Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vhe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 6.A N PRO 2.A O no hydrogen 3.302 N/A CYS 7.A SG SER 74.A O no hydrogen 4.032 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.838 N/A ARG 9.A NH1 PRO 2.A O no hydrogen 3.261 N/A ARG 9.A NH1 HIS 6.A O no hydrogen 2.766 N/A LEU 10.A N CYS 7.A O no hydrogen 2.973 N/A TYR 12.A OH GLU 18.A OE2 no hydrogen 2.664 N/A SER 15.A OG ASP 13.A OD1 no hydrogen 3.544 N/A SER 15.A OG ASP 13.A OD2 no hydrogen 2.523 N/A LYS 16.A N ASP 13.A O no hydrogen 3.110 N/A TRP 17.A N ASP 13.A O no hydrogen 3.003 N/A GLU 18.A N ALA 14.A O no hydrogen 2.886 N/A PHE 19.A N ALA 94.A O no hydrogen 2.837 N/A ARG 21.A NE PRO 101.A O no hydrogen 3.200 N/A ARG 21.A NH1 LYS 97.A O no hydrogen 3.197 N/A ARG 21.A NH2 LYS 97.A O no hydrogen 2.826 N/A ARG 21.A NH2 PRO 101.A O no hydrogen 2.807 N/A ARG 23.A N PRO 20.A O no hydrogen 3.102 N/A LEU 24.A N ARG 21.A O no hydrogen 3.150 N/A LYS 25.A N ASP 42.A O no hydrogen 2.800 N/A GLY 27.A N GLU 40.A O no hydrogen 2.675 N/A LEU 30.A N VAL 38.A O no hydrogen 2.696 N/A GLY 31.A N VAL 38.A O no hydrogen 3.280 N/A ARG 32.A NH1 GLN 37.A OE1 no hydrogen 3.201 N/A GLY 33.A N GLY 36.A O no hydrogen 2.817 N/A GLN 37.A N MET 59.A O no hydrogen 2.798 N/A GLN 37.A NE2 LEU 60.A O no hydrogen 3.001 N/A VAL 38.A N GLY 31.A O no hydrogen 2.820 N/A ILE 39.A N VAL 57.A O no hydrogen 2.805 N/A GLU 40.A N LYS 28.A O no hydrogen 2.908 N/A ALA 41.A N VAL 55.A O no hydrogen 2.923 N/A ASP 42.A N LYS 25.A O no hydrogen 2.865 N/A ALA 43.A N ARG 53.A O no hydrogen 2.800 N/A PHE 44.A N ARG 23.A O no hydrogen 2.884 N/A GLY 45.A N THR 51.A O no hydrogen 2.796 N/A THR 51.A N LYS 48.A O no hydrogen 3.022 N/A THR 51.A OG1 LYS 48.A O no hydrogen 3.537 N/A THR 51.A OG1 THR 49.A O no hydrogen 2.924 N/A ARG 53.A N ALA 43.A O no hydrogen 2.890 N/A ARG 53.A NE ASP 47.A OD1 no hydrogen 2.900 N/A ARG 53.A NE ASP 47.A OD2 no hydrogen 3.253 N/A ARG 53.A NH1 ASP 47.A OD2 no hydrogen 3.003 N/A VAL 55.A N ALA 41.A O no hydrogen 2.807 N/A ALA 56.A N VAL 106.A O no hydrogen 2.955 N/A VAL 57.A N ILE 39.A O no hydrogen 2.721 N/A LYS 58.A N VAL 104.A O no hydrogen 2.802 N/A LYS 58.A NZ GLU 75.A OE1 no hydrogen 3.161 N/A LYS 58.A NZ GLU 75.A OE2 no hydrogen 2.811 N/A LYS 58.A NZ ASP 182.A O no hydrogen 3.103 N/A LYS 58.A NZ PHE 183.A O no hydrogen 2.847 N/A MET 59.A N GLN 37.A O no hydrogen 2.881 N/A LYS 61.A N PHE 35.A O no hydrogen 2.981 N/A LYS 61.A NZ ALA 34.A O no hydrogen 3.178 N/A LYS 61.A NZ GLU 62.A O no hydrogen 2.876 N/A ALA 64.A N LYS 61.A O no hydrogen 3.047 N/A THR 65.A N GLU 68.A OE1 no hydrogen 2.677 N/A THR 65.A OG1 GLU 68.A OE1 no hydrogen 2.705 N/A SER 67.A N THR 65.A OG1 no hydrogen 3.218 N/A SER 67.A OG THR 65.A OG1 no hydrogen 2.755 N/A SER 67.A OG GLU 68.A OE1 no hydrogen 3.208 N/A SER 67.A OG GLU 68.A OE2 no hydrogen 3.194 N/A HIS 69.A N THR 65.A O no hydrogen 3.149 N/A ARG 70.A N HIS 66.A O no hydrogen 2.946 N/A ALA 71.A N SER 67.A O no hydrogen 2.988 N/A LEU 72.A N GLU 68.A O no hydrogen 2.893 N/A MET 73.A N HIS 69.A O no hydrogen 3.228 N/A SER 74.A N ARG 70.A O no hydrogen 3.100 N/A GLU 75.A N ALA 71.A O no hydrogen 2.968 N/A LEU 76.A N LEU 72.A O no hydrogen 3.012 N/A LYS 77.A N MET 73.A O no hydrogen 2.982 N/A LYS 77.A NZ GLU 8.A O no hydrogen 3.295 N/A ILE 78.A N SER 74.A O no hydrogen 2.906 N/A LEU 79.A N GLU 75.A O no hydrogen 2.938 N/A ILE 80.A N LEU 76.A O no hydrogen 3.067 N/A HIS 81.A N LYS 77.A O no hydrogen 3.053 N/A HIS 81.A NE2 ARG 158.A O no hydrogen 2.843 N/A ILE 82.A N ILE 78.A O no hydrogen 2.843 N/A GLY 83.A N LEU 79.A O no hydrogen 3.102 N/A ASN 87.A N HIS 85.A ND1 no hydrogen 2.869 N/A ASN 87.A ND2 GLN 147.A OE1 no hydrogen 2.918 N/A ASN 87.A ND2 VAL 178.A O no hydrogen 2.939 N/A VAL 88.A N HIS 85.A O no hydrogen 3.177 N/A VAL 89.A N ILE 180.A O no hydrogen 2.893 N/A LEU 92.A N ILE 105.A O no hydrogen 2.728 N/A GLY 93.A N ILE 105.A O no hydrogen 3.232 N/A ALA 94.A N TRP 17.A O no hydrogen 3.010 N/A CYS 95.A N MET 103.A O no hydrogen 2.930 N/A CYS 95.A SG PHE 19.A O no hydrogen 3.297 N/A THR 96.A N GLU 18.A OE1 no hydrogen 2.756 N/A THR 96.A OG1 GLU 18.A OE1 no hydrogen 3.503 N/A THR 96.A OG1 GLU 18.A OE2 no hydrogen 2.729 N/A LYS 97.A N GLU 18.A OE1 no hydrogen 3.258 N/A MET 103.A N CYS 95.A O no hydrogen 2.933 N/A VAL 104.A N LYS 58.A O no hydrogen 2.932 N/A ILE 105.A N GLY 93.A O no hydrogen 2.894 N/A VAL 106.A N ALA 56.A O no hydrogen 2.901 N/A GLU 107.A N ASN 90.A O no hydrogen 2.886 N/A CYS 109.A SG GLU 107.A O no hydrogen 4.005 N/A CYS 109.A SG GLU 107.A OE1 no hydrogen 3.576 N/A PHE 111.A N LEU 172.A O no hydrogen 2.916 N/A GLY 112.A N CYS 109.A O no hydrogen 2.996 N/A LEU 114.A N ILE 170.A O no hydrogen 2.732 N/A SER 115.A N ALA 167.A O no hydrogen 3.371 N/A THR 116.A OG1 ASN 113.A OD1 no hydrogen 2.750 N/A TYR 117.A N ASN 113.A O no hydrogen 3.144 N/A LEU 118.A N LEU 114.A O no hydrogen 2.854 N/A ARG 119.A N SER 115.A O no hydrogen 3.103 N/A ARG 119.A NH1 ARG 119.A O no hydrogen 2.935 N/A SER 120.A N THR 116.A O no hydrogen 3.169 N/A SER 120.A N TYR 117.A O no hydrogen 2.959 N/A SER 120.A OG TYR 117.A O no hydrogen 2.664 N/A LYS 121.A N LEU 118.A O no hydrogen 3.009 N/A LYS 121.A NZ GLU 124.A OE2 no hydrogen 2.503 N/A LYS 121.A NZ ASP 134.A O no hydrogen 2.887 N/A ARG 122.A NE LEU 235.A O no hydrogen 2.922 N/A ARG 122.A NH1 LEU 235.A O no hydrogen 3.208 N/A GLU 124.A N LYS 121.A O no hydrogen 2.849 N/A VAL 126.A N LEU 136.A O no hydrogen 3.030 N/A LYS 129.A NZ TYR 132.A O no hydrogen 2.835 N/A LYS 129.A NZ PHE 135.A O no hydrogen 3.255 N/A LYS 133.A N ASP 130.A O no hydrogen 3.175 N/A PHE 135.A N TYR 132.A O no hydrogen 2.969 N/A LEU 136.A N GLU 124.A O no hydrogen 2.806 N/A THR 137.A N HIS 140.A ND1 no hydrogen 3.147 N/A THR 137.A OG1 HIS 140.A ND1 no hydrogen 2.810 N/A LEU 138.A N PRO 127.A O no hydrogen 3.005 N/A HIS 140.A ND1 THR 137.A OG1 no hydrogen 2.810 N/A LEU 141.A N THR 137.A O no hydrogen 3.126 N/A ILE 142.A N LEU 138.A O no hydrogen 2.844 N/A CYS 143.A N GLU 139.A O no hydrogen 2.867 N/A TYR 144.A N HIS 140.A O no hydrogen 2.836 N/A SER 145.A N LEU 141.A O no hydrogen 3.063 N/A SER 145.A OG LEU 141.A O no hydrogen 2.843 N/A PHE 146.A N ILE 142.A O no hydrogen 2.852 N/A GLN 147.A N CYS 143.A O no hydrogen 2.842 N/A GLN 147.A NE2 CYS 143.A O no hydrogen 3.615 N/A GLN 147.A NE2 ASN 176.A O no hydrogen 2.825 N/A VAL 148.A N TYR 144.A O no hydrogen 2.940 N/A ALA 149.A N SER 145.A O no hydrogen 3.076 N/A LYS 150.A N PHE 146.A O no hydrogen 2.945 N/A GLY 151.A N GLN 147.A O no hydrogen 2.900 N/A MET 152.A N VAL 148.A O no hydrogen 2.850 N/A GLU 153.A N ALA 149.A O no hydrogen 2.820 N/A PHE 154.A N LYS 150.A O no hydrogen 2.987 N/A LEU 155.A N GLY 151.A O no hydrogen 2.847 N/A ALA 156.A N MET 152.A O no hydrogen 2.898 N/A SER 157.A N GLU 153.A O no hydrogen 3.064 N/A SER 157.A OG PHE 154.A O no hydrogen 2.551 N/A ARG 158.A N PHE 154.A O no hydrogen 3.207 N/A ARG 158.A N LEU 155.A O no hydrogen 3.052 N/A ARG 158.A NE HIS 81.A O no hydrogen 3.209 N/A ARG 158.A NE ILE 82.A O no hydrogen 3.198 N/A ARG 158.A NH1 HIS 81.A O no hydrogen 2.852 N/A LYS 159.A N ALA 156.A O no hydrogen 2.922 N/A CYS 160.A N LEU 155.A O no hydrogen 3.230 N/A CYS 160.A SG ARG 158.A O no hydrogen 3.627 N/A ILE 161.A N ASP 4.A OD2 no hydrogen 2.878 N/A HIS 162.A N ASP 221.A OD1 no hydrogen 2.771 N/A HIS 162.A NE2 CYS 181.A O no hydrogen 2.799 N/A ARG 163.A N ASP 221.A OD2 no hydrogen 3.073 N/A ARG 163.A NH1 ASP 4.A OD2 no hydrogen 2.985 N/A ARG 163.A NH2 ASP 4.A OD1 no hydrogen 3.386 N/A ASP 164.A N HIS 162.A ND1 no hydrogen 2.986 N/A ALA 167.A N GLU 231.A OE2 no hydrogen 2.894 N/A ARG 168.A NE TYR 195.A OH no hydrogen 2.868 N/A ARG 168.A NH1 ASP 164.A OD2 no hydrogen 3.021 N/A ARG 168.A NH1 TYR 195.A OH no hydrogen 3.478 N/A ASN 169.A N ALA 166.A O no hydrogen 2.857 N/A ASN 169.A ND2 ASP 164.A O no hydrogen 2.788 N/A ILE 170.A N ALA 167.A O no hydrogen 3.139 N/A LEU 171.A N LYS 179.A O no hydrogen 2.773 N/A LEU 172.A N GLY 112.A O no hydrogen 2.869 N/A SER 173.A N VAL 177.A O no hydrogen 2.804 N/A GLU 174.A N SER 173.A OG no hydrogen 2.723 N/A VAL 177.A N GLU 174.A O no hydrogen 3.295 N/A VAL 178.A N GLN 147.A OE1 no hydrogen 2.954 N/A LYS 179.A N LEU 171.A O no hydrogen 2.779 N/A LYS 179.A NZ LEU 86.A O no hydrogen 2.759 N/A ILE 180.A N ASN 87.A O no hydrogen 2.858 N/A CYS 181.A N ASN 169.A O no hydrogen 2.939 N/A PHE 183.A N ASN 169.A OD1 no hydrogen 3.087 N/A GLY 184.A N ASP 182.A OD2 no hydrogen 3.047 N/A ALA 186.A N PHE 183.A O no hydrogen 2.862 N/A ARG 187.A N GLY 184.A O no hydrogen 3.192 N/A ARG 187.A NH1 ASN 169.A OD1 no hydrogen 3.151 N/A ARG 187.A NH2 ASN 169.A OD1 no hydrogen 3.115 N/A TYR 190.A N ASP 188.A OD2 no hydrogen 3.030 N/A LYS 191.A N ASP 188.A O no hydrogen 3.062 N/A ASP 194.A N ASP 192.A OD1 no hydrogen 2.765 N/A TYR 195.A N ASP 192.A O no hydrogen 3.046 N/A TYR 195.A OH ASP 164.A OD1 no hydrogen 2.609 N/A VAL 196.A N LEU 201.A O no hydrogen 2.726 N/A LYS 198.A N ALA 199.A O no hydrogen 2.811 N/A ARG 200.A NH1 TYR 195.A O no hydrogen 3.310 N/A LEU 201.A N VAL 196.A O no hydrogen 2.799 N/A LYS 204.A NZ SER 238.A OG no hydrogen 2.644 N/A LYS 204.A NZ PRO 239.A O no hydrogen 3.015 N/A TRP 205.A N PRO 202.A O no hydrogen 2.890 N/A TRP 205.A NE1 GLU 231.A OE2 no hydrogen 2.785 N/A MET 206.A N LEU 203.A O no hydrogen 3.198 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.774 N/A THR 210.A N ALA 207.A O no hydrogen 2.946 N/A THR 210.A OG1 VAL 215.A O no hydrogen 2.734 N/A ILE 211.A N ALA 207.A O no hydrogen 3.075 N/A PHE 212.A N PRO 208.A O no hydrogen 2.906 N/A ASP 213.A N GLU 209.A O no hydrogen 2.868 N/A ARG 214.A N THR 210.A O no hydrogen 3.019 N/A VAL 215.A N GLU 209.A O no hydrogen 3.178 N/A THR 217.A N SER 220.A OG no hydrogen 2.808 N/A GLN 219.A N THR 217.A OG1 no hydrogen 3.119 N/A GLN 219.A NE2 PRO 281.A O no hydrogen 3.117 N/A GLN 219.A NE2 PRO 285.A O no hydrogen 3.338 N/A SER 220.A N THR 217.A O no hydrogen 3.002 N/A SER 220.A N THR 217.A OG1 no hydrogen 3.201 N/A SER 220.A OG THR 217.A O no hydrogen 2.627 N/A ASP 221.A N THR 217.A O no hydrogen 3.145 N/A VAL 222.A N ILE 218.A O no hydrogen 3.055 N/A TRP 223.A N GLN 219.A O no hydrogen 3.366 N/A SER 224.A N SER 220.A O no hydrogen 3.181 N/A SER 224.A OG TRP 205.A O no hydrogen 2.716 N/A SER 224.A OG SER 220.A O no hydrogen 3.396 N/A PHE 225.A N ASP 221.A O no hydrogen 2.796 N/A GLY 226.A N VAL 222.A O no hydrogen 2.993 N/A VAL 227.A N TRP 223.A O no hydrogen 3.210 N/A LEU 228.A N SER 224.A O no hydrogen 2.845 N/A LEU 229.A N PHE 225.A O no hydrogen 2.795 N/A TRP 230.A N GLY 226.A O no hydrogen 3.086 N/A TRP 230.A NE1 ARG 260.A O no hydrogen 2.979 N/A GLU 231.A N VAL 227.A O no hydrogen 2.926 N/A ILE 232.A N LEU 228.A O no hydrogen 2.901 N/A PHE 233.A N LEU 229.A O no hydrogen 2.934 N/A SER 234.A N GLU 231.A O no hydrogen 3.390 N/A SER 234.A OG TRP 230.A O no hydrogen 2.924 N/A SER 234.A OG GLU 231.A O no hydrogen 3.010 N/A LEU 235.A N ILE 232.A O no hydrogen 3.041 N/A GLY 236.A N GLU 231.A O no hydrogen 2.827 N/A ALA 237.A N SER 234.A OG no hydrogen 3.069 N/A VAL 243.A N TYR 240.A O no hydrogen 3.105 N/A ASP 246.A N LYS 244.A O no hydrogen 3.081 N/A PHE 249.A N ASP 246.A OD1 no hydrogen 3.119 N/A CYS 250.A N ASP 246.A O no hydrogen 3.284 N/A CYS 250.A SG ASP 246.A O no hydrogen 3.488 N/A ARG 251.A N GLU 247.A O no hydrogen 3.042 N/A ARG 252.A N GLU 248.A O no hydrogen 2.906 N/A LEU 253.A N PHE 249.A O no hydrogen 3.001 N/A LYS 254.A N CYS 250.A O no hydrogen 3.073 N/A GLU 255.A N ARG 251.A O no hydrogen 2.984 N/A GLY 256.A N ARG 252.A O no hydrogen 3.001 N/A GLY 256.A N LEU 253.A O no hydrogen 3.131 N/A THR 257.A N ARG 252.A O no hydrogen 2.961 N/A THR 257.A OG1 ARG 252.A O no hydrogen 3.395 N/A ARG 258.A NE TRP 277.A O no hydrogen 2.956 N/A ARG 258.A NH1 LEU 253.A O no hydrogen 2.917 N/A ARG 258.A NH1 THR 257.A O no hydrogen 2.845 N/A ARG 258.A NH2 TRP 277.A O no hydrogen 2.900 N/A TYR 264.A N PHE 233.A O no hydrogen 2.939 N/A THR 265.A N PRO 262.A O no hydrogen 3.420 N/A THR 265.A OG1 THR 266.A O no hydrogen 2.884 N/A GLU 268.A N GLU 268.A OE2 no hydrogen 2.780 N/A MET 269.A N THR 266.A OG1 no hydrogen 3.122 N/A TYR 270.A N THR 266.A O no hydrogen 3.135 N/A TYR 270.A OH MET 259.A O no hydrogen 2.642 N/A GLN 271.A N PRO 267.A O no hydrogen 3.094 N/A GLN 271.A NE2 ASP 275.A OD1 no hydrogen 2.927 N/A THR 272.A N GLU 268.A O no hydrogen 2.992 N/A THR 272.A OG1 GLU 268.A O no hydrogen 3.133 N/A MET 273.A N MET 269.A O no hydrogen 3.019 N/A LEU 274.A N TYR 270.A O no hydrogen 2.974 N/A ASP 275.A N GLN 271.A O no hydrogen 2.903 N/A CYS 276.A N THR 272.A O no hydrogen 2.968 N/A CYS 276.A SG THR 272.A O no hydrogen 3.366 N/A TRP 277.A N MET 273.A O no hydrogen 3.054 N/A TRP 277.A N LEU 274.A O no hydrogen 3.120 N/A HIS 278.A N ASP 275.A O no hydrogen 3.211 N/A GLN 283.A N GLU 280.A O no hydrogen 2.885 N/A ARG 284.A N PRO 281.A O no hydrogen 3.230 N/A ARG 284.A NE HIS 278.A O no hydrogen 2.773 N/A ARG 284.A NH1 GLU 209.A OE2 no hydrogen 2.778 N/A ARG 284.A NH1 GLN 219.A O no hydrogen 2.962 N/A ARG 284.A NH2 GLU 209.A OE1 no hydrogen 2.944 N/A ARG 284.A NH2 HIS 278.A O no hydrogen 3.150 N/A THR 286.A N GLU 289.A OE2 no hydrogen 2.980 N/A SER 288.A OG GLU 153.A OE2 no hydrogen 2.868 N/A GLU 289.A N THR 286.A OG1 no hydrogen 3.171 N/A LEU 290.A N THR 286.A O no hydrogen 2.885 N/A VAL 291.A N PHE 287.A O no hydrogen 2.832 N/A GLU 292.A N SER 288.A O no hydrogen 3.257 N/A HIS 293.A N GLU 289.A O no hydrogen 2.947 N/A LEU 294.A N LEU 290.A O no hydrogen 2.765 N/A GLY 295.A N VAL 291.A O no hydrogen 2.930 N/A ASN 296.A N GLU 292.A O no hydrogen 3.094 N/A LEU 297.A N HIS 293.A O no hydrogen 2.947 N/A LEU 298.A N LEU 294.A O no hydrogen 2.868 N/A GLN 299.A N GLY 295.A O no hydrogen 3.075 N/A ALA 300.A N ASN 296.A O no hydrogen 2.856 N/A ASN 301.A N LEU 297.A O no hydrogen 2.941 N/A ALA 302.A N GLN 299.A O no hydrogen 3.106 N/A GLN 303.A N ALA 300.A O no hydrogen 2.839 N/A GLN 303.A NE2 GLN 299.A O no hydrogen 3.361 N/A