Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8tup_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ARG 20.A O no hydrogen 3.189 N/A THR 7.A N ILE 69.A O no hydrogen 2.883 N/A LYS 8.A N THR 16.A O no hydrogen 2.863 N/A PHE 9.A N LEU 67.A O no hydrogen 2.720 N/A ASP 10.A N ASN 14.A O no hydrogen 3.156 N/A GLY 13.A N ASP 10.A O no hydrogen 3.223 N/A THR 16.A N LYS 8.A O no hydrogen 3.025 N/A THR 16.A OG1 LYS 8.A O no hydrogen 3.520 N/A PHE 18.A N VAL 6.A O no hydrogen 3.400 N/A ARG 20.A NH2 GLU 28.A OE1 no hydrogen 2.431 N/A LYS 22.A N PRO 2.A O no hydrogen 3.346 N/A LEU 25.A N LYS 21.A O no hydrogen 2.861 N/A TYR 26.A N LYS 22.A O no hydrogen 2.907 N/A GLN 27.A N THR 23.A O no hydrogen 3.412 N/A GLU 28.A N GLU 24.A O no hydrogen 2.913 N/A LEU 29.A N LEU 25.A O no hydrogen 2.892 N/A GLY 30.A N GLN 27.A O no hydrogen 3.344 N/A LEU 31.A N TYR 26.A O no hydrogen 2.897 N/A GLN 32.A N ASP 35.A OD2 no hydrogen 3.418 N/A ASP 35.A N GLN 32.A O no hydrogen 3.083 N/A SER 43.A N ARG 54.A O no hydrogen 3.258 N/A THR 45.A N ILE 52.A O no hydrogen 2.802 N/A THR 45.A OG1 ILE 52.A O no hydrogen 3.024 N/A ARG 47.A N ARG 50.A O no hydrogen 2.869 N/A ASN 48.A ND2 GLY 30.A O no hydrogen 2.315 N/A ARG 50.A N ARG 47.A O no hydrogen 2.989 N/A ARG 50.A NH1 ASN 49.A O no hydrogen 2.949 N/A ILE 51.A N ILE 62.A O no hydrogen 3.086 N/A ILE 52.A N THR 45.A O no hydrogen 2.650 N/A MET 53.A N ALA 60.A O no hydrogen 3.126 N/A ARG 54.A N SER 43.A O no hydrogen 2.834 N/A ARG 54.A NE GLU 56.A O no hydrogen 2.623 N/A ARG 54.A NH2 GLU 56.A O no hydrogen 2.801 N/A MET 55.A N LEU 58.A O no hydrogen 2.696 N/A GLU 56.A N VAL 41.A O no hydrogen 2.731 N/A LEU 58.A N MET 55.A O no hydrogen 2.735 N/A ALA 60.A N MET 53.A O no hydrogen 3.108 N/A VAL 61.A N LEU 68.A O no hydrogen 2.964 N/A ILE 62.A N ILE 51.A O no hydrogen 2.807 N/A THR 63.A N CYS 66.A O no hydrogen 2.796 N/A THR 63.A OG1 CYS 66.A O no hydrogen 2.417 N/A CYS 66.A N THR 63.A O no hydrogen 3.413 N/A CYS 66.A SG THR 63.A OG1 no hydrogen 2.657 N/A LEU 67.A N PHE 9.A O no hydrogen 2.857 N/A LEU 68.A N VAL 61.A O no hydrogen 2.941 N/A ILE 69.A N THR 7.A O no hydrogen 2.869 N/A LEU 70.A N LYS 59.A O no hydrogen 2.811 N/A ASP 71.A N THR 5.A O no hydrogen 3.077 N/A ARG 83.A N TRP 80.A O no hydrogen 3.446 N/A ARG 83.A NH2 GLU 78.A O no hydrogen 2.831 N/A GLU 84.A N TRP 80.A O no hydrogen 2.903 N/A LEU 85.A N TRP 80.A O no hydrogen 2.915 N/A SER 87.A OG GLU 84.A O no hydrogen 2.541 N/A GLN 88.A N GLU 84.A O no hydrogen 3.246 N/A LEU 89.A N LEU 85.A O no hydrogen 2.899 N/A SER 90.A N PRO 86.A O no hydrogen 2.922 N/A SER 90.A OG PRO 86.A O no hydrogen 3.228 N/A SER 90.A OG SER 87.A O no hydrogen 2.865 N/A ARG 105.A N PRO 101.A O no hydrogen 3.491 N/A ALA 106.A N PHE 102.A O no hydrogen 2.916 N/A ILE 107.A N GLU 103.A O no hydrogen 2.920 N/A GLU 108.A N PHE 104.A O no hydrogen 2.913 N/A ALA 109.A N ARG 105.A O no hydrogen 2.877 N/A LEU 110.A N ALA 106.A O no hydrogen 2.961 N/A LEU 111.A N ILE 107.A O no hydrogen 2.914 N/A GLN 112.A N GLU 108.A O no hydrogen 2.878 N/A TYR 113.A N ALA 109.A O no hydrogen 2.897 N/A TRP 114.A N LEU 110.A O no hydrogen 2.982 N/A ILE 115.A N LEU 111.A O no hydrogen 2.905 N/A ASN 116.A N GLN 112.A O no hydrogen 2.866 N/A THR 117.A N TYR 113.A O no hydrogen 2.935 N/A THR 117.A OG1 TYR 113.A O no hydrogen 3.293 N/A THR 117.A OG1 TRP 114.A O no hydrogen 2.577 N/A LEU 118.A N TRP 114.A O no hydrogen 2.935 N/A GLN 119.A N ILE 115.A O no hydrogen 2.889 N/A GLY 120.A N ASN 116.A O no hydrogen 2.877 N/A LYS 121.A N THR 117.A O no hydrogen 2.922 N/A LEU 122.A N LEU 118.A O no hydrogen 2.946 N/A SER 123.A N GLN 119.A O no hydrogen 2.864 N/A SER 123.A OG GLN 119.A O no hydrogen 3.418 N/A SER 123.A OG GLY 120.A O no hydrogen 3.268 N/A ILE 124.A N GLY 120.A O no hydrogen 2.915 N/A LEU 125.A N LYS 121.A O no hydrogen 2.922 N/A GLN 126.A N LEU 122.A O no hydrogen 2.913 N/A ILE 129.A N LEU 125.A O no hydrogen 3.041 N/A LEU 130.A N GLN 126.A O no hydrogen 2.919 N/A GLU 131.A N PRO 127.A O no hydrogen 2.893 N/A THR 132.A N LEU 128.A O no hydrogen 2.907 N/A THR 132.A OG1 LEU 128.A O no hydrogen 3.034 N/A LEU 133.A N ILE 129.A O no hydrogen 2.909 N/A ASP 134.A N LEU 130.A O no hydrogen 2.906 N/A VAL 137.A N LEU 133.A O no hydrogen 3.355 N/A LYS 148.A N ASP 145.A O no hydrogen 3.243 N/A LEU 152.A N LYS 148.A O no hydrogen 2.907 N/A LEU 153.A N LEU 149.A O no hydrogen 2.909 N/A GLN 154.A N HIS 150.A O no hydrogen 2.922 N/A ASN 155.A N ILE 151.A O no hydrogen 2.897 N/A GLY 156.A N LEU 152.A O no hydrogen 2.882 N/A LYS 157.A N LEU 153.A O no hydrogen 2.948 N/A SER 158.A N GLN 154.A O no hydrogen 2.920 N/A SER 158.A OG GLN 154.A O no hydrogen 3.143 N/A LEU 159.A N ASN 155.A O no hydrogen 2.861 N/A SER 160.A N GLY 156.A O no hydrogen 2.917 N/A SER 160.A OG LYS 157.A O no hydrogen 2.859 N/A GLU 161.A N LYS 157.A O no hydrogen 2.971 N/A LEU 162.A N SER 158.A O no hydrogen 2.884 N/A GLU 163.A N LEU 159.A O no hydrogen 2.865 N/A THR 164.A N SER 160.A O no hydrogen 2.957 N/A THR 164.A OG1 SER 160.A O no hydrogen 3.168 N/A ASP 165.A N GLU 161.A O no hydrogen 2.927 N/A ILE 166.A N LEU 162.A O no hydrogen 2.922 N/A LYS 167.A N GLU 163.A O no hydrogen 2.892 N/A ILE 168.A N THR 164.A O no hydrogen 2.929 N/A PHE 169.A N ASP 165.A O no hydrogen 2.942 N/A LYS 170.A N ILE 166.A O no hydrogen 2.905 N/A LYS 170.A NZ SER 225.A OG no hydrogen 3.057 N/A GLU 171.A N LYS 167.A O no hydrogen 2.908 N/A SER 172.A N ILE 168.A O no hydrogen 2.894 N/A SER 172.A OG MET 42.A O no hydrogen 3.433 N/A SER 172.A OG ILE 168.A O no hydrogen 3.151 N/A ILE 173.A N PHE 169.A O no hydrogen 2.998 N/A LEU 174.A N LYS 170.A O no hydrogen 2.866 N/A GLU 175.A N GLU 171.A O no hydrogen 2.911 N/A LEU 177.A N ILE 173.A O no hydrogen 2.942 N/A ASP 178.A N LEU 174.A O no hydrogen 2.892 N/A LEU 183.A N GLU 179.A O no hydrogen 3.313 N/A GLU 184.A N GLU 180.A O no hydrogen 2.891 N/A GLU 185.A N GLU 181.A O no hydrogen 2.913 N/A LEU 186.A N LEU 183.A O no hydrogen 3.156 N/A CYS 187.A N GLU 184.A O no hydrogen 3.144 N/A CYS 187.A SG GLU 184.A OE2 no hydrogen 3.309 N/A CYS 187.A SG ASP 205.A OD1 no hydrogen 3.903 N/A VAL 188.A N LEU 186.A O no hydrogen 2.738 N/A SER 189.A OG GLU 103.A OE1 no hydrogen 2.408 N/A SER 189.A OG GLU 103.A OE2 no hydrogen 3.336 N/A LYS 190.A N CYS 187.A O no hydrogen 3.222 N/A TRP 191.A N CYS 187.A O no hydrogen 3.482 N/A TRP 191.A NE1 GLU 184.A O no hydrogen 3.121 N/A SER 192.A N VAL 188.A O no hydrogen 2.910 N/A SER 192.A OG ASN 49.A OD1 no hydrogen 2.452 N/A ASP 193.A N SER 189.A O no hydrogen 2.948 N/A GLN 195.A N GLN 195.A OE1 no hydrogen 2.871 N/A SER 200.A N VAL 196.A O no hydrogen 2.850 N/A HIS 206.A NE2 GLY 203.A O no hydrogen 3.080 N/A GLU 211.A N ALA 207.A O no hydrogen 2.902 N/A LEU 212.A N GLU 208.A O no hydrogen 2.917 N/A LEU 213.A N GLU 209.A O no hydrogen 2.910 N/A LEU 214.A N MET 210.A O no hydrogen 2.934 N/A GLU 215.A N GLU 211.A O no hydrogen 2.889 N/A ASN 216.A N LEU 212.A O no hydrogen 2.872 N/A TYR 217.A N LEU 213.A O no hydrogen 3.023 N/A TYR 218.A N LEU 214.A O no hydrogen 2.867 N/A ARG 219.A N GLU 215.A O no hydrogen 2.872 N/A LEU 220.A N ASN 216.A O no hydrogen 2.943 N/A ALA 221.A N TYR 217.A O no hydrogen 2.946 N/A ASP 222.A N TYR 218.A O no hydrogen 2.850 N/A ASP 223.A N ARG 219.A O no hydrogen 2.899 N/A LEU 224.A N LEU 220.A O no hydrogen 2.991 N/A SER 225.A N ALA 221.A O no hydrogen 2.871 N/A SER 225.A OG ALA 221.A O no hydrogen 3.079 N/A ASN 226.A N ASP 222.A O no hydrogen 2.905 N/A ALA 227.A N ASP 223.A O no hydrogen 2.967 N/A ALA 228.A N LEU 224.A O no hydrogen 2.919 N/A ARG 229.A N SER 225.A O no hydrogen 2.890 N/A GLU 230.A N ASN 226.A O no hydrogen 2.920 N/A LEU 231.A N ALA 227.A O no hydrogen 2.936 N/A ARG 232.A N ALA 228.A O no hydrogen 2.920 N/A ARG 232.A NE GLU 163.A OE2 no hydrogen 3.290 N/A VAL 233.A N ARG 229.A O no hydrogen 2.917 N/A LEU 234.A N GLU 230.A O no hydrogen 2.883 N/A ILE 235.A N LEU 231.A O no hydrogen 2.903 N/A ASP 236.A N ARG 232.A O no hydrogen 2.971 N/A ASP 237.A N VAL 233.A O no hydrogen 2.903 N/A SER 238.A N LEU 234.A O no hydrogen 2.871 N/A SER 238.A OG LEU 234.A O no hydrogen 3.066 N/A GLN 239.A N ILE 235.A O no hydrogen 2.923 N/A SER 240.A N ASP 236.A O no hydrogen 2.948 N/A ILE 241.A N ASP 237.A O no hydrogen 2.917 N/A ILE 242.A N SER 238.A O no hydrogen 2.882 N/A PHE 243.A N GLN 239.A O no hydrogen 2.944 N/A ILE 244.A N SER 240.A O no hydrogen 3.366 N/A ASN 245.A N ILE 241.A O no hydrogen 2.897 N/A LEU 246.A N ILE 242.A O no hydrogen 2.931 N/A SER 248.A N ILE 244.A O no hydrogen 2.899 N/A SER 248.A OG ILE 244.A O no hydrogen 3.311 N/A HIS 249.A N ASN 245.A O no hydrogen 3.342 N/A ARG 250.A NH1 ASN 251.A OD1 no hydrogen 3.210 N/A ASN 251.A N ASP 247.A O no hydrogen 3.375 N/A MET 253.A N HIS 249.A O no hydrogen 3.520 N/A MET 254.A N ARG 250.A O no hydrogen 2.892 N/A ARG 255.A N ASN 251.A O no hydrogen 2.896 N/A LEU 256.A N VAL 252.A O no hydrogen 2.963 N/A ASN 257.A N MET 253.A O no hydrogen 2.866 N/A LEU 258.A N MET 254.A O no hydrogen 2.881 N/A GLN 259.A N ARG 255.A O no hydrogen 2.916 N/A LEU 260.A N LEU 256.A O no hydrogen 2.956 N/A THR 261.A N ASN 257.A O no hydrogen 2.850 N/A THR 261.A OG1 ASN 257.A O no hydrogen 2.911 N/A MET 262.A N LEU 258.A O no hydrogen 2.920 N/A GLY 263.A N GLN 259.A O no hydrogen 2.959 N/A THR 264.A N LEU 260.A O no hydrogen 2.908 N/A PHE 265.A N THR 261.A O no hydrogen 2.866 N/A SER 266.A N MET 262.A O no hydrogen 2.947 N/A SER 266.A OG MET 262.A O no hydrogen 3.068 N/A SER 266.A OG GLY 263.A O no hydrogen 2.506 N/A LEU 267.A N GLY 263.A O no hydrogen 2.944 N/A SER 268.A N THR 264.A O no hydrogen 2.891 N/A SER 268.A OG THR 264.A O no hydrogen 2.986 N/A LEU 269.A N PHE 265.A O no hydrogen 2.870 N/A PHE 270.A N SER 266.A O no hydrogen 2.975 N/A GLY 271.A N LEU 267.A O no hydrogen 2.866 N/A LEU 272.A N SER 268.A O no hydrogen 2.914 N/A VAL 275.A N GLY 271.A O no hydrogen 2.907 N/A ALA 276.A N LEU 272.A O no hydrogen 2.885 N/A PHE 277.A N MET 273.A O no hydrogen 2.908 N/A GLY 278.A N VAL 275.A O no hydrogen 3.051 N/A SER 284.A OG SER 284.A O no hydrogen 2.578 N/A ASP 288.A N LEU 285.A O no hydrogen 3.381 N/A LEU 294.A N ARG 290.A O no hydrogen 3.118 N/A ILE 295.A N ILE 291.A O no hydrogen 2.894 N/A THR 296.A N PHE 292.A O no hydrogen 2.924 N/A THR 296.A OG1 PHE 292.A O no hydrogen 2.922 N/A GLY 297.A N TRP 293.A O no hydrogen 2.900 N/A ILE 298.A N LEU 294.A O no hydrogen 2.898 N/A MET 299.A N ILE 295.A O no hydrogen 2.879 N/A PHE 300.A N THR 296.A O no hydrogen 2.945 N/A MET 301.A N GLY 297.A O no hydrogen 2.919 N/A GLY 302.A N ILE 298.A O no hydrogen 2.858 N/A SER 303.A N MET 299.A O no hydrogen 2.945 N/A SER 303.A OG MET 299.A O no hydrogen 2.749 N/A LEU 305.A N MET 301.A O no hydrogen 2.944 N/A ILE 306.A N GLY 302.A O no hydrogen 2.868 N/A TRP 307.A N SER 303.A O no hydrogen 2.919 N/A TRP 307.A NE1 GLN 259.A O no hydrogen 3.081 N/A ARG 308.A N GLY 304.A O no hydrogen 2.899 N/A ARG 309.A N LEU 305.A O no hydrogen 2.924 N/A LEU 310.A N ILE 306.A O no hydrogen 2.887 N/A LEU 311.A N TRP 307.A O no hydrogen 2.856 N/A SER 312.A N ARG 308.A O no hydrogen 2.947 N/A SER 312.A OG ARG 308.A O no hydrogen 3.058 N/A PHE 313.A N LEU 310.A O no hydrogen 2.903 N/A ARG 316.A N SER 312.A O no hydrogen 2.925 N/A ARG 316.A N PHE 313.A O no hydrogen 3.186 N/A GLN 317.A N PHE 313.A O no hydrogen 2.840 N/A