Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w8q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N GLN 8.A OE1 no hydrogen 2.978 N/A GLN 7.A N ASP 5.A OD2 no hydrogen 2.996 N/A GLN 8.A N ASP 5.A O no hydrogen 2.561 N/A GLN 8.A NE2 TYR 87.A OH no hydrogen 3.047 N/A ARG 9.A N ASP 5.A O no hydrogen 3.013 N/A ARG 9.A NE ARG 9.A O no hydrogen 2.946 N/A LYS 10.A N GLU 6.A O no hydrogen 2.806 N/A ARG 11.A N GLN 7.A O no hydrogen 3.113 N/A ARG 11.A NH1 GLU 165.A OE2 no hydrogen 2.898 N/A LEU 12.A N GLN 8.A O no hydrogen 3.033 N/A GLU 13.A N ARG 9.A O no hydrogen 3.136 N/A ALA 14.A N LYS 10.A O no hydrogen 2.814 N/A PHE 15.A N ARG 11.A O no hydrogen 3.080 N/A LEU 16.A N LEU 12.A O no hydrogen 2.874 N/A THR 17.A N GLU 13.A O no hydrogen 2.764 N/A THR 17.A OG1 GLU 13.A O no hydrogen 2.734 N/A GLN 18.A N ALA 14.A O no hydrogen 3.194 N/A LYS 19.A N PHE 15.A O no hydrogen 2.916 N/A LYS 19.A N LEU 16.A O no hydrogen 3.079 N/A LYS 19.A NZ GLU 82.A OE2 no hydrogen 2.704 N/A LYS 19.A NZ PHE 91.A O no hydrogen 2.483 N/A GLN 20.A N LEU 16.A O no hydrogen 3.277 N/A LYS 21.A N GLN 18.A O no hydrogen 3.006 N/A VAL 22.A N LYS 19.A O no hydrogen 2.993 N/A LYS 26.A NZ ASP 29.A OD2 no hydrogen 2.936 N/A ASP 29.A N LYS 26.A O no hydrogen 2.896 N/A PHE 30.A N ASP 27.A O no hydrogen 3.095 N/A GLU 31.A N SER 48.A O no hydrogen 2.863 N/A ILE 33.A N LYS 46.A O no hydrogen 2.828 N/A SER 34.A N LYS 46.A O no hydrogen 3.258 N/A LEU 36.A N VAL 44.A O no hydrogen 2.763 N/A GLY 37.A N VAL 44.A O no hydrogen 3.301 N/A GLY 39.A N GLY 42.A O no hydrogen 2.574 N/A ASN 40.A ND2 SER 174.A OG no hydrogen 3.134 N/A VAL 43.A N LEU 60.A O no hydrogen 3.282 N/A VAL 44.A N GLY 37.A O no hydrogen 2.753 N/A PHE 45.A N ARG 58.A O no hydrogen 2.817 N/A LYS 46.A N SER 34.A O no hydrogen 2.773 N/A VAL 47.A N MET 56.A O no hydrogen 3.040 N/A SER 48.A N GLU 31.A O no hydrogen 3.010 N/A SER 48.A OG GLU 31.A OE1 no hydrogen 2.651 N/A HIS 49.A N LEU 54.A O no hydrogen 2.757 N/A HIS 49.A ND1 SER 52.A OG no hydrogen 3.044 N/A LYS 50.A N ASP 29.A O no hydrogen 2.661 N/A SER 52.A N HIS 49.A ND1 no hydrogen 3.354 N/A SER 52.A OG HIS 49.A ND1 no hydrogen 3.044 N/A GLY 53.A N HIS 49.A O no hydrogen 2.716 N/A MET 56.A N VAL 47.A O no hydrogen 2.763 N/A ALA 57.A N MET 105.A O no hydrogen 2.936 N/A ARG 58.A N PHE 45.A O no hydrogen 2.871 N/A ARG 58.A NE SER 102.A OG no hydrogen 2.694 N/A ARG 58.A NH1 ASP 27.A OD1 no hydrogen 2.908 N/A ARG 58.A NH2 ASP 27.A OD1 no hydrogen 2.776 N/A ARG 58.A NH2 SER 102.A OG no hydrogen 3.035 N/A LYS 59.A N ILE 103.A O no hydrogen 2.887 N/A LEU 60.A N VAL 43.A O no hydrogen 2.772 N/A ILE 61.A N ILE 101.A O no hydrogen 2.898 N/A HIS 62.A N GLY 41.A O no hydrogen 3.345 N/A LEU 63.A N GLY 99.A O no hydrogen 3.169 N/A ILE 65.A N TYR 96.A OH no hydrogen 3.340 N/A ILE 69.A N LYS 66.A O no hydrogen 3.030 N/A ARG 70.A N PRO 67.A O no hydrogen 2.903 N/A ARG 70.A NE ILE 65.A O no hydrogen 2.957 N/A ARG 70.A NH2 ILE 65.A O no hydrogen 2.718 N/A GLN 72.A NE2 ALA 68.A O no hydrogen 3.139 N/A ILE 73.A N ILE 69.A O no hydrogen 3.472 N/A GLU 76.A N GLN 72.A O no hydrogen 3.227 N/A LEU 77.A N ILE 73.A O no hydrogen 2.828 N/A GLN 78.A N ILE 74.A O no hydrogen 2.967 N/A VAL 79.A N ARG 75.A O no hydrogen 3.161 N/A LEU 80.A N GLU 76.A O no hydrogen 2.636 N/A HIS 81.A N LEU 77.A O no hydrogen 2.767 N/A GLU 82.A N GLN 78.A O no hydrogen 3.137 N/A CYS 83.A SG HIS 146.A NE2 no hydrogen 3.466 N/A ASN 84.A N TYR 141.A OH no hydrogen 2.836 N/A TYR 87.A N SER 85.A OG no hydrogen 2.913 N/A VAL 89.A N LEU 168.A O no hydrogen 3.052 N/A GLY 90.A N GLU 106.A OE1 no hydrogen 2.872 N/A TYR 92.A N CYS 104.A O no hydrogen 2.722 N/A GLY 93.A N CYS 104.A O no hydrogen 3.375 N/A PHE 95.A N SER 102.A O no hydrogen 2.936 N/A SER 97.A N GLU 100.A O no hydrogen 2.835 N/A ILE 101.A N ILE 61.A O no hydrogen 3.005 N/A SER 102.A N PHE 95.A O no hydrogen 2.622 N/A ILE 103.A N LYS 59.A O no hydrogen 2.904 N/A CYS 104.A N GLY 93.A O no hydrogen 2.743 N/A MET 105.A N ALA 57.A O no hydrogen 2.768 N/A GLU 106.A N GLY 90.A O no hydrogen 2.769 N/A GLY 111.A N MET 108.A O no hydrogen 3.149 N/A SER 112.A N GLN 115.A OE1 no hydrogen 2.894 N/A SER 112.A OG ASP 114.A OD2 no hydrogen 2.562 N/A SER 112.A OG GLN 115.A OE1 no hydrogen 2.946 N/A LEU 113.A N PRO 155.A O no hydrogen 3.081 N/A LEU 113.A N ILE 158.A O no hydrogen 2.971 N/A GLN 115.A N SER 112.A O no hydrogen 3.058 N/A GLN 115.A NE2 LEU 36.A O no hydrogen 2.708 N/A VAL 116.A N SER 112.A O no hydrogen 3.018 N/A LEU 117.A N LEU 113.A O no hydrogen 2.695 N/A LYS 118.A N ASP 114.A O no hydrogen 3.457 N/A LYS 119.A N GLN 115.A O no hydrogen 3.019 N/A ALA 120.A N VAL 116.A O no hydrogen 2.860 N/A ARG 122.A NH1 MET 236.A O no hydrogen 2.890 N/A ILE 123.A N MET 218.A O no hydrogen 3.026 N/A LEU 128.A N PRO 124.A O no hydrogen 2.969 N/A GLY 129.A N GLU 125.A O no hydrogen 2.780 N/A LYS 130.A N GLN 126.A O no hydrogen 3.369 N/A LYS 130.A NZ SER 300.A O no hydrogen 2.595 N/A LYS 130.A NZ GLU 303.A O no hydrogen 2.643 N/A VAL 131.A N ILE 127.A O no hydrogen 2.953 N/A SER 132.A N LEU 128.A O no hydrogen 2.714 N/A SER 132.A OG LEU 128.A O no hydrogen 2.863 N/A ILE 133.A N GLY 129.A O no hydrogen 3.290 N/A ALA 134.A N LYS 130.A O no hydrogen 3.238 N/A VAL 135.A N VAL 131.A O no hydrogen 2.939 N/A ILE 136.A N SER 132.A O no hydrogen 2.864 N/A LYS 137.A N ILE 133.A O no hydrogen 2.807 N/A LYS 137.A NZ GLU 1.A O no hydrogen 2.964 N/A LYS 137.A NZ TYR 87.A OH no hydrogen 3.192 N/A GLY 138.A N ALA 134.A O no hydrogen 2.789 N/A LEU 139.A N VAL 135.A O no hydrogen 2.765 N/A THR 140.A N ILE 136.A O no hydrogen 2.936 N/A THR 140.A OG1 ILE 136.A O no hydrogen 2.909 N/A TYR 141.A N LYS 137.A O no hydrogen 3.034 N/A LEU 142.A N GLY 138.A O no hydrogen 2.954 N/A ARG 143.A N LEU 139.A O no hydrogen 2.992 N/A ARG 143.A NH1 TYR 202.A O no hydrogen 2.985 N/A ARG 143.A NH2 TYR 202.A O no hydrogen 3.421 N/A ARG 143.A NH2 ASP 207.A OD1 no hydrogen 3.250 N/A GLU 144.A N THR 140.A O no hydrogen 2.967 N/A LYS 145.A N TYR 141.A O no hydrogen 3.028 N/A HIS 146.A N LEU 142.A O no hydrogen 2.995 N/A ARG 151.A N ASP 207.A OD2 no hydrogen 3.398 N/A ASN 157.A N LYS 154.A O no hydrogen 2.758 N/A ILE 158.A N PRO 155.A O no hydrogen 3.118 N/A LEU 159.A N LYS 167.A O no hydrogen 2.640 N/A VAL 160.A N GLY 111.A O no hydrogen 3.038 N/A ASN 161.A N GLU 165.A O no hydrogen 3.091 N/A ASN 161.A ND2 GLU 165.A OE1 no hydrogen 2.988 N/A SER 162.A N ASP 109.A OD1 no hydrogen 2.667 N/A SER 162.A OG ASP 109.A OD2 no hydrogen 2.802 N/A GLY 164.A N ASN 161.A O no hydrogen 2.852 N/A GLU 165.A N ASN 161.A OD1 no hydrogen 2.868 N/A LYS 167.A N LEU 159.A O no hydrogen 2.794 N/A LYS 167.A NZ GLU 106.A OE1 no hydrogen 2.994 N/A LYS 167.A NZ GLU 106.A OE2 no hydrogen 3.080 N/A LEU 168.A N TYR 87.A O no hydrogen 2.711 N/A CYS 169.A N ASN 157.A O no hydrogen 2.756 N/A CYS 169.A SG SER 156.A O no hydrogen 3.605 N/A GLN 176.A N GLY 172.A O no hydrogen 3.181 N/A LEU 177.A N VAL 173.A O no hydrogen 2.850 N/A ILE 178.A N SER 174.A O no hydrogen 2.965 N/A ASP 179.A N GLY 175.A O no hydrogen 2.950 N/A SER 180.A N GLN 176.A O no hydrogen 2.852 N/A SER 180.A OG GLU 76.A OE1 no hydrogen 2.664 N/A SER 180.A OG GLU 76.A OE2 no hydrogen 3.198 N/A SER 180.A OG GLN 176.A O no hydrogen 3.230 N/A SER 180.A OG GLN 176.A OE1 no hydrogen 2.782 N/A MET 181.A N LEU 177.A O no hydrogen 2.932 N/A ALA 182.A N ILE 178.A O no hydrogen 2.906 N/A ASN 183.A N SER 180.A O no hydrogen 3.204 N/A ASN 183.A ND2 ASP 179.A O no hydrogen 2.774 N/A SER 184.A N MET 181.A O no hydrogen 3.358 N/A SER 184.A OG MET 181.A O no hydrogen 3.551 N/A ARG 189.A NH1 TYR 191.A OH no hydrogen 3.175 N/A ARG 196.A N SER 193.A O no hydrogen 2.862 N/A LEU 197.A N SER 193.A O no hydrogen 3.154 N/A LEU 197.A N PRO 194.A O no hydrogen 2.926 N/A GLN 198.A N PRO 194.A O no hydrogen 3.247 N/A THR 200.A OG1 GLN 198.A O no hydrogen 2.952 N/A SER 206.A N SER 203.A O no hydrogen 3.477 N/A SER 206.A OG ASP 152.A OD1 no hydrogen 3.225 N/A SER 206.A OG ASP 152.A OD2 no hydrogen 3.076 N/A ILE 208.A N VAL 204.A O no hydrogen 3.086 N/A TRP 209.A N GLN 205.A O no hydrogen 3.255 N/A SER 210.A N SER 206.A O no hydrogen 3.398 N/A SER 210.A OG VAL 153.A O no hydrogen 2.955 N/A MET 211.A N ASP 207.A O no hydrogen 3.070 N/A GLY 212.A N ILE 208.A O no hydrogen 2.864 N/A LEU 213.A N TRP 209.A O no hydrogen 2.941 N/A SER 214.A N SER 210.A O no hydrogen 2.865 N/A SER 214.A OG VAL 153.A O no hydrogen 2.567 N/A SER 214.A OG SER 210.A O no hydrogen 2.818 N/A LEU 215.A N MET 211.A O no hydrogen 2.879 N/A VAL 216.A N GLY 212.A O no hydrogen 3.134 N/A GLU 217.A N LEU 213.A O no hydrogen 2.945 N/A MET 218.A N SER 214.A O no hydrogen 2.988 N/A ALA 219.A N LEU 215.A O no hydrogen 2.899 N/A VAL 220.A N VAL 216.A O no hydrogen 2.993 N/A GLY 221.A N GLU 217.A O no hydrogen 2.691 N/A ARG 222.A NH2 PRO 226.A O no hydrogen 2.591 N/A GLU 232.A N ASP 229.A OD2 no hydrogen 3.471 N/A LEU 233.A N ASP 229.A O no hydrogen 3.299 N/A GLU 234.A N ALA 230.A O no hydrogen 3.357 N/A MET 236.A N GLU 232.A O no hydrogen 2.844 N/A PHE 237.A N LEU 233.A O no hydrogen 2.849 N/A CYS 239.A N GLU 234.A O no hydrogen 2.741 N/A CYS 239.A SG GLY 238.A O no hydrogen 2.950 N/A ALA 245.A N GLU 248.A OE2 no hydrogen 2.842 N/A LEU 249.A N ALA 245.A O no hydrogen 3.106 N/A LEU 250.A N ILE 246.A O no hydrogen 3.074 N/A ASP 251.A N PHE 247.A O no hydrogen 3.182 N/A TYR 252.A N GLU 248.A O no hydrogen 2.681 N/A ILE 253.A N LEU 249.A O no hydrogen 2.747 N/A VAL 254.A N LEU 250.A O no hydrogen 3.158 N/A ASN 255.A N ASP 251.A O no hydrogen 2.691 N/A GLU 256.A N TYR 252.A O no hydrogen 2.843 N/A VAL 265.A N SER 263.A O no hydrogen 2.757 N/A SER 267.A N GLU 125.A OE1 no hydrogen 3.088 N/A SER 267.A OG GLU 125.A OE2 no hydrogen 2.694 N/A SER 267.A OG GLU 269.A OE1 no hydrogen 3.460 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 2.395 N/A PHE 270.A N SER 267.A OG no hydrogen 3.064 N/A GLN 271.A N SER 267.A O no hydrogen 3.037 N/A GLN 271.A NE2 PHE 266.A O no hydrogen 2.780 N/A GLN 271.A NE2 SER 267.A O no hydrogen 3.398 N/A ASP 272.A N LEU 268.A O no hydrogen 2.852 N/A PHE 273.A N GLU 269.A O no hydrogen 2.899 N/A VAL 274.A N PHE 270.A O no hydrogen 3.091 N/A ASN 275.A N GLN 271.A O no hydrogen 3.055 N/A LYS 276.A N ASP 272.A O no hydrogen 2.880 N/A CYS 277.A N PHE 273.A O no hydrogen 3.263 N/A CYS 277.A SG PHE 273.A O no hydrogen 3.525 N/A LEU 278.A N VAL 274.A O no hydrogen 2.988 N/A LEU 278.A N ASN 275.A O no hydrogen 3.149 N/A LYS 280.A NZ VAL 254.A O no hydrogen 2.719 N/A LYS 280.A NZ GLU 256.A O no hydrogen 2.626 N/A ALA 283.A N ASN 281.A OD1 no hydrogen 3.066 N/A GLU 284.A N ASN 281.A O no hydrogen 2.753 N/A ARG 285.A N ASN 281.A O no hydrogen 2.934 N/A ARG 285.A NE ILE 279.A O no hydrogen 2.837 N/A ARG 285.A NH1 GLN 205.A O no hydrogen 2.789 N/A ARG 285.A NH2 ILE 279.A O no hydrogen 3.124 N/A ALA 286.A N LYS 276.A O no hydrogen 3.298 N/A LYS 289.A NZ ASP 287.A OD2 no hydrogen 3.340 N/A GLN 290.A N ASP 287.A OD1 no hydrogen 3.108 N/A LEU 291.A N ASP 287.A O no hydrogen 3.291 N/A MET 292.A N LEU 288.A O no hydrogen 3.074 N/A VAL 293.A N GLN 290.A O no hydrogen 3.374 N/A HIS 294.A N LEU 291.A O no hydrogen 2.971 N/A HIS 294.A NE2 ASP 272.A OD2 no hydrogen 2.741 N/A PHE 296.A N HIS 294.A ND1 no hydrogen 2.963 N/A ILE 297.A N HIS 294.A O no hydrogen 2.895 N/A LYS 298.A N HIS 294.A O no hydrogen 2.992 N/A LYS 298.A NZ VAL 293.A O no hydrogen 2.916 N/A ARG 299.A N ALA 295.A O no hydrogen 2.982 N/A ARG 299.A NE GLU 303.A OE2 no hydrogen 2.870 N/A ARG 299.A NH1 GLU 125.A OE2 no hydrogen 3.558 N/A ARG 299.A NH1 SER 267.A OG no hydrogen 3.196 N/A ARG 299.A NH1 GLU 269.A OE2 no hydrogen 3.235 N/A ARG 299.A NH2 GLU 125.A OE2 no hydrogen 2.806 N/A SER 300.A N PHE 296.A O no hydrogen 2.827 N/A SER 300.A OG PHE 296.A O no hydrogen 3.015 N/A ASP 301.A N ILE 297.A O no hydrogen 2.799 N/A ASP 301.A N LYS 298.A O no hydrogen 3.259 N/A ALA 302.A N LYS 298.A O no hydrogen 3.294 N/A GLU 303.A N ARG 299.A O no hydrogen 3.057 N/A GLU 303.A N SER 300.A O no hydrogen 3.233 N/A GLY 309.A N ASP 306.A OD1 no hydrogen 2.565 N/A TRP 310.A N ASP 306.A O no hydrogen 2.917 N/A LEU 311.A N PHE 307.A O no hydrogen 2.909 N/A CYS 312.A N ALA 308.A O no hydrogen 2.978 N/A CYS 312.A SG ALA 308.A O no hydrogen 3.165 N/A SER 313.A N GLY 309.A O no hydrogen 3.041 N/A SER 313.A OG GLY 309.A O no hydrogen 2.978 N/A THR 314.A N TRP 310.A O no hydrogen 2.857 N/A THR 314.A OG1 TRP 310.A O no hydrogen 2.701 N/A ILE 315.A N LEU 311.A O no hydrogen 2.998 N/A LEU 317.A N CYS 312.A O no hydrogen 2.918 N/A ASN 318.A ND2 LEU 317.A O no hydrogen 2.711 N/A