Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nib_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 ASP 1.A O no hydrogen 2.634 N/A LEU 5.A N ILE 2.A O no hydrogen 3.036 N/A ARG 7.A NE GLU 33.A OE2 no hydrogen 2.936 N/A ARG 7.A NH2 GLU 33.A OE2 no hydrogen 2.686 N/A ARG 7.A NH2 GLU 75.A OE2 no hydrogen 2.773 N/A VAL 8.A N VAL 31.A O no hydrogen 3.063 N/A VAL 10.A N GLU 33.A O no hydrogen 2.995 N/A PHE 17.A N LYS 14.A O no hydrogen 3.277 N/A GLN 23.A NE2 TYR 165.A O no hydrogen 2.797 N/A ALA 25.A N ARG 152.A O no hydrogen 2.806 N/A THR 27.A OG1 GLY 28.A O no hydrogen 3.328 N/A ARG 30.A N ASP 72.A OD1 no hydrogen 3.175 N/A VAL 31.A N PRO 6.A O no hydrogen 2.995 N/A VAL 32.A N TYR 73.A O no hydrogen 2.834 N/A GLU 33.A N VAL 8.A O no hydrogen 2.819 N/A PHE 34.A N GLU 75.A O no hydrogen 2.921 N/A MET 36.A N ARG 77.A O no hydrogen 3.004 N/A THR 37.A N ASN 58.A OD1 no hydrogen 2.935 N/A ILE 38.A N ILE 79.A O no hydrogen 2.761 N/A GLU 39.A N THR 56.A O no hydrogen 2.979 N/A GLU 40.A N ASN 84.A OD1 no hydrogen 2.897 N/A LYS 41.A N ALA 54.A O no hydrogen 2.843 N/A LYS 41.A NZ GLY 59.A O no hydrogen 3.239 N/A LEU 43.A N ILE 52.A O no hydrogen 2.771 N/A ILE 45.A N THR 50.A O no hydrogen 2.991 N/A GLY 49.A N ASP 46.A O no hydrogen 3.165 N/A THR 50.A N ASP 46.A OD1 no hydrogen 2.985 N/A THR 50.A OG1 ASP 46.A OD1 no hydrogen 2.956 N/A THR 50.A OG1 ASP 46.A OD2 no hydrogen 2.902 N/A ILE 52.A N LEU 43.A O no hydrogen 2.942 N/A ALA 54.A N LYS 41.A O no hydrogen 2.620 N/A MET 55.A N SER 141.A O no hydrogen 3.180 N/A THR 56.A N GLU 39.A O no hydrogen 2.766 N/A THR 56.A OG1 GLU 39.A O no hydrogen 2.826 N/A ASN 58.A N THR 37.A O no hydrogen 2.830 N/A SER 60.A OG PRO 62.A O no hydrogen 2.838 N/A GLY 63.A N ASN 144.A O no hydrogen 2.835 N/A MET 66.A N ALA 146.A O no hydrogen 3.233 N/A VAL 68.A N MET 148.A O no hydrogen 2.890 N/A HIS 69.A N ASP 72.A OD2 no hydrogen 2.974 N/A GLU 70.A N LEU 150.A O no hydrogen 2.866 N/A ASN 71.A N ALA 119.A O no hydrogen 2.659 N/A ASP 72.A N HIS 69.A O no hydrogen 2.964 N/A TYR 73.A N ARG 30.A O no hydrogen 2.778 N/A VAL 74.A N PHE 117.A O no hydrogen 2.822 N/A GLU 75.A N VAL 32.A O no hydrogen 3.010 N/A LEU 76.A N LEU 115.A O no hydrogen 2.830 N/A ARG 77.A N PHE 34.A O no hydrogen 2.885 N/A ARG 77.A NE GLU 112.A OE2 no hydrogen 3.063 N/A ARG 77.A NH2 GLU 112.A OE1 no hydrogen 2.998 N/A LEU 78.A N THR 113.A O no hydrogen 2.760 N/A ILE 79.A N MET 36.A O no hydrogen 3.046 N/A ASN 80.A N GLU 111.A O no hydrogen 2.983 N/A ASN 80.A ND2 LEU 86.A O ASN 80.A HD21 3.163 2.219 ASN 80.A ND2 VAL 107.A O ASN 80.A HD22 2.720 1.889 ASN 84.A N PRO 81.A O no hydrogen 3.047 N/A ASN 84.A ND2 ILE 38.A O ASN 84.A HD21 2.850 1.905 ASN 84.A ND2 ASN 80.A OD1 ASN 84.A HD22 2.823 1.913 THR 85.A N GLU 40.A OE1 no hydrogen 3.008 N/A THR 85.A N GLU 40.A OE2 no hydrogen 3.199 N/A THR 85.A OG1 GLU 40.A OE1 no hydrogen 2.990 N/A LEU 86.A N GLU 40.A OE2 no hydrogen 2.893 N/A HIS 88.A N VAL 107.A O no hydrogen 3.089 N/A HIS 88.A ND1 HIS 138.A ND1 no hydrogen 2.996 N/A HIS 88.A NE2 GLU 40.A OE2 no hydrogen 2.954 N/A ASN 89.A ND2 GLY 102.A O ASN 89.A HD22 2.878 1.966 ASN 89.A ND2 ALA 130.A O ASN 89.A HD21 3.114 2.225 ILE 90.A N THR 105.A OG1 no hydrogen 3.141 N/A ASP 91.A N HIS 128.A O no hydrogen 2.948 N/A PHE 92.A N GLY 100.A O no hydrogen 2.854 N/A HIS 93.A N VAL 126.A O no hydrogen 2.903 N/A HIS 93.A NE2 HIS 128.A NE2 no hydrogen 3.121 N/A ALA 95.A N PHE 92.A O no hydrogen 3.433 N/A GLY 100.A N GLY 97.A O no hydrogen 2.841 N/A GLY 101.A N ALA 98.A O no hydrogen 2.913 N/A GLY 102.A N LEU 99.A O no hydrogen 3.095 N/A ALA 103.A N ALA 98.A O no hydrogen 3.148 N/A LEU 104.A N GLY 101.A O no hydrogen 2.889 N/A THR 105.A OG1 ILE 90.A O no hydrogen 3.143 N/A THR 105.A OG1 GLY 101.A O no hydrogen 2.846 N/A GLN 106.A NE2 GLY 102.A O no hydrogen 3.489 N/A VAL 107.A N HIS 88.A O no hydrogen 2.818 N/A ASN 108.A N GLU 111.A OE1 no hydrogen 2.901 N/A ASN 108.A ND2 GLU 111.A OE1 ASN 108.A HD22 3.441 2.784 GLY 110.A N ASN 80.A O no hydrogen 2.684 N/A GLU 111.A N ASN 108.A O no hydrogen 2.883 N/A THR 113.A N LEU 78.A O no hydrogen 2.898 N/A LEU 115.A N LEU 76.A O no hydrogen 2.994 N/A ARG 116.A NH1 GLU 75.A OE1 no hydrogen 2.790 N/A PHE 117.A N VAL 74.A O no hydrogen 3.013 N/A ALA 119.A N ASP 72.A O no hydrogen 2.981 N/A GLY 123.A N VAL 149.A O no hydrogen 2.937 N/A VAL 124.A N GLY 261.A O no hydrogen 2.826 N/A PHE 125.A N ILE 147.A O no hydrogen 2.722 N/A TYR 127.A N GLY 145.A O no hydrogen 3.031 N/A TYR 127.A OH PRO 64.A O no hydrogen 2.849 N/A HIS 128.A N ASP 91.A O no hydrogen 2.858 N/A HIS 128.A ND1 CYS 129.A O no hydrogen 2.957 N/A HIS 128.A NE2 HIS 93.A NE2 no hydrogen 3.121 N/A CYS 129.A N MET 143.A O no hydrogen 3.147 N/A CYS 129.A SG HIS 88.A ND1 no hydrogen 3.821 N/A CYS 129.A SG ASN 89.A OD1 no hydrogen 3.642 N/A CYS 129.A SG HIS 138.A ND1 no hydrogen 3.063 N/A ALA 130.A N ASN 89.A OD1 no hydrogen 2.801 N/A MET 134.A N PRO 131.A O no hydrogen 2.922 N/A TRP 137.A N MET 134.A O no hydrogen 3.249 N/A HIS 138.A N MET 134.A O no hydrogen 3.225 N/A VAL 139.A N VAL 135.A O no hydrogen 3.167 N/A THR 140.A N PRO 136.A O no hydrogen 3.176 N/A THR 140.A OG1 PRO 136.A O no hydrogen 2.611 N/A SER 141.A N HIS 138.A O no hydrogen 3.225 N/A SER 141.A OG TRP 137.A O no hydrogen 2.632 N/A GLY 142.A N VAL 139.A O no hydrogen 3.065 N/A MET 143.A N HIS 138.A O no hydrogen 3.265 N/A ASN 144.A N GLY 142.A O no hydrogen 2.868 N/A ASN 144.A ND2 VAL 139.A O ASN 144.A HD22 3.025 2.378 ASN 144.A ND2 GLN 174.A OE1 ASN 144.A HD21 2.774 1.845 GLY 145.A N TYR 127.A O no hydrogen 2.940 N/A ILE 147.A N PHE 125.A O no hydrogen 2.822 N/A MET 148.A N MET 66.A O no hydrogen 2.719 N/A VAL 149.A N GLY 123.A O no hydrogen 2.873 N/A LEU 150.A N VAL 68.A O no hydrogen 2.744 N/A ARG 152.A NH1 THR 27.A O no hydrogen 2.818 N/A ARG 152.A NH2 THR 27.A O no hydrogen 2.728 N/A ASP 153.A N ASP 153.A OD1 no hydrogen 2.627 N/A GLY 154.A N PRO 151.A O no hydrogen 3.097 N/A LYS 156.A NZ ASP 153.A O no hydrogen 2.906 N/A ASP 157.A N GLN 161.A O no hydrogen 2.807 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.606 N/A LYS 159.A N ASP 157.A OD1 no hydrogen 2.925 N/A GLY 160.A N ASP 157.A O no hydrogen 2.990 N/A GLN 161.A N ASP 157.A OD1 no hydrogen 2.817 N/A GLN 161.A NE2 LYS 159.A O no hydrogen 3.280 N/A LEU 163.A N LEU 155.A O no hydrogen 2.977 N/A TYR 165.A N GLN 23.A OE1 no hydrogen 3.182 N/A ASP 166.A N ARG 233.A O no hydrogen 2.707 N/A LYS 167.A N ARG 233.A O no hydrogen 3.279 N/A LYS 167.A NZ GLU 232.A OE1 no hydrogen 3.312 N/A LYS 167.A NZ GLU 232.A OE2 no hydrogen 3.031 N/A TYR 169.A N LEU 235.A O no hydrogen 2.924 N/A TYR 169.A OH THR 227.A O no hydrogen 2.713 N/A TYR 170.A N PRO 16.A O no hydrogen 2.843 N/A TYR 170.A OH SER 239.A OG no hydrogen 2.621 N/A VAL 171.A N VAL 237.A O no hydrogen 2.794 N/A GLU 173.A N SER 239.A O no hydrogen 3.115 N/A GLN 174.A N VAL 212.A O no hydrogen 2.754 N/A GLN 174.A NE2 VAL 139.A O no hydrogen 3.298 N/A GLN 174.A NE2 ASP 175.A O no hydrogen 3.239 N/A ASP 175.A N ASP 175.A OD1 no hydrogen 2.659 N/A PHE 176.A N HIS 210.A O no hydrogen 2.959 N/A TYR 177.A OH ASP 175.A OD2 no hydrogen 2.644 N/A VAL 178.A N THR 209.A OG1 no hydrogen 3.094 N/A ASP 181.A N ASN 185.A O no hydrogen 2.870 N/A ALA 183.A N ASP 181.A OD1 no hydrogen 3.318 N/A GLY 184.A N ASP 181.A O no hydrogen 3.113 N/A GLY 184.A N ASP 181.A OD1 no hydrogen 3.315 N/A ASN 185.A N ASP 181.A OD1 no hydrogen 3.057 N/A ASN 185.A ND2 ASP 181.A OD1 ASN 185.A HD22 3.076 2.195 LYS 187.A N PRO 179.A O no hydrogen 2.890 N/A LYS 187.A NZ ASP 198.A OD2 no hydrogen 3.279 N/A TYR 189.A OH ASP 198.A OD2 no hydrogen 2.608 N/A GLU 190.A N GLU 194.A OE1 no hydrogen 2.832 N/A GLU 194.A N THR 191.A O no hydrogen 3.244 N/A ALA 195.A N PRO 192.A O no hydrogen 2.932 N/A TYR 196.A N PRO 192.A O no hydrogen 3.274 N/A TYR 196.A N GLY 193.A O no hydrogen 3.317 N/A ALA 199.A N ALA 195.A O no hydrogen 2.874 N/A VAL 200.A N TYR 196.A O no hydrogen 3.018 N/A LYS 201.A N GLU 197.A O no hydrogen 3.504 N/A ALA 202.A N ASP 198.A O no hydrogen 2.971 N/A MET 203.A N ALA 199.A O no hydrogen 2.858 N/A ARG 204.A N VAL 200.A O no hydrogen 3.058 N/A THR 205.A N ALA 202.A O no hydrogen 3.249 N/A THR 205.A OG1 ALA 202.A O no hydrogen 2.939 N/A LEU 206.A N MET 203.A O no hydrogen 2.842 N/A THR 207.A N THR 205.A OG1 no hydrogen 3.220 N/A THR 207.A OG1 THR 205.A O no hydrogen 3.281 N/A THR 209.A N PHE 176.A O no hydrogen 2.897 N/A THR 209.A OG1 PHE 176.A O no hydrogen 3.536 N/A THR 209.A OG1 HIS 210.A ND1 no hydrogen 2.690 N/A HIS 210.A N PHE 176.A O no hydrogen 3.522 N/A HIS 210.A ND1 THR 209.A OG1 no hydrogen 2.690 N/A HIS 210.A NE2 ASP 46.A OD2 no hydrogen 2.924 N/A ILE 211.A N LEU 307.A O no hydrogen 3.002 N/A VAL 212.A N GLN 174.A O no hydrogen 2.995 N/A ASN 214.A N GLY 172.A O no hydrogen 3.011 N/A ALA 216.A N PHE 213.A O no hydrogen 3.422 N/A VAL 217.A N ILE 45.A O no hydrogen 2.979 N/A ALA 219.A N ALA 216.A O no hydrogen 2.991 N/A THR 221.A N GLY 218.A O no hydrogen 3.182 N/A THR 221.A OG1 GLY 218.A O no hydrogen 2.866 N/A HIS 224.A N THR 221.A O no hydrogen 2.857 N/A ALA 225.A N GLY 222.A O no hydrogen 3.308 N/A LEU 226.A N HIS 312.A O no hydrogen 2.796 N/A THR 227.A N TYR 169.A OH no hydrogen 3.226 N/A THR 227.A OG1 TYR 169.A OH no hydrogen 3.389 N/A ALA 228.A N LYS 314.A O no hydrogen 3.276 N/A ALA 229.A N GLU 232.A OE1 no hydrogen 2.998 N/A VAL 230.A N THR 316.A O no hydrogen 2.829 N/A GLY 231.A N PHE 288.A O no hydrogen 2.735 N/A GLU 232.A N ALA 229.A O no hydrogen 3.083 N/A ARG 233.A N ASP 166.A OD2 no hydrogen 2.941 N/A ARG 233.A NH1 ASP 166.A OD2 no hydrogen 3.007 N/A VAL 234.A N TYR 286.A O no hydrogen 2.756 N/A LEU 235.A N LYS 167.A O no hydrogen 2.940 N/A VAL 236.A N ALA 284.A O no hydrogen 2.786 N/A VAL 237.A N TYR 169.A O no hydrogen 2.901 N/A HIS 238.A N GLY 282.A O no hydrogen 2.819 N/A HIS 238.A ND1 TYR 296.A OH no hydrogen 2.698 N/A HIS 238.A NE2 GLU 173.A OE1 no hydrogen 2.928 N/A SER 239.A N VAL 171.A O no hydrogen 3.153 N/A SER 239.A OG TYR 170.A OH no hydrogen 2.621 N/A GLN 240.A N THR 280.A O no hydrogen 3.171 N/A GLN 240.A NE2 ASP 175.A OD1 no hydrogen 3.093 N/A ASN 242.A N GLN 240.A OE1 no hydrogen 2.856 N/A ASN 242.A ND2 ASP 175.A OD2 ASN 242.A HD22 3.113 2.197 ARG 243.A N GLN 240.A OE1 no hydrogen 2.851 N/A ARG 243.A NH2 GLU 303.A OE2 no hydrogen 2.823 N/A THR 245.A N ILE 276.A O no hydrogen 3.086 N/A THR 245.A OG1 GLU 173.A OE1 no hydrogen 2.570 N/A THR 245.A OG1 GLU 173.A OE2 no hydrogen 3.003 N/A ARG 246.A NH1 ASN 298.A OD1 no hydrogen 3.082 N/A ARG 246.A NH1 GLU 303.A OE1 no hydrogen 3.273 N/A HIS 248.A ND1 GLU 272.A O no hydrogen 2.736 N/A HIS 248.A ND1 THR 273.A OG1 no hydrogen 2.974 N/A ILE 250.A N ALA 295.A O no hydrogen 2.764 N/A GLY 252.A N LEU 249.A O no hydrogen 2.979 N/A GLY 254.A N GLN 271.A O no hydrogen 2.816 N/A TYR 256.A N PHE 285.A O no hydrogen 3.218 N/A VAL 257.A N ASP 268.A O no hydrogen 2.870 N/A TRP 258.A N ALA 283.A O no hydrogen 2.928 N/A TRP 258.A NE1 ASN 265.A O no hydrogen 3.006 N/A GLY 261.A N TRP 258.A O no hydrogen 2.865 N/A LYS 262.A NZ VAL 124.A O no hydrogen 2.847 N/A LYS 262.A NZ THR 260.A O no hydrogen 2.832 N/A ARG 264.A NH2 GLU 70.A OE2 no hydrogen 2.894 N/A ASN 265.A N LYS 262.A O no hydrogen 3.217 N/A ASN 265.A ND2 LYS 262.A O ASN 265.A HD22 3.018 2.144 ASP 268.A N VAL 257.A O no hydrogen 2.771 N/A ASP 270.A N ASP 255.A O no hydrogen 3.229 N/A GLN 271.A N GLY 254.A O no hydrogen 2.884 N/A GLN 271.A NE2 LEU 269.A O no hydrogen 2.894 N/A THR 273.A OG1 HIS 248.A ND1 no hydrogen 2.974 N/A TRP 274.A N PRO 247.A O no hydrogen 3.450 N/A ILE 276.A N THR 245.A O no hydrogen 2.818 N/A GLY 278.A N ASP 244.A OD1 no hydrogen 2.908 N/A GLY 279.A N GLN 240.A O no hydrogen 2.694 N/A THR 280.A N GLN 240.A O no hydrogen 3.319 N/A THR 280.A OG1 PRO 277.A O no hydrogen 3.114 N/A GLY 282.A N HIS 238.A O no hydrogen 2.816 N/A ALA 283.A N TRP 258.A O no hydrogen 3.078 N/A ALA 284.A N VAL 236.A O no hydrogen 3.014 N/A PHE 285.A N TYR 256.A O no hydrogen 2.805 N/A TYR 286.A N VAL 234.A O no hydrogen 2.971 N/A THR 287.A N ASP 255.A OD2 no hydrogen 3.263 N/A PHE 288.A N GLU 232.A O no hydrogen 3.122 N/A ARG 289.A NE THR 287.A O no hydrogen 3.088 N/A ARG 289.A NH2 ASP 255.A OD1 no hydrogen 3.208 N/A ARG 289.A NH2 THR 287.A O no hydrogen 3.161 N/A GLN 290.A NE2 ASN 320.A O no hydrogen 2.967 N/A GLY 292.A N VAL 315.A O no hydrogen 2.732 N/A TYR 294.A N PHE 313.A O no hydrogen 2.833 N/A TYR 294.A OH GLN 290.A O no hydrogen 2.793 N/A TYR 296.A N GLY 311.A O no hydrogen 2.812 N/A TYR 296.A OH HIS 238.A ND1 no hydrogen 2.698 N/A VAL 297.A N HIS 248.A O no hydrogen 2.840 N/A ASN 298.A N ALA 309.A O no hydrogen 3.262 N/A ASN 298.A ND2 GLU 173.A OE2 ASN 298.A HD22 3.018 2.216 HIS 299.A N ARG 246.A O no hydrogen 2.755 N/A HIS 299.A ND1 HIS 299.A O no hydrogen 2.644 N/A ASN 300.A N ASN 298.A OD1 no hydrogen 3.008 N/A ALA 304.A N ASN 300.A O no hydrogen 3.089 N/A PHE 305.A N LEU 301.A O no hydrogen 2.888 N/A GLU 306.A N ILE 302.A O no hydrogen 2.782 N/A LEU 307.A N ILE 302.A O no hydrogen 3.149 N/A ALA 309.A N GLU 303.A O no hydrogen 2.999 N/A ALA 310.A N GLY 308.A O no hydrogen 2.853 N/A GLY 311.A N TYR 296.A O no hydrogen 2.828 N/A HIS 312.A N LEU 220.A O no hydrogen 2.684 N/A HIS 312.A ND1 GLY 311.A O no hydrogen 3.053 N/A PHE 313.A N TYR 294.A O no hydrogen 2.746 N/A LYS 314.A N LEU 226.A O no hydrogen 2.780 N/A LYS 314.A NZ GLY 222.A O no hydrogen 2.631 N/A VAL 315.A N GLY 292.A O no hydrogen 2.810 N/A THR 316.A N ALA 228.A O no hydrogen 3.219 N/A TRP 319.A NE1 MET 324.A O no hydrogen 2.873 N/A ASN 320.A N GLN 290.A OE1 no hydrogen 2.694 N/A ASP 322.A N ASN 320.A OD1 no hydrogen 3.030 N/A LEU 323.A N ASN 320.A O no hydrogen 3.107 N/A MET 324.A N ASN 320.A O no hydrogen 3.372 N/A THR 325.A OG1 ASP 321.A OD1 no hydrogen 2.848 N/A