Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r8v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N HIS 24.A ND1 no hydrogen 3.009 N/A LYS 2.A N GLU 79.A OE1 no hydrogen 3.141 N/A ILE 3.A N MET 25.A O no hydrogen 2.826 N/A ALA 4.A N LEU 80.A O no hydrogen 2.890 N/A VAL 5.A N GLY 28.A O no hydrogen 2.984 N/A ILE 6.A N VAL 82.A O no hydrogen 2.926 N/A GLY 7.A N PHE 30.A O no hydrogen 3.034 N/A SER 9.A N ASP 40.A OD1 no hydrogen 2.906 N/A SER 9.A N ASP 40.A OD2 no hydrogen 3.014 N/A SER 9.A OG GLN 8.A O no hydrogen 2.454 N/A GLN 13.A N SER 9.A O no hydrogen 2.892 N/A GLN 13.A NE2 GLU 45.A OE2 no hydrogen 3.186 N/A GLU 14.A N LEU 10.A O no hydrogen 2.768 N/A VAL 15.A N PHE 11.A O no hydrogen 2.906 N/A TYR 16.A N GLY 12.A O no hydrogen 2.937 N/A TYR 16.A OH ASP 49.A OD2 no hydrogen 2.731 N/A LYS 17.A N GLN 13.A O no hydrogen 2.960 N/A LYS 17.A NZ GLU 14.A OE2 no hydrogen 2.702 N/A GLU 18.A N GLU 14.A O no hydrogen 3.011 N/A LEU 19.A N VAL 15.A O no hydrogen 2.965 N/A LYS 20.A N TYR 16.A O no hydrogen 2.999 N/A ASN 21.A N LYS 17.A O no hydrogen 3.039 N/A GLU 22.A N GLU 18.A O no hydrogen 2.909 N/A GLY 23.A N LYS 20.A O no hydrogen 3.079 N/A HIS 24.A N LEU 19.A O no hydrogen 3.309 N/A MET 25.A N MET 1.A O no hydrogen 2.903 N/A VAL 27.A N ILE 3.A O no hydrogen 2.974 N/A VAL 29.A N PRO 52.A O no hydrogen 2.890 N/A PHE 30.A N VAL 5.A O no hydrogen 2.717 N/A THR 31.A N PHE 54.A O no hydrogen 2.826 N/A THR 31.A OG1 GLY 7.A O no hydrogen 2.652 N/A ILE 32.A N THR 31.A OG1 no hydrogen 2.675 N/A LYS 35.A N LYS 38.A O no hydrogen 3.142 N/A LEU 42.A N ASP 40.A OD2 no hydrogen 2.958 N/A ILE 44.A N ASP 40.A O no hydrogen 2.998 N/A GLU 45.A N PRO 41.A O no hydrogen 3.206 N/A ALA 46.A N LEU 42.A O no hydrogen 3.161 N/A GLU 47.A N ALA 43.A O no hydrogen 3.072 N/A LYS 48.A N ILE 44.A O no hydrogen 3.123 N/A ASP 49.A N ALA 46.A O no hydrogen 3.144 N/A GLY 50.A N GLU 47.A O no hydrogen 3.256 N/A VAL 51.A N ALA 46.A O no hydrogen 2.961 N/A PHE 54.A N VAL 29.A O no hydrogen 2.750 N/A LYS 55.A NZ ASP 34.A OD1 no hydrogen 2.827 N/A TRP 59.A NE1 GLN 88.A OE1 no hydrogen 2.946 N/A LEU 61.A N LYS 64.A O no hydrogen 2.860 N/A LYS 64.A N LEU 61.A O no hydrogen 3.060 N/A ILE 66.A N TRP 59.A O no hydrogen 3.008 N/A THR 67.A OG1 GLU 68.A OE1 no hydrogen 3.416 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.833 N/A VAL 70.A N ILE 66.A O no hydrogen 3.127 N/A ASP 71.A N THR 67.A O no hydrogen 2.911 N/A GLN 72.A N GLU 68.A O no hydrogen 3.059 N/A TYR 73.A N VAL 69.A O no hydrogen 2.920 N/A TYR 73.A OH ASN 81.A OD1 no hydrogen 2.445 N/A LYS 74.A N VAL 70.A O no hydrogen 2.847 N/A ALA 75.A N ASP 71.A O no hydrogen 3.000 N/A VAL 76.A N TYR 73.A O no hydrogen 3.326 N/A GLY 77.A N LYS 74.A O no hydrogen 3.085 N/A GLU 79.A N LYS 2.A O no hydrogen 2.744 N/A LEU 80.A N LYS 2.A O no hydrogen 3.218 N/A ASN 81.A N GLY 101.A O no hydrogen 3.096 N/A ASN 81.A ND2 VAL 94.A O no hydrogen 2.941 N/A ASN 81.A ND2 SER 102.A OG no hydrogen 3.099 N/A VAL 82.A N ALA 4.A O no hydrogen 2.877 N/A LEU 83.A N ILE 103.A O no hydrogen 2.896 N/A CYS 86.A SG GLN 88.A O no hydrogen 3.355 N/A SER 87.A OG GLN 8.A OE1 no hydrogen 2.637 N/A GLN 88.A NE2 PHE 56.A O no hydrogen 2.478 N/A VAL 94.A N PRO 91.A O no hydrogen 2.938 N/A ILE 95.A N PRO 91.A O no hydrogen 3.045 N/A ASP 96.A N MET 92.A O no hydrogen 2.861 N/A HIS 97.A N VAL 94.A O no hydrogen 3.153 N/A HIS 100.A N GLU 79.A O no hydrogen 2.829 N/A GLY 101.A N PRO 98.A O no hydrogen 2.864 N/A SER 102.A OG ILE 95.A O no hydrogen 2.610 N/A ILE 103.A N ASN 81.A O no hydrogen 2.997 N/A ILE 104.A N PHE 135.A O no hydrogen 2.841 N/A TYR 105.A N LEU 83.A O no hydrogen 3.133 N/A HIS 106.A N THR 133.A O no hydrogen 2.908 N/A HIS 106.A NE2 HIS 113.A O no hydrogen 2.834 N/A SER 108.A N HIS 106.A O no hydrogen 2.952 N/A SER 108.A OG ARG 112.A O no hydrogen 2.711 N/A SER 108.A OG HIS 113.A O no hydrogen 3.152 N/A LEU 110.A N THR 133.A OG1 no hydrogen 3.246 N/A ARG 112.A N LEU 109.A O no hydrogen 2.955 N/A ARG 112.A NE ASP 127.A OD2 no hydrogen 3.156 N/A ARG 112.A NH2 ASP 127.A OD1 no hydrogen 2.957 N/A HIS 113.A N THR 199.A OG1 no hydrogen 2.737 N/A HIS 113.A ND1 GLU 201.A OE1 no hydrogen 2.752 N/A HIS 113.A NE2 ASP 127.A OD2 no hydrogen 2.510 N/A ARG 114.A N THR 199.A O no hydrogen 2.813 N/A ARG 114.A NE ASP 142.A O no hydrogen 3.101 N/A ARG 114.A NE GLN 193.A OE1 no hydrogen 3.361 N/A ARG 114.A NH1 GLN 193.A OE1 no hydrogen 2.855 N/A ARG 114.A NH2 TYR 200.A OH no hydrogen 3.054 N/A GLY 115.A N ASP 142.A OD2 no hydrogen 2.783 N/A ASN 120.A ND2 ASN 227.A OD1 no hydrogen 3.346 N/A ASN 120.A ND2 VAL 230.A O no hydrogen 3.025 N/A TRP 121.A N SER 117.A O no hydrogen 3.081 N/A TRP 121.A NE1 CYS 202.A O no hydrogen 2.850 N/A THR 122.A N ALA 118.A O no hydrogen 2.896 N/A THR 122.A OG1 ALA 118.A O no hydrogen 2.714 N/A LEU 123.A N ILE 119.A O no hydrogen 3.347 N/A LEU 123.A N ASN 120.A O no hydrogen 3.114 N/A ILE 124.A N ASN 120.A O no hydrogen 2.839 N/A HIS 125.A N TRP 121.A O no hydrogen 3.072 N/A GLY 126.A N LEU 123.A O no hydrogen 2.818 N/A ASP 127.A N THR 122.A O no hydrogen 3.072 N/A LYS 129.A NZ ASP 153.A OD1 no hydrogen 2.265 N/A GLY 130.A N CYS 152.A O no hydrogen 2.939 N/A PHE 132.A N ARG 150.A O no hydrogen 3.028 N/A THR 133.A N HIS 106.A O no hydrogen 2.825 N/A THR 133.A OG1 SER 108.A O no hydrogen 2.798 N/A VAL 134.A N LEU 148.A O no hydrogen 2.814 N/A PHE 135.A N ILE 104.A O no hydrogen 3.109 N/A TRP 136.A N PRO 145.A O no hydrogen 2.823 N/A TRP 136.A NE1 PRO 189.A O no hydrogen 2.783 N/A ALA 137.A N SER 102.A O no hydrogen 2.945 N/A GLY 140.A N ASP 138.A OD2 no hydrogen 3.059 N/A THR 143.A OG1 ASP 138.A OD2 no hydrogen 2.705 N/A ILE 146.A N ILE 191.A O no hydrogen 2.677 N/A LEU 147.A N VAL 134.A O no hydrogen 2.776 N/A LEU 148.A N VAL 134.A O no hydrogen 3.174 N/A GLN 149.A NE2 LEU 110.A O no hydrogen 3.022 N/A GLN 149.A NE2 THR 133.A OG1 no hydrogen 2.803 N/A ARG 150.A N PHE 132.A O no hydrogen 2.940 N/A ARG 150.A NE GLN 149.A O no hydrogen 2.643 N/A CYS 152.A N GLY 130.A O no hydrogen 2.922 N/A CYS 152.A SG ASP 153.A O no hydrogen 3.894 N/A VAL 154.A N LYS 128.A O no hydrogen 2.907 N/A GLU 155.A N ASP 158.A OD2 no hydrogen 2.904 N/A ASP 158.A N GLU 155.A O no hydrogen 2.864 N/A ASN 159.A N SER 162.A OG no hydrogen 2.962 N/A ASN 159.A ND2 ASP 228.A OD1 no hydrogen 2.903 N/A VAL 160.A N ARG 225.A O no hydrogen 3.268 N/A ASN 161.A N ASP 228.A O no hydrogen 3.445 N/A SER 162.A N ASN 159.A OD1 no hydrogen 2.796 N/A SER 162.A OG ASP 158.A OD1 no hydrogen 2.840 N/A SER 162.A OG ASN 159.A O no hydrogen 3.298 N/A SER 162.A OG ASN 159.A OD1 no hydrogen 3.120 N/A ILE 163.A N ASN 159.A O no hydrogen 3.188 N/A TYR 164.A N VAL 160.A O no hydrogen 3.069 N/A LYS 165.A N ASN 161.A O no hydrogen 2.910 N/A ARG 166.A N SER 162.A O no hydrogen 2.869 N/A ARG 166.A NH1 ASP 158.A OD1 no hydrogen 2.685 N/A ARG 166.A NH1 ASP 158.A OD2 no hydrogen 3.314 N/A ARG 166.A NH2 ASP 153.A O no hydrogen 3.170 N/A ARG 166.A NH2 ASP 158.A OD2 no hydrogen 2.762 N/A PHE 167.A N ILE 163.A O no hydrogen 3.137 N/A LEU 168.A N ILE 163.A O no hydrogen 3.234 N/A PHE 169.A N TYR 164.A O no hydrogen 2.799 N/A GLU 171.A N PHE 167.A O no hydrogen 2.893 N/A VAL 173.A N PHE 169.A O no hydrogen 2.969 N/A LYS 174.A N PRO 170.A O no hydrogen 3.310 N/A LYS 174.A NZ GLU 171.A OE1 no hydrogen 2.627 N/A GLY 175.A N GLU 171.A O no hydrogen 2.778 N/A MET 176.A N GLY 172.A O no hydrogen 2.922 N/A VAL 177.A N VAL 173.A O no hydrogen 3.071 N/A GLU 178.A N LYS 174.A O no hydrogen 2.908 N/A ALA 179.A N GLY 175.A O no hydrogen 2.926 N/A VAL 180.A N MET 176.A O no hydrogen 3.053 N/A ARG 181.A N VAL 177.A O no hydrogen 2.917 N/A ARG 181.A NH1 GLU 22.A OE2 no hydrogen 3.202 N/A ARG 181.A NH2 GLU 178.A OE2 no hydrogen 3.564 N/A LEU 182.A N GLU 178.A O no hydrogen 2.848 N/A ILE 183.A N ALA 179.A O no hydrogen 2.957 N/A ALA 184.A N VAL 180.A O no hydrogen 2.841 N/A THR 185.A N ARG 181.A O no hydrogen 2.960 N/A THR 185.A OG1 ARG 181.A O no hydrogen 3.124 N/A THR 185.A OG1 LEU 182.A O no hydrogen 3.342 N/A GLY 186.A N ILE 183.A O no hydrogen 3.108 N/A LYS 187.A N LEU 182.A O no hydrogen 2.886 N/A ALA 188.A N LEU 182.A O no hydrogen 3.181 N/A ILE 191.A N ILE 146.A O no hydrogen 2.809 N/A GLN 193.A NE2 ASP 142.A O no hydrogen 2.983 N/A GLN 193.A NE2 GLY 144.A O no hydrogen 2.822 N/A ALA 198.A N GLU 195.A O no hydrogen 3.266 N/A THR 199.A N PRO 111.A O no hydrogen 3.146 N/A THR 199.A OG1 GLU 201.A OE2 no hydrogen 2.862 N/A GLU 201.A N ARG 114.A O no hydrogen 3.375 N/A CYS 202.A SG ILE 203.A O no hydrogen 3.915 N/A CYS 202.A SG GLN 204.A OE1 no hydrogen 3.388 N/A GLN 204.A N SER 117.A OG no hydrogen 2.827 N/A GLN 204.A NE2 ASN 227.A OD1 no hydrogen 3.030 N/A LYS 205.A N ASN 208.A OD1 no hydrogen 2.788 N/A LYS 206.A NZ PRO 231.A O no hydrogen 2.674 N/A LYS 206.A NZ GLY 232.A O no hydrogen 3.234 N/A LYS 206.A NZ SER 243.A OG no hydrogen 2.821 N/A ASN 208.A N LYS 205.A O no hydrogen 3.294 N/A ASN 208.A ND2 ILE 203.A O no hydrogen 3.039 N/A SER 209.A N LYS 206.A O no hydrogen 3.265 N/A SER 209.A OG LYS 205.A O no hydrogen 3.416 N/A SER 209.A OG LYS 206.A O no hydrogen 3.359 N/A SER 209.A OG GLY 232.A O no hydrogen 2.971 N/A ILE 211.A N TRP 234.A O no hydrogen 2.874 N/A ASN 214.A N ASP 212.A OD1 no hydrogen 3.054 N/A GLN 215.A NE2 ASP 212.A O no hydrogen 2.931 N/A ALA 217.A N ASP 284.A OD1 no hydrogen 3.068 N/A ILE 220.A N PRO 216.A O no hydrogen 3.120 N/A HIS 221.A N ALA 217.A O no hydrogen 2.845 N/A HIS 221.A ND1 SER 247.A OG no hydrogen 2.765 N/A HIS 221.A NE2 PRO 156.A O no hydrogen 2.822 N/A ASN 222.A N GLU 218.A O no hydrogen 2.940 N/A TRP 223.A N ALA 219.A O no hydrogen 2.863 N/A TRP 223.A NE1 SER 209.A O no hydrogen 3.127 N/A ILE 224.A N ILE 220.A O no hydrogen 2.903 N/A ARG 225.A N HIS 221.A O no hydrogen 2.925 N/A ARG 225.A NE ASN 222.A OD1 no hydrogen 2.727 N/A ARG 225.A NH1 GLU 155.A O no hydrogen 2.866 N/A ARG 225.A NH1 ASP 158.A O no hydrogen 3.033 N/A ARG 225.A NH2 ASN 222.A OD1 no hydrogen 2.863 N/A GLY 226.A N ASN 222.A O no hydrogen 2.747 N/A ASN 227.A N ILE 224.A O no hydrogen 3.152 N/A ASN 227.A ND2 TRP 223.A O no hydrogen 2.804 N/A ASP 228.A N ARG 225.A O no hydrogen 3.427 N/A ARG 229.A N ASN 161.A OD1 no hydrogen 2.853 N/A GLY 232.A N ASN 227.A O no hydrogen 2.691 N/A TRP 234.A N SER 209.A O no hydrogen 3.353 N/A TRP 234.A NE1 LYS 206.A O no hydrogen 2.725 N/A ALA 235.A N VAL 242.A O no hydrogen 2.945 N/A ILE 237.A N LYS 240.A O no hydrogen 3.004 N/A LYS 240.A N ILE 237.A O no hydrogen 3.420 N/A VAL 242.A N ALA 235.A O no hydrogen 2.871 N/A SER 243.A N GLN 294.A O no hydrogen 2.829 N/A PHE 244.A N ALA 233.A O no hydrogen 2.849 N/A TYR 245.A N ASN 292.A O no hydrogen 3.043 N/A TYR 245.A OH GLN 294.A OE1 no hydrogen 2.916 N/A GLY 246.A N ASP 228.A OD1 no hydrogen 2.815 N/A SER 247.A OG HIS 221.A ND1 no hydrogen 2.765 N/A THR 248.A N LEU 289.A O no hydrogen 3.059 N/A THR 248.A OG1 LEU 249.A O no hydrogen 3.297 N/A LEU 250.A N MET 287.A O no hydrogen 3.116 N/A HIS 254.A ND1 HIS 254.A O no hydrogen 2.719 N/A ASN 258.A ND2 ASN 258.A O no hydrogen 2.749 N/A GLN 260.A N VAL 273.A O no hydrogen 2.937 N/A LEU 262.A N ALA 271.A O no hydrogen 2.690 N/A ALA 267.A N ILE 264.A O no hydrogen 2.935 N/A ARG 269.A NE ALA 270.A O no hydrogen 2.821 N/A ARG 269.A NH1 ALA 270.A O no hydrogen 3.515 N/A ALA 271.A N LEU 262.A O no hydrogen 2.720 N/A LEU 272.A N VAL 279.A O no hydrogen 2.916 N/A VAL 273.A N GLN 260.A O no hydrogen 2.821 N/A THR 274.A N GLY 277.A O no hydrogen 2.829 N/A THR 274.A OG1 GLY 277.A O no hydrogen 2.853 N/A ASN 276.A N THR 274.A OG1 no hydrogen 3.129 N/A GLY 277.A N THR 274.A O no hydrogen 3.054 N/A LEU 278.A N VAL 290.A O no hydrogen 2.846 N/A VAL 279.A N LEU 272.A O no hydrogen 2.707 N/A LEU 280.A N LEU 288.A O no hydrogen 2.807 N/A GLY 282.A N LYS 286.A O no hydrogen 2.936 N/A ASN 283.A N GLN 215.A O no hydrogen 2.781 N/A ASN 283.A ND2 ASN 214.A OD1 no hydrogen 3.447 N/A GLY 285.A N GLY 282.A O no hydrogen 3.086 N/A LYS 286.A N ASP 284.A OD1 no hydrogen 3.268 N/A LEU 288.A N LEU 280.A O no hydrogen 2.903 N/A LEU 289.A N THR 248.A O no hydrogen 2.761 N/A VAL 290.A N LEU 278.A O no hydrogen 2.784 N/A LYS 291.A N GLY 246.A O no hydrogen 2.965 N/A ASN 292.A N TYR 245.A O no hydrogen 2.997 N/A LEU 293.A N ILE 301.A O no hydrogen 2.687 N/A GLN 294.A N SER 243.A O no hydrogen 2.992 N/A GLN 294.A NE2 GLY 298.A O no hydrogen 3.025 N/A PHE 295.A N LYS 299.A O no hydrogen 3.409 N/A ILE 301.A N LEU 293.A O no hydrogen 2.777 N/A GLY 303.A N LYS 291.A O no hydrogen 2.600 N/A GLN 305.A N PRO 302.A O no hydrogen 2.967 N/A GLN 305.A NE2 SER 304.A OG no hydrogen 2.988 N/A TYR 306.A N GLY 303.A O no hydrogen 3.216 N/A