Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4whx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N SER 1.A OG no hydrogen 3.164 N/A ASP 4.A N SER 1.A OG no hydrogen 3.213 N/A ARG 5.A N ALA 3.A O no hydrogen 3.190 N/A ARG 5.A NE SER 1.A O no hydrogen 2.841 N/A LYS 8.A N ASN 91.A OD1 no hydrogen 2.781 N/A LYS 8.A NZ GLU 17.A OE2 no hydrogen 3.498 N/A ILE 9.A N ILE 16.A O no hydrogen 2.876 N/A TRP 10.A N ILE 122.A O no hydrogen 3.144 N/A MET 11.A N LYS 14.A O no hydrogen 2.815 N/A ASP 12.A N VAL 120.A O no hydrogen 2.838 N/A LYS 14.A N MET 11.A O no hydrogen 3.319 N/A ILE 16.A N ILE 9.A O no hydrogen 2.765 N/A TRP 18.A N GLY 7.A O no hydrogen 2.786 N/A TRP 18.A NE1 MET 2.A O no hydrogen 2.670 N/A ARG 19.A NE ASP 4.A OD1 no hydrogen 2.851 N/A ARG 19.A NH1 ASP 6.A OD1 no hydrogen 2.798 N/A ARG 19.A NH2 ASP 6.A OD1 no hydrogen 2.871 N/A ASP 20.A N GLU 17.A O no hydrogen 2.996 N/A ALA 21.A N TRP 18.A O no hydrogen 3.262 N/A LYS 22.A N ASP 20.A O no hydrogen 2.871 N/A LEU 26.A N HIS 24.A ND1 no hydrogen 3.129 N/A THR 27.A N HIS 24.A O no hydrogen 3.147 N/A THR 27.A OG1 HIS 24.A O no hydrogen 2.666 N/A HIS 28.A N GLY 105.A O no hydrogen 2.935 N/A HIS 28.A NE2 GLY 110.A O no hydrogen 2.760 N/A THR 29.A N ILE 104.A O no hydrogen 3.281 N/A THR 29.A OG1 MET 34.A O no hydrogen 2.845 N/A LEU 30.A N THR 27.A O no hydrogen 3.012 N/A HIS 31.A N HIS 28.A O no hydrogen 2.929 N/A HIS 31.A NE2 VAL 25.A O no hydrogen 2.753 N/A TYR 32.A N HIS 28.A O no hydrogen 2.858 N/A TYR 32.A OH LEU 109.A O no hydrogen 2.973 N/A GLY 33.A N THR 29.A O no hydrogen 2.868 N/A VAL 36.A N ILE 102.A O no hydrogen 2.809 N/A GLU 38.A N PRO 100.A O no hydrogen 3.003 N/A VAL 40.A N LEU 98.A O no hydrogen 3.007 N/A ARG 41.A NE THR 256.A O no hydrogen 2.885 N/A ARG 41.A NH1 TRP 127.A O no hydrogen 2.813 N/A ARG 41.A NH2 TRP 127.A O no hydrogen 3.540 N/A ARG 41.A NH2 GLY 128.A O no hydrogen 3.057 N/A ARG 41.A NH2 ALA 257.A O no hydrogen 3.139 N/A ALA 42.A N CYS 96.A O no hydrogen 2.873 N/A TYR 43.A N ALA 51.A O no hydrogen 2.776 N/A TYR 43.A OH GLU 259.A OE2 no hydrogen 2.588 N/A THR 45.A N GLY 49.A O no hydrogen 2.844 N/A THR 45.A OG1 ASP 47.A OD1 no hydrogen 2.467 N/A THR 45.A OG1 GLY 49.A O no hydrogen 3.165 N/A ALA 46.A N ASN 292.A O no hydrogen 2.960 N/A GLY 48.A N THR 45.A O no hydrogen 2.806 N/A GLY 49.A N ASP 47.A OD1 no hydrogen 2.998 N/A THR 50.A OG1 GLU 94.A O no hydrogen 2.613 N/A ALA 51.A N TYR 43.A O no hydrogen 2.922 N/A ILE 52.A N THR 303.A O no hydrogen 2.952 N/A PHE 53.A N ARG 41.A O no hydrogen 2.920 N/A ARG 54.A N TRP 301.A O no hydrogen 2.577 N/A ARG 54.A NH1 ASP 222.A OD2 no hydrogen 2.769 N/A ARG 54.A NH1 THR 223.A OG1 no hydrogen 2.934 N/A ARG 54.A NH2 GLU 57.A OE2.A no hydrogen 3.056 N/A ARG 54.A NH2 ASP 222.A OD2 no hydrogen 3.100 N/A GLU 57.A N GLU 57.A OE1.A no hydrogen 3.033 N/A HIS 58.A N ARG 54.A O no hydrogen 3.107 N/A HIS 58.A ND1 GLU 38.A OE2 no hydrogen 2.798 N/A THR 59.A N LEU 55.A O no hydrogen 2.869 N/A THR 59.A OG1 LEU 55.A O no hydrogen 2.873 N/A LYS 60.A N LYS 56.A O no hydrogen 2.797 N/A ARG 61.A N GLU 57.A O no hydrogen 3.038 N/A ARG 61.A NE GLU 38.A OE1 no hydrogen 2.723 N/A ARG 61.A NE GLU 38.A OE2 no hydrogen 3.385 N/A ARG 61.A NH1 ASP 217.A O no hydrogen 3.190 N/A ARG 61.A NH2 GLU 38.A OE2 no hydrogen 2.817 N/A LEU 62.A N HIS 58.A O no hydrogen 2.961 N/A LEU 63.A N THR 59.A O no hydrogen 3.129 N/A ASN 64.A N LYS 60.A O no hydrogen 3.006 N/A SER 65.A N ARG 61.A O no hydrogen 2.804 N/A SER 65.A OG ARG 61.A O no hydrogen 2.849 N/A ALA 66.A N LEU 62.A O no hydrogen 3.206 N/A LYS 67.A N LEU 63.A O no hydrogen 2.843 N/A ILE 68.A N ASN 64.A O no hydrogen 2.826 N/A PHE 69.A N SER 65.A O no hydrogen 3.297 N/A GLN 70.A N LYS 67.A O no hydrogen 2.992 N/A MET 71.A N ALA 66.A O no hydrogen 2.872 N/A GLN 77.A NE2 GLU 81.A OE2 no hydrogen 3.007 N/A THR 79.A N ASP 76.A OD1 no hydrogen 2.916 N/A THR 79.A OG1 ASP 76.A OD1 no hydrogen 2.649 N/A LEU 80.A N ASP 76.A O no hydrogen 3.197 N/A GLU 81.A N GLN 77.A O no hydrogen 2.923 N/A ALA 82.A N GLU 78.A O no hydrogen 3.122 N/A ALA 83.A N THR 79.A O no hydrogen 2.892 N/A GLN 84.A N LEU 80.A O no hydrogen 3.023 N/A GLN 84.A NE2 THR 59.A OG1 no hydrogen 2.792 N/A GLN 84.A NE2 LEU 80.A O no hydrogen 3.064 N/A ARG 85.A N GLU 81.A O no hydrogen 3.173 N/A ARG 85.A NE LYS 304.A O no hydrogen 3.450 N/A ARG 85.A NH2 ILE 305.A OXT no hydrogen 3.057 N/A ASP 86.A N ALA 82.A O no hydrogen 2.903 N/A VAL 87.A N ALA 83.A O no hydrogen 2.968 N/A VAL 88.A N GLN 84.A O no hydrogen 3.208 N/A ARG 89.A N ARG 85.A O no hydrogen 2.887 N/A ARG 89.A NH1 ASP 86.A OD1 no hydrogen 2.740 N/A ARG 89.A NH2 ILE 305.A OXT no hydrogen 3.180 N/A GLU 90.A N ASP 86.A O no hydrogen 2.762 N/A ASN 91.A N VAL 87.A O no hydrogen 3.161 N/A ASN 91.A ND2 LYS 8.A O no hydrogen 2.940 N/A ASN 91.A ND2 VAL 87.A O no hydrogen 2.824 N/A LYS 92.A N ARG 89.A O no hydrogen 2.968 N/A LEU 93.A N VAL 88.A O no hydrogen 3.166 N/A CYS 96.A N ALA 42.A O no hydrogen 3.125 N/A TYR 97.A N TRP 125.A O no hydrogen 2.820 N/A LEU 98.A N VAL 40.A O no hydrogen 2.518 N/A ARG 99.A N ALA 123.A O no hydrogen 2.826 N/A ARG 99.A NE GLU 38.A O no hydrogen 2.962 N/A ARG 99.A NH2 TYR 97.A OH no hydrogen 2.818 N/A ILE 101.A N ALA 121.A O no hydrogen 2.842 N/A ILE 102.A N VAL 36.A O no hydrogen 2.666 N/A TRP 103.A N HIS 119.A O no hydrogen 3.079 N/A ILE 104.A N THR 29.A OG1 no hydrogen 2.798 N/A GLY 105.A N THR 117.A O no hydrogen 2.890 N/A GLU 107.A N ASN 116.A OD1 no hydrogen 2.654 N/A LYS 108.A N ASN 116.A OD1 no hydrogen 3.058 N/A ALA 113.A N GLY 110.A O no hydrogen 3.369 N/A ASN 116.A ND2 LYS 108.A O no hydrogen 2.849 N/A THR 117.A N GLU 107.A OE1 no hydrogen 2.734 N/A THR 117.A OG1 GLU 107.A OE2 no hydrogen 3.375 N/A HIS 119.A N TRP 103.A O no hydrogen 2.899 N/A HIS 119.A ND1 ASP 12.A OD2 no hydrogen 2.677 N/A VAL 120.A N ASP 12.A OD1 no hydrogen 2.869 N/A ALA 121.A N ILE 101.A O no hydrogen 2.968 N/A ILE 122.A N TRP 10.A O no hydrogen 2.766 N/A ALA 123.A N ARG 99.A O no hydrogen 3.244 N/A TRP 125.A N TYR 97.A O no hydrogen 3.044 N/A TYR 130.A N ALA 257.A O no hydrogen 3.424 N/A GLY 132.A N ALA 129.A O no hydrogen 3.171 N/A LEU 136.A N GLY 132.A O no hydrogen 3.167 N/A ALA 137.A N GLU 133.A O no hydrogen 3.449 N/A LYS 138.A N GLU 134.A O no hydrogen 2.945 N/A GLY 139.A N GLY 135.A O no hydrogen 2.820 N/A ILE 140.A N PRO 262.A O no hydrogen 2.894 N/A ARG 141.A N ASP 180.A OD2 no hydrogen 2.890 N/A ARG 141.A NE GLU 265.A OE1 no hydrogen 2.474 N/A ARG 141.A NH2 ASN 268.A OD1 no hydrogen 2.943 N/A VAL 142.A N GLU 265.A O no hydrogen 2.818 N/A LYS 143.A N GLU 181.A O no hydrogen 3.071 N/A LYS 143.A NZ THR 144.A O no hydrogen 3.192 N/A LYS 143.A NZ ASP 267.A OD1 no hydrogen 3.313 N/A THR 144.A N ASP 267.A OD1 no hydrogen 2.682 N/A THR 144.A OG1 ASP 267.A OD1 no hydrogen 3.309 N/A THR 144.A OG1 ASP 267.A OD2 no hydrogen 2.724 N/A SER 145.A N LEU 183.A O no hydrogen 2.755 N/A SER 145.A OG GLU 173.A OE1 no hydrogen 2.734 N/A SER 146.A N GLU 173.A OE1 no hydrogen 2.913 N/A SER 146.A OG GLU 173.A OE2 no hydrogen 2.449 N/A PHE 147.A N SER 145.A OG no hydrogen 2.928 N/A ARG 149.A N LEU 185.A O no hydrogen 2.850 N/A ARG 149.A NE SER 214.A O no hydrogen 2.848 N/A ARG 149.A NH1 SER 214.A O no hydrogen 2.896 N/A HIS 150.A NE2 TRP 163.A O no hydrogen 2.691 N/A ASN 153.A N HIS 151.A ND1 no hydrogen 2.972 N/A VAL 154.A N HIS 151.A O no hydrogen 3.103 N/A SER 155.A N HIS 151.A O no hydrogen 2.985 N/A SER 155.A OG HIS 150.A ND1 no hydrogen 3.086 N/A ARG 158.A NH1 LEU 212.A O no hydrogen 2.519 N/A ARG 158.A NH2 ALA 213.A O no hydrogen 2.803 N/A ALA 159.A N MET 156.A O no hydrogen 3.073 N/A SER 161.A N GLY 35.A O no hydrogen 2.911 N/A GLY 162.A N GLY 33.A O no hydrogen 2.953 N/A TRP 163.A N ALA 160.A O no hydrogen 3.083 N/A TRP 163.A NE1 MET 156.A O no hydrogen 2.948 N/A TYR 164.A N SER 161.A O no hydrogen 3.143 N/A ASN 166.A ND2 THR 148.A O no hydrogen 2.962 N/A SER 167.A OG SER 195.A O no hydrogen 2.689 N/A ILE 168.A N TYR 164.A O no hydrogen 2.832 N/A LEU 169.A N VAL 165.A O no hydrogen 2.979 N/A ALA 170.A N ASN 166.A O no hydrogen 3.129 N/A ASN 171.A N SER 167.A O no hydrogen 2.855 N/A ASN 171.A ND2 GLU 181.A OE1 no hydrogen 3.092 N/A GLN 172.A N ILE 168.A O no hydrogen 2.860 N/A GLU 173.A N LEU 169.A O no hydrogen 3.169 N/A ALA 174.A N ALA 170.A O no hydrogen 3.118 N/A THR 175.A N ASN 171.A O no hydrogen 2.942 N/A THR 175.A OG1 ASN 171.A O no hydrogen 3.209 N/A THR 175.A OG1 GLN 172.A O no hydrogen 3.435 N/A ALA 176.A N GLN 172.A O no hydrogen 2.955 N/A ASP 177.A N ALA 174.A O no hydrogen 3.265 N/A GLY 178.A N THR 175.A O no hydrogen 3.061 N/A TYR 179.A N ALA 174.A O no hydrogen 3.050 N/A ASP 180.A N ARG 141.A O no hydrogen 2.844 N/A ALA 182.A N GLU 181.A OE1 no hydrogen 2.770 N/A LEU 183.A N LYS 143.A O no hydrogen 2.887 N/A LEU 184.A N GLU 193.A O no hydrogen 2.791 N/A ASP 186.A N TYR 190.A O no hydrogen 2.738 N/A ASP 188.A N ASP 186.A OD1 no hydrogen 2.838 N/A GLY 189.A N ASP 186.A O no hydrogen 2.925 N/A TYR 190.A N ASP 186.A OD1 no hydrogen 3.020 N/A VAL 191.A N ILE 240.A O no hydrogen 2.752 N/A SER 192.A N LEU 184.A O no hydrogen 2.964 N/A SER 192.A OG SER 214.A OG no hydrogen 2.697 N/A GLY 194.A N GLU 197.A O no hydrogen 2.701 N/A SER 195.A OG GLU 181.A OE1 no hydrogen 2.726 N/A SER 195.A OG GLU 181.A OE2 no hydrogen 3.309 N/A GLY 196.A N GLU 197.A OE1 no hydrogen 2.946 N/A ASN 198.A N THR 254.A O no hydrogen 2.823 N/A ASN 198.A ND2 LEU 216.A O no hydrogen 3.064 N/A PHE 200.A N PHE 252.A O no hydrogen 2.915 N/A LEU 201.A N TYR 208.A O no hydrogen 2.849 N/A VAL 202.A N GLU 250.A O no hydrogen 2.742 N/A ASN 203.A N LYS 206.A O no hydrogen 3.000 N/A ARG 204.A N ASP 249.A OD2 no hydrogen 2.861 N/A LYS 206.A N ASN 203.A O no hydrogen 3.013 N/A LEU 207.A N GLU 234.A O no hydrogen 2.836 N/A TYR 208.A N LEU 201.A O no hydrogen 2.782 N/A THR 209.A N ILE 236.A O no hydrogen 3.035 N/A THR 209.A OG1 PHE 199.A O no hydrogen 2.671 N/A ASP 211.A N LYS 238.A O no hydrogen 3.292 N/A SER 214.A OG SER 192.A OG no hydrogen 2.697 N/A CYS 215.A SG ASP 211.A O no hydrogen 3.902 N/A CYS 215.A SG LEU 216.A O no hydrogen 3.696 N/A LEU 216.A N GLU 193.A OE2 no hydrogen 3.469 N/A GLY 218.A N LEU 216.A O no hydrogen 2.895 N/A ARG 221.A NH2 PRO 210.A O no hydrogen 3.163 N/A ARG 221.A NH2 GLU 237.A OE2 no hydrogen 2.830 N/A ASP 222.A N GLY 218.A O no hydrogen 3.006 N/A THR 223.A N ILE 219.A O no hydrogen 2.882 N/A THR 223.A OG1 ILE 219.A O no hydrogen 2.673 N/A VAL 224.A N THR 220.A O no hydrogen 2.892 N/A ILE 225.A N ARG 221.A O no hydrogen 3.095 N/A THR 226.A N ASP 222.A O no hydrogen 3.099 N/A THR 226.A OG1 ASP 222.A O no hydrogen 3.235 N/A LEU 227.A N THR 223.A O no hydrogen 2.994 N/A ALA 228.A N VAL 224.A O no hydrogen 2.813 N/A LYS 229.A N ILE 225.A O no hydrogen 2.962 N/A GLU 230.A N THR 226.A O no hydrogen 2.952 N/A ALA 231.A N LEU 227.A O no hydrogen 3.026 N/A ALA 231.A N ALA 228.A O no hydrogen 3.082 N/A GLY 232.A N LYS 229.A O no hydrogen 3.111 N/A ILE 233.A N ALA 228.A O no hydrogen 2.850 N/A ILE 236.A N LEU 207.A O no hydrogen 2.737 N/A LYS 238.A N THR 209.A O no hydrogen 3.138 N/A LYS 238.A NZ ARG 239.A O no hydrogen 2.739 N/A LYS 238.A NZ GLU 244.A OE1 no hydrogen 2.957 N/A LYS 238.A NZ GLU 244.A OE2 no hydrogen 2.909 N/A THR 241.A N GLU 244.A OE1 no hydrogen 3.301 N/A THR 241.A OG1 ASP 243.A OD1 no hydrogen 2.652 N/A ARG 242.A NE TYR 246.A OH no hydrogen 2.993 N/A ARG 242.A NH2 TYR 246.A OH no hydrogen 3.335 N/A ARG 242.A NH2 ASP 267.A OD2 no hydrogen 2.840 N/A GLU 244.A N THR 241.A O no hydrogen 3.182 N/A GLU 244.A N THR 241.A OG1 no hydrogen 3.206 N/A VAL 245.A N THR 241.A O no hydrogen 3.322 N/A TYR 246.A N ARG 242.A O no hydrogen 2.997 N/A TYR 246.A OH ASP 267.A OD2 no hydrogen 2.531 N/A THR 247.A N ASP 243.A O no hydrogen 3.280 N/A THR 247.A OG1 ASP 243.A O no hydrogen 2.893 N/A THR 247.A OG1 GLU 244.A O no hydrogen 3.432 N/A ALA 248.A N VAL 245.A O no hydrogen 3.052 N/A ASP 249.A N VAL 202.A O no hydrogen 2.856 N/A GLU 250.A N VAL 202.A O no hydrogen 3.154 N/A PHE 252.A N PHE 200.A O no hydrogen 2.908 N/A PHE 253.A N THR 261.A O no hydrogen 2.733 N/A THR 254.A N ASN 198.A O no hydrogen 2.880 N/A GLY 255.A N GLU 259.A O no hydrogen 3.170 N/A THR 256.A OG1 GLY 39.A O no hydrogen 3.232 N/A THR 261.A N PHE 253.A O no hydrogen 3.038 N/A THR 261.A OG1 ALA 258.A O no hydrogen 2.795 N/A ILE 263.A N ALA 251.A O no hydrogen 2.803 N/A ARG 264.A N ILE 140.A O no hydrogen 2.947 N/A ARG 264.A NE GLY 139.A O no hydrogen 3.143 N/A LEU 266.A N ARG 269.A O no hydrogen 2.991 N/A ASP 267.A N VAL 142.A O no hydrogen 2.917 N/A ASN 268.A ND2 TYR 179.A OH no hydrogen 2.978 N/A ARG 269.A N LEU 266.A O no hydrogen 2.843 N/A ARG 269.A NH1 ASP 267.A O no hydrogen 2.831 N/A ILE 271.A N ARG 264.A O no hydrogen 2.892 N/A GLY 274.A N ILE 271.A O no hydrogen 3.009 N/A ARG 276.A NH1 GLN 284.A OE1 no hydrogen 2.798 N/A ILE 279.A N GLU 250.A OE1 no hydrogen 2.894 N/A THR 280.A N GLU 250.A OE2 no hydrogen 2.763 N/A THR 280.A OG1 GLU 250.A OE2 no hydrogen 2.611 N/A GLU 281.A N GLY 277.A O no hydrogen 2.931 N/A LYS 282.A N PRO 278.A O no hydrogen 2.986 N/A LEU 283.A N ILE 279.A O no hydrogen 2.896 N/A GLN 284.A N THR 280.A O no hydrogen 2.728 N/A GLN 284.A NE2 LEU 136.A O no hydrogen 3.055 N/A GLN 284.A NE2 VAL 260.A O no hydrogen 2.644 N/A SER 285.A N GLU 281.A O no hydrogen 2.948 N/A SER 285.A OG GLU 281.A O no hydrogen 2.978 N/A ALA 286.A N LYS 282.A O no hydrogen 3.088 N/A PHE 287.A N LEU 283.A O no hydrogen 2.890 N/A PHE 288.A N GLN 284.A O no hydrogen 2.977 N/A ASP 289.A N SER 285.A O no hydrogen 2.876 N/A VAL 290.A N ALA 286.A O no hydrogen 3.125 N/A VAL 290.A N PHE 287.A O no hydrogen 2.968 N/A VAL 291.A N PHE 287.A O no hydrogen 3.088 N/A ASN 292.A N PHE 288.A O no hydrogen 2.995 N/A GLY 293.A N VAL 290.A O no hydrogen 3.040 N/A LYS 294.A N ASP 289.A O no hydrogen 2.774 N/A HIS 298.A NE2 GLU 230.A OE1 no hydrogen 2.687 N/A TRP 301.A N HIS 298.A O no hydrogen 3.223 N/A LEU 302.A N ALA 299.A O no hydrogen 3.018 N/A THR 303.A N ILE 52.A O no hydrogen 2.953 N/A ILE 305.A N THR 50.A O no hydrogen 3.011 N/A