O no hydrogen 3.393 N/A MET 139.A N VAL 135.A O no hydrogen 2.956 N/A GLU 140.A N TRP 136.A O no hydrogen 2.751 N/A ASN 141.A N LYS 137.A O no hydrogen 3.056 N/A ASN 141.A ND2 GLU 138.A OE1 no hydrogen 3.556 N/A LEU 142.A N MET 139.A O no hydrogen 2.932 N/A VAL 143.A N MET 139.A O no hydrogen 3.357 N/A LYS 144.A N GLU 140.A O no hydrogen 3.007 N/A ASP 145.A N ASN 141.A O no hydrogen 2.955 N/A GLY 146.A N VAL 143.A O no hydrogen 2.911 N/A LEU 147.A N LEU 142.A O no hydrogen 3.104 N/A VAL 148.A N LEU 142.A O no hydrogen 3.294 N/A LYS 149.A N ILE 103.A O no hydrogen 3.040 N/A ASP 150.A N ASP 104.A O no hydrogen 2.699 N/A GLY 152.A N TYR 106.A O no hydrogen 2.873 N/A VAL 153.A N VAL 174.A O no hydrogen 2.954 N/A CYS 154.A N ILE 108.A O no hydrogen 2.970 N/A ASN 155.A N GLN 176.A O no hydrogen 3.029 N/A ASN 155.A ND2 HIS 109.A O no hydrogen 2.846 N/A THR 157.A OG1 ASP 302.A OD2 no hydrogen 2.333 N/A VAL 158.A N GLU 304.A OE2 no hydrogen 2.491 N/A THR 159.A N GLU 304.A OE1 no hydrogen 3.098 N/A THR 159.A OG1 GLU 304.A OE1 no hydrogen 2.962 N/A LYS 160.A N THR 157.A OG1 no hydrogen 3.114 N/A LYS 160.A NZ VAL 300.A O no hydrogen 3.244 N/A LYS 160.A NZ ASP 302.A OD2 no hydrogen 3.472 N/A LEU 161.A N THR 157.A O no hydrogen 2.796 N/A ASN 162.A N VAL 158.A O no hydrogen 2.755 N/A ARG 163.A N THR 159.A O no hydrogen 3.065 N/A ARG 163.A NE GLU 133.A OE2 no hydrogen 2.721 N/A ARG 163.A NH2 PHE 130.A O no hydrogen 3.172 N/A ARG 163.A NH2 GLU 133.A OE1 no hydrogen 3.065 N/A ARG 163.A NH2 GLU 133.A OE2 no hydrogen 3.483 N/A LEU 164.A N LYS 160.A O no hydrogen 2.863 N/A LEU 165.A N LEU 161.A O no hydrogen 2.913 N/A ARG 166.A N ASN 162.A O no hydrogen 3.045 N/A ARG 166.A N ARG 163.A O no hydrogen 3.197 N/A ALA 168.A N LEU 164.A O no hydrogen 3.162 N/A LYS 169.A N GLU 140.A OE2 no hydrogen 2.666 N/A ILE 170.A N GLU 140.A OE2 no hydrogen 2.734 N/A ALA 173.A N ILE 151.A O no hydrogen 2.977 N/A CYS 175.A N HIS 198.A O no hydrogen 2.882 N/A GLN 176.A N VAL 153.A O no hydrogen 2.664 N/A GLN 176.A NE2 ASP 43.A OD1 no hydrogen 3.259 N/A MET 177.A N THR 200.A O no hydrogen 2.845 N/A MET 179.A N TYR 202.A O no hydrogen 3.119 N/A HIS 180.A N TRP 183.A O no hydrogen 2.846 N/A HIS 180.A NE2 GLU 178.A OE1 no hydrogen 2.903 N/A TRP 183.A N HIS 180.A ND1 no hydrogen 3.158 N/A LYS 184.A N ASP 275.A OD2 no hydrogen 2.651 N/A LYS 184.A NZ CYS 271.A O no hydrogen 2.906 N/A LYS 184.A NZ ASP 275.A OD1 no hydrogen 2.848 N/A ASN 185.A N ASP 275.A OD2 no hydrogen 3.442 N/A ILE 188.A N ASN 185.A OD1 no hydrogen 3.482 N/A PHE 189.A N ASN 185.A O no hydrogen 3.168 N/A GLU 190.A N ASP 186.A O no hydrogen 2.605 N/A ALA 191.A N LYS 187.A O no hydrogen 2.947 N/A CYS 192.A N ILE 188.A O no hydrogen 2.900 N/A CYS 192.A SG ILE 188.A O no hydrogen 3.221 N/A LYS 193.A N PHE 189.A O no hydrogen 2.817 N/A LYS 194.A N GLU 190.A O no hydrogen 3.114 N/A HIS 195.A N ALA 191.A O no hydrogen 3.381 N/A GLY 196.A N LYS 193.A O no hydrogen 3.036 N/A ILE 197.A N CYS 192.A O no hydrogen 2.881 N/A HIS 198.A N ALA 173.A O no hydrogen 3.052 N/A HIS 198.A NE2 SER 240.A OG no hydrogen 2.739 N/A THR 200.A N CYS 175.A O no hydrogen 3.013 N/A THR 200.A OG1 SER 240.A OG no hydrogen 2.513 N/A ALA 201.A N SER 240.A O no hydrogen 3.014 N/A TYR 202.A N MET 177.A O no hydrogen 2.807 N/A TYR 202.A OH ASN 155.A OD1 no hydrogen 2.576 N/A GLY 206.A N SER 203.A O no hydrogen 2.950 N/A LYS 207.A NZ ARG 278.A O no hydrogen 2.836 N/A ASN 208.A ND2 LEU 205.A O no hydrogen 3.181 N/A LEU 209.A N LEU 205.A O no hydrogen 2.826 N/A HIS 211.A N ASN 208.A O no hydrogen 3.044 N/A ASP 212.A N LEU 209.A O no hydrogen 2.889 N/A VAL 214.A N ASP 212.A OD1 no hydrogen 2.784 N/A GLU 216.A N ASP 212.A O no hydrogen 3.018 N/A LYS 217.A N PRO 213.A O no hydrogen 2.794 N/A VAL 218.A N VAL 214.A O no hydrogen 3.422 N/A ALA 219.A N VAL 215.A O no hydrogen 2.831 N/A ASN 220.A N GLU 216.A O no hydrogen 2.822 N/A LYS 221.A N LYS 217.A O no hydrogen 3.192 N/A LYS 221.A NZ ASP 266.A OD1 no hydrogen 2.920 N/A LEU 222.A N VAL 218.A O no hydrogen 3.028 N/A ASN 223.A N ASN 220.A O no hydrogen 3.139 N/A LYS 224.A N ALA 219.A O no hydrogen 2.886 N/A THR 225.A N GLN 228.A OE1 no hydrogen 3.032 N/A GLN 228.A N THR 225.A OG1 no hydrogen 3.211 N/A GLN 228.A NE2 GLU 253.A O no hydrogen 2.899 N/A VAL 229.A N THR 225.A O no hydrogen 3.059 N/A LEU 230.A N PRO 226.A O no hydrogen 2.889 N/A ILE 231.A N GLY 227.A O no hydrogen 2.896 N/A LYS 232.A N GLN 228.A O no hydrogen 2.733 N/A LYS 232.A NZ GLY 3.A O no hydrogen 2.669 N/A LYS 232.A NZ GLU 4.A OE1 no hydrogen 2.903 N/A LYS 232.A NZ VAL 257.A O no hydrogen 2.883 N/A LYS 232.A NZ TRP 260.A O no hydrogen 2.877 N/A TRP 233.A N VAL 229.A O no hydrogen 2.723 N/A ALA 234.A N LEU 230.A O no hydrogen 3.423 N/A LEU 235.A N ILE 231.A O no hydrogen 3.221 N/A GLN 236.A N LYS 232.A O no hydrogen 2.899 N/A GLN 236.A NE2 ILE 262.A O no hydrogen 3.254 N/A ARG 237.A N ALA 234.A O no hydrogen 2.957 N/A ARG 237.A NH2 LYS 184.A O no hydrogen 2.607 N/A ARG 237.A NH2 ASP 186.A OD1 no hydrogen 3.338 N/A GLY 238.A N LEU 235.A O no hydrogen 2.798 N/A THR 239.A N ALA 234.A O no hydrogen 3.184 N/A THR 239.A OG1 ALA 234.A O no hydrogen 3.347 N/A THR 239.A OG1 SER 240.A O no hydrogen 3.000 N/A SER 240.A N ILE 199.A O no hydrogen 3.119 N/A SER 240.A OG HIS 198.A NE2 no hydrogen 2.739 N/A SER 240.A OG ILE 199.A O no hydrogen 3.426 N/A SER 240.A OG THR 200.A OG1 no hydrogen 2.513 N/A VAL 241.A N ALA 18.A O no hydrogen 2.777 N/A ILE 242.A N ALA 201.A O no hydrogen 3.234 N/A SER 245.A OG LYS 247.A O no hydrogen 3.497 N/A ILE 251.A N LYS 247.A O no hydrogen 2.889 N/A LYS 252.A N ASP 248.A O no hydrogen 2.743 N/A GLU 253.A N GLU 249.A O no hydrogen 2.883 N/A ASN 254.A N ARG 250.A O no hydrogen 2.718 N/A ILE 255.A N LYS 252.A O no hydrogen 3.422 N/A GLN 256.A N GLU 253.A O no hydrogen 2.869 N/A GLN 256.A NE2 LYS 252.A O no hydrogen 2.882 N/A GLY 259.A N GLU 4.A OE2 no hydrogen 3.286 N/A TRP 260.A NE1 GLN 256.A O no hydrogen 3.297 N/A ILE 262.A N GLN 236.A OE1 no hydrogen 2.531 N/A PHE 267.A N PRO 263.A O no hydrogen 2.943 N/A LYS 268.A N GLU 264.A O no hydrogen 2.830 N/A VAL 269.A N GLU 265.A O no hydrogen 2.933 N/A LEU 270.A N ASP 266.A O no hydrogen 3.091 N/A CYS 271.A N PHE 267.A O no hydrogen 3.147 N/A CYS 271.A SG PHE 267.A O no hydrogen 3.548 N/A SER 272.A N LYS 268.A O no hydrogen 2.962 N/A SER 272.A N VAL 269.A O no hydrogen 2.845 N/A SER 272.A OG LYS 268.A O no hydrogen 2.693 N/A LYS 274.A NZ GLU 276.A OE1 no hydrogen 3.007 N/A GLU 276.A N GLY 182.A O no hydrogen 3.101 N/A LYS 277.A N GLY 182.A O no hydrogen 3.347 N/A LYS 277.A NZ ASP 212.A OD2 no hydrogen 2.863 N/A ARG 278.A NH1 ASN 305.A OD1 no hydrogen 2.800 N/A VAL 279.A N GLU 178.A OE1 no hydrogen 2.643 N/A LEU 280.A N GLU 178.A OE2 no hydrogen 3.133 N/A THR 281.A OG1 GLU 283.A OE1 no hydrogen 2.873 N/A THR 281.A OG1 GLU 284.A OE2 no hydrogen 3.123 N/A GLU 283.A N THR 281.A OG1 no hydrogen 3.264 N/A PHE 286.A N GLY 282.A O no hydrogen 3.023 N/A VAL 287.A N GLU 283.A O no hydrogen 3.299 N/A ASN 288.A N TYR 294.A O no hydrogen 2.877 N/A ASN 288.A ND2 PRO 122.A O no hydrogen 2.944 N/A THR 290.A N ASN 288.A O no hydrogen 2.574 N/A HIS 291.A N ASN 288.A OD1 no hydrogen 2.715 N/A GLY 292.A N ASN 288.A O no hydrogen 3.010 N/A GLY 292.A N ASN 288.A OD1 no hydrogen 3.257 N/A ARG 295.A NE THR 290.A O no hydrogen 2.845 N/A SER 296.A OG ASP 299.A OD2 no hydrogen 2.858 N/A ASP 299.A N SER 296.A OG no hydrogen 3.364 N/A TRP 301.A N ALA 297.A O no hydrogen 3.080 N/A TRP 301.A N ARG 298.A O no hydrogen 3.075 N/A TRP 301.A NE1 THR 281.A O no hydrogen 2.656 N/A ASP 302.A N ASP 299.A O no hydrogen 3.237 N/A HIS 303.A N ARG 298.A O no hydrogen 2.647 N/A HIS 303.A NE2 ASP 299.A OD1 no hydrogen 2.581 N/A GLU 304.A N TRP 301.A O no hydrogen 3.028 N/A ASN 305.A ND2 TRP 301.A O no hydrogen 3.490 N/A