Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7cms_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASP 139.A OD2 no hydrogen 2.722 N/A ILE 4.A N ASN 34.A O no hydrogen 2.918 N/A PHE 5.A N ILE 140.A O no hydrogen 3.219 N/A SER 6.A N TYR 36.A O no hydrogen 2.818 N/A ILE 8.A N CYS 38.A O no hydrogen 2.657 N/A ILE 16.A N ILE 204.A O no hydrogen 2.870 N/A ASN 18.A N THR 15.A OG1 no hydrogen 2.984 N/A TYR 19.A N THR 15.A O no hydrogen 2.933 N/A ILE 20.A N ILE 16.A O no hydrogen 2.760 N/A GLY 21.A N GLY 17.A O no hydrogen 2.860 N/A ALA 22.A N ASN 18.A O no hydrogen 2.994 N/A ARG 24.A N TYR 19.A O no hydrogen 2.871 N/A ARG 24.A NH2 THR 247.A O no hydrogen 2.974 N/A GLN 25.A N GLN 25.A OE1 no hydrogen 2.805 N/A GLN 25.A NE2 GLY 21.A O no hydrogen 3.186 N/A GLN 25.A NE2 PRO 177.A O no hydrogen 3.219 N/A PHE 26.A N LEU 23.A O no hydrogen 2.895 N/A VAL 27.A N ARG 24.A O no hydrogen 3.047 N/A GLU 28.A N GLN 25.A O no hydrogen 3.253 N/A LEU 29.A N GLN 25.A O no hydrogen 2.914 N/A GLN 30.A N PHE 26.A O no hydrogen 2.953 N/A GLN 30.A NE2 VAL 27.A O no hydrogen 2.946 N/A GLN 30.A NE2 GLY 69.A O no hydrogen 2.790 N/A HIS 31.A N GLU 28.A O no hydrogen 3.135 N/A GLU 32.A N LEU 29.A O no hydrogen 2.941 N/A TYR 33.A N LEU 29.A O no hydrogen 2.896 N/A ASN 34.A N LYS 2.A O no hydrogen 3.029 N/A ASN 34.A ND2 THR 3.A OG1 no hydrogen 2.939 N/A CYS 35.A SG TYR 33.A O no hydrogen 3.889 N/A TYR 36.A N ILE 4.A O no hydrogen 2.728 N/A PHE 37.A N THR 76.A O no hydrogen 2.830 N/A CYS 38.A N SER 6.A O no hydrogen 2.885 N/A ILE 39.A N PHE 78.A O no hydrogen 2.934 N/A VAL 40.A N ILE 8.A O no hydrogen 2.904 N/A ASP 41.A N ILE 39.A O no hydrogen 2.935 N/A HIS 43.A N GLN 80.A OE1 no hydrogen 3.239 N/A HIS 43.A NE2 TYR 125.A O no hydrogen 3.106 N/A ALA 44.A N VAL 40.A O no hydrogen 3.190 N/A ALA 44.A N ASP 41.A O no hydrogen 3.153 N/A THR 46.A N HIS 43.A O no hydrogen 3.181 N/A THR 46.A OG1 HIS 43.A O no hydrogen 2.760 N/A GLN 49.A NE2 ALA 44.A O no hydrogen 2.735 N/A GLU 53.A N ASP 50.A OD2 no hydrogen 2.746 N/A LEU 54.A N ASP 50.A O no hydrogen 2.906 N/A ARG 55.A N PRO 51.A O no hydrogen 3.072 N/A GLN 56.A N HIS 52.A O no hydrogen 3.088 N/A ASN 57.A N GLU 53.A O no hydrogen 2.890 N/A ILE 58.A N LEU 54.A O no hydrogen 2.913 N/A ARG 59.A N ARG 55.A O no hydrogen 3.331 N/A ARG 59.A NH1 ASP 297.A OD1 no hydrogen 3.155 N/A ARG 60.A N GLN 56.A O no hydrogen 2.921 N/A LEU 61.A N ASN 57.A O no hydrogen 3.044 N/A ALA 62.A N ILE 58.A O no hydrogen 3.197 N/A ALA 63.A N ARG 59.A O no hydrogen 2.928 N/A LEU 64.A N ARG 60.A O no hydrogen 2.812 N/A TYR 65.A N LEU 61.A O no hydrogen 3.009 N/A LEU 66.A N ALA 62.A O no hydrogen 3.071 N/A ALA 67.A N ALA 63.A O no hydrogen 2.839 N/A VAL 68.A N LEU 64.A O no hydrogen 2.990 N/A GLY 69.A N LEU 66.A O no hydrogen 3.134 N/A ILE 70.A N TYR 65.A O no hydrogen 3.151 N/A ASP 71.A N GLN 30.A OE1 no hydrogen 2.671 N/A THR 73.A N ASP 71.A OD1 no hydrogen 3.304 N/A THR 73.A OG1 ASP 71.A OD1 no hydrogen 3.105 N/A GLN 74.A N ASP 71.A O no hydrogen 2.853 N/A ALA 75.A N ASP 71.A O no hydrogen 2.845 N/A THR 76.A N CYS 35.A O no hydrogen 3.009 N/A PHE 78.A N PHE 37.A O no hydrogen 3.062 N/A GLN 80.A N ILE 39.A O no hydrogen 2.946 N/A GLN 80.A NE2 HIS 43.A ND1 no hydrogen 3.208 N/A GLN 80.A NE2 ASP 132.A OD1 no hydrogen 2.780 N/A SER 81.A N ASP 41.A OD1 no hydrogen 2.918 N/A SER 81.A OG ASP 41.A OD1 no hydrogen 3.435 N/A SER 81.A OG ASP 41.A OD2 no hydrogen 2.520 N/A GLU 82.A N ILE 79.A O no hydrogen 3.023 N/A VAL 83.A N GLN 80.A O no hydrogen 3.131 N/A HIS 86.A N VAL 83.A O no hydrogen 3.099 N/A HIS 86.A ND1 ASP 132.A OD1 no hydrogen 2.586 N/A HIS 86.A NE2 TYR 136.A OH no hydrogen 2.771 N/A GLN 88.A N PRO 84.A O no hydrogen 3.026 N/A ALA 89.A N ALA 85.A O no hydrogen 2.815 N/A ALA 90.A N HIS 86.A O no hydrogen 2.938 N/A TRP 91.A N ALA 87.A O no hydrogen 3.214 N/A MET 92.A N GLN 88.A O no hydrogen 3.289 N/A LEU 93.A N ALA 89.A O no hydrogen 2.861 N/A GLN 94.A N ALA 90.A O no hydrogen 2.832 N/A GLN 94.A NE2 ALA 90.A O no hydrogen 3.621 N/A CYS 95.A N TRP 91.A O no hydrogen 3.187 N/A CYS 95.A N MET 92.A O no hydrogen 3.129 N/A CYS 95.A SG TRP 91.A O no hydrogen 3.502 N/A ILE 96.A N LEU 93.A O no hydrogen 3.033 N/A VAL 97.A N LEU 93.A O no hydrogen 3.007 N/A TYR 98.A N GLU 101.A OE1 no hydrogen 2.827 N/A LEU 102.A N TYR 98.A O no hydrogen 3.380 N/A LEU 102.A N ILE 99.A O no hydrogen 2.927 N/A GLU 103.A N ILE 99.A O no hydrogen 3.032 N/A ARG 104.A N GLY 100.A O no hydrogen 3.196 N/A MET 105.A N LEU 102.A O no hydrogen 3.132 N/A THR 106.A N GLN 149.A OE1 no hydrogen 2.721 N/A THR 106.A OG1 GLN 149.A OE1 no hydrogen 3.322 N/A LYS 109.A N MET 105.A O no hydrogen 3.103 N/A GLU 110.A N THR 106.A O no hydrogen 2.934 N/A SER 112.A N GLU 110.A O no hydrogen 2.357 N/A SER 112.A OG PHE 108.A O no hydrogen 2.855 N/A ALA 117.A N LYS 115.A O no hydrogen 2.794 N/A SER 119.A OG THR 46.A O no hydrogen 3.288 N/A LEU 122.A N SER 119.A O no hydrogen 3.029 N/A LEU 122.A N SER 119.A OG no hydrogen 3.325 N/A LEU 123.A N ALA 120.A O no hydrogen 2.921 N/A THR 124.A N ALA 120.A O no hydrogen 3.089 N/A THR 124.A OG1 ALA 120.A O no hydrogen 3.186 N/A MET 129.A N TYR 125.A O no hydrogen 3.090 N/A ALA 130.A N PRO 126.A O no hydrogen 2.702 N/A ALA 131.A N PRO 127.A O no hydrogen 2.862 N/A ASP 132.A N LEU 128.A O no hydrogen 2.920 N/A ILE 133.A N MET 129.A O no hydrogen 3.145 N/A LEU 134.A N ALA 130.A O no hydrogen 2.806 N/A LEU 135.A N ALA 131.A O no hydrogen 3.015 N/A TYR 136.A N ILE 133.A O no hydrogen 3.501 N/A TYR 136.A OH HIS 86.A NE2 no hydrogen 2.771 N/A ASN 137.A N LEU 134.A O no hydrogen 3.318 N/A ASN 137.A ND2 LEU 168.A O no hydrogen 3.346 N/A ASN 137.A ND2 THR 170.A OG1 no hydrogen 2.926 N/A THR 138.A OG1 ILE 133.A O no hydrogen 2.667 N/A ASP 139.A N THR 3.A O no hydrogen 2.889 N/A ILE 140.A N THR 3.A O no hydrogen 3.029 N/A VAL 141.A N GLU 173.A O no hydrogen 2.797 N/A VAL 143.A N VAL 141.A O no hydrogen 3.022 N/A GLN 147.A N GLY 144.A O no hydrogen 3.016 N/A GLN 147.A NE2 GLN 107.A OE1 no hydrogen 3.419 N/A GLN 147.A NE2 ASP 146.A OD2 no hydrogen 3.082 N/A LYS 148.A N GLU 145.A O no hydrogen 3.162 N/A GLN 149.A NE2 ARG 104.A O no hydrogen 3.442 N/A HIS 150.A ND1 GLN 147.A OE1 no hydrogen 2.644 N/A ILE 151.A N GLN 147.A O no hydrogen 2.974 N/A GLU 152.A N LYS 148.A O no hydrogen 2.850 N/A LEU 153.A N GLN 149.A O no hydrogen 3.113 N/A THR 154.A N HIS 150.A O no hydrogen 2.942 N/A THR 154.A OG1 HIS 150.A O no hydrogen 2.888 N/A ARG 155.A N ILE 151.A O no hydrogen 2.808 N/A ARG 155.A NH1 PRO 172.A O no hydrogen 2.794 N/A ASP 156.A N GLU 152.A O no hydrogen 2.787 N/A LEU 157.A N LEU 153.A O no hydrogen 2.758 N/A ALA 158.A N THR 154.A O no hydrogen 2.885 N/A GLU 159.A N ARG 155.A O no hydrogen 3.025 N/A ARG 160.A N ASP 156.A O no hydrogen 2.845 N/A ARG 160.A NH1 ILE 96.A O no hydrogen 2.710 N/A ARG 160.A NH1 GLU 101.A OE1 no hydrogen 2.847 N/A ARG 160.A NH2 GLU 101.A OE1 no hydrogen 3.443 N/A ARG 160.A NH2 GLU 101.A OE2 no hydrogen 2.802 N/A PHE 161.A N LEU 157.A O no hydrogen 3.027 N/A ASN 162.A N ALA 158.A O no hydrogen 2.936 N/A ASN 162.A ND2 PHE 169.A O no hydrogen 2.959 N/A LYS 163.A N GLU 159.A O no hydrogen 2.908 N/A ARG 164.A N ARG 160.A O no hydrogen 2.940 N/A TYR 165.A N PHE 161.A O no hydrogen 2.888 N/A GLY 166.A N ASN 162.A O no hydrogen 2.710 N/A LEU 168.A N ASN 162.A OD1 no hydrogen 2.807 N/A PHE 169.A N ASN 162.A OD1 no hydrogen 2.887 N/A GLU 173.A N ASP 139.A O no hydrogen 2.960 N/A ARG 175.A N VAL 141.A O no hydrogen 2.829 N/A ARG 175.A NH1 TYR 33.A OH no hydrogen 3.562 N/A LYS 178.A NZ GLU 32.A OE2 no hydrogen 3.205 N/A GLY 180.A N GLY 21.A O no hydrogen 2.943 N/A MET 184.A N ASN 240.A OD1 no hydrogen 2.923 N/A SER 185.A N LYS 191.A O no hydrogen 2.650 N/A LEU 186.A N ALA 202.A O no hydrogen 2.946 N/A VAL 187.A N SER 185.A OG no hydrogen 2.858 N/A ASP 188.A N SER 185.A OG no hydrogen 2.770 N/A THR 190.A N ASP 188.A OD1 no hydrogen 3.055 N/A THR 190.A OG1 ASP 188.A OD1 no hydrogen 2.824 N/A LYS 191.A N ASP 188.A O no hydrogen 2.931 N/A LYS 192.A NZ MET 193.A O no hydrogen 3.228 N/A MET 193.A N ILE 183.A O no hydrogen 2.972 N/A SER 196.A N SER 194.A OG no hydrogen 3.234 N/A ASP 197.A N SER 194.A O no hydrogen 3.136 N/A ASN 199.A N ASP 197.A OD1 no hydrogen 2.799 N/A LYS 201.A N ASN 199.A OD1 no hydrogen 3.035 N/A ALA 202.A N ASN 199.A O no hydrogen 2.989 N/A THR 205.A N ASP 208.A OD2 no hydrogen 3.007 N/A THR 205.A OG1 ASP 208.A OD1 no hydrogen 2.930 N/A LEU 206.A N ILE 14.A O no hydrogen 2.871 N/A LEU 207.A N THR 205.A OG1 no hydrogen 3.110 N/A ASP 208.A N THR 205.A O no hydrogen 3.218 N/A THR 212.A N ASP 209.A OD1 no hydrogen 3.086 N/A THR 212.A OG1 ASP 209.A OD1 no hydrogen 2.914 N/A ILE 213.A N ASP 209.A O no hydrogen 2.963 N/A GLU 214.A N ALA 210.A O no hydrogen 2.802 N/A LYS 215.A N LYS 211.A O no hydrogen 3.009 N/A LYS 216.A N THR 212.A O no hydrogen 2.968 N/A LYS 216.A NZ PRO 200.A O no hydrogen 3.032 N/A LYS 216.A NZ TYR 203.A O no hydrogen 2.984 N/A LYS 216.A NZ ASP 208.A OD2 no hydrogen 3.052 N/A ILE 217.A N ILE 213.A O no hydrogen 3.032 N/A LYS 218.A N GLU 214.A O no hydrogen 2.864 N/A SER 219.A N LYS 215.A O no hydrogen 3.016 N/A SER 219.A OG LYS 215.A O no hydrogen 3.372 N/A SER 219.A OG LYS 216.A O no hydrogen 3.294 N/A ALA 220.A N ILE 217.A O no hydrogen 3.021 N/A VAL 221.A N LEU 186.A O no hydrogen 2.968 N/A THR 222.A OG1 ASP 223.A O no hydrogen 3.414 N/A GLU 225.A N ASP 223.A OD1 no hydrogen 2.889 N/A THR 227.A N TYR 265.A OH no hydrogen 3.080 N/A THR 227.A OG1 GLU 225.A O no hydrogen 3.443 N/A TYR 230.A N GLU 257.A OE2 no hydrogen 2.852 N/A ASP 231.A N SER 239.A OG no hydrogen 2.908 N/A ALA 234.A N ASP 231.A OD1 no hydrogen 3.112 N/A LYS 235.A N ASP 231.A O no hydrogen 2.558 N/A LYS 235.A NZ ASP 223.A OD2 no hydrogen 2.836 N/A LYS 235.A NZ GLU 225.A OE2 no hydrogen 2.887 N/A LYS 235.A NZ THR 227.A O no hydrogen 2.923 N/A LYS 235.A NZ TYR 265.A OH no hydrogen 3.029 N/A SER 239.A N LYS 235.A O no hydrogen 2.908 N/A SER 239.A OG LYS 235.A O no hydrogen 2.567 N/A ASN 240.A N PRO 236.A O no hydrogen 2.999 N/A ASN 240.A ND2 MET 184.A O no hydrogen 2.964 N/A LEU 241.A N GLY 237.A O no hydrogen 3.030 N/A LEU 242.A N ILE 238.A O no hydrogen 2.862 N/A ASN 243.A N SER 239.A O no hydrogen 3.057 N/A ASN 243.A ND2 TYR 230.A OH no hydrogen 3.131 N/A ILE 244.A N ASN 240.A O no hydrogen 3.095 N/A TYR 245.A N LEU 241.A O no hydrogen 2.905 N/A TYR 245.A OH TYR 260.A OH no hydrogen 2.841 N/A SER 246.A N LEU 242.A O no hydrogen 2.839 N/A SER 246.A OG GLN 251.A O no hydrogen 2.567 N/A THR 247.A N ASN 243.A O no hydrogen 3.213 N/A THR 247.A OG1 ASN 243.A O no hydrogen 3.240 N/A THR 247.A OG1 ILE 244.A O no hydrogen 3.336 N/A LEU 248.A N ILE 244.A O no hydrogen 3.010 N/A SER 249.A N TYR 245.A O no hydrogen 2.879 N/A SER 249.A OG TYR 245.A O no hydrogen 3.017 N/A SER 249.A OG GLN 251.A OE1 no hydrogen 3.070 N/A GLY 250.A N SER 246.A O no hydrogen 2.930 N/A GLN 251.A N SER 249.A OG no hydrogen 3.249 N/A GLN 251.A NE2 GLU 255.A OE1 no hydrogen 2.969 N/A GLN 251.A NE2 GLN 259.A OE1 no hydrogen 2.941 N/A GLU 255.A N SER 252.A OG no hydrogen 3.136 N/A LEU 256.A N SER 252.A O no hydrogen 2.988 N/A GLU 257.A N ILE 253.A O no hydrogen 2.821 N/A ARG 258.A N GLU 254.A O no hydrogen 3.065 N/A GLN 259.A N GLU 255.A O no hydrogen 2.794 N/A TYR 260.A N LEU 256.A O no hydrogen 2.912 N/A TYR 260.A N GLU 257.A O no hydrogen 3.052 N/A TYR 260.A OH TYR 245.A OH no hydrogen 2.841 N/A TYR 260.A OH ASP 271.A OD2 no hydrogen 2.347 N/A GLU 261.A N ARG 258.A O no hydrogen 3.227 N/A LYS 263.A N TYR 260.A O no hydrogen 2.834 N/A LYS 263.A NZ GLU 261.A O no hydrogen 3.557 N/A TYR 265.A OH ASP 223.A OD1 no hydrogen 2.498 N/A TYR 265.A OH ASP 223.A OD2 no hydrogen 3.337 N/A TYR 265.A OH THR 227.A O no hydrogen 3.054 N/A LYS 269.A N TYR 265.A O no hydrogen 2.906 N/A LYS 269.A NZ LYS 218.A O no hydrogen 2.798 N/A LYS 269.A NZ ALA 220.A O no hydrogen 2.661 N/A ALA 270.A N GLY 266.A O no hydrogen 3.130 N/A ASP 271.A N VAL 267.A O no hydrogen 3.046 N/A LEU 272.A N PHE 268.A O no hydrogen 2.904 N/A ALA 273.A N LYS 269.A O no hydrogen 2.769 N/A GLN 274.A N ALA 270.A O no hydrogen 3.236 N/A GLN 274.A NE2 GLU 278.A OE2 no hydrogen 3.060 N/A VAL 275.A N ASP 271.A O no hydrogen 2.984 N/A VAL 276.A N LEU 272.A O no hydrogen 2.885 N/A ILE 277.A N ALA 273.A O no hydrogen 2.922 N/A GLU 278.A N GLN 274.A O no hydrogen 2.891 N/A THR 279.A N VAL 275.A O no hydrogen 3.031 N/A THR 279.A OG1 VAL 275.A O no hydrogen 2.954 N/A LEU 280.A N VAL 276.A O no hydrogen 2.933 N/A ARG 281.A N ILE 277.A O no hydrogen 2.901 N/A GLN 284.A N LEU 280.A O no hydrogen 2.781 N/A GLN 284.A NE2 LEU 206.A O no hydrogen 2.870 N/A GLN 284.A NE2 ASP 208.A O no hydrogen 2.782 N/A GLU 285.A N ARG 281.A O no hydrogen 3.017 N/A ARG 286.A N PRO 282.A O no hydrogen 3.095 N/A ARG 286.A NE ALA 67.A O no hydrogen 2.826 N/A ARG 286.A NH1 ALA 67.A O no hydrogen 2.793 N/A TYR 287.A N ILE 283.A O no hydrogen 2.830 N/A HIS 288.A N GLN 284.A O no hydrogen 3.030 N/A HIS 288.A ND1 GLN 284.A O no hydrogen 2.652 N/A HIS 289.A N GLU 285.A O no hydrogen 3.052 N/A TRP 290.A N ARG 286.A O no hydrogen 2.914 N/A MET 291.A N TYR 287.A O no hydrogen 2.959 N/A GLU 292.A N HIS 289.A O no hydrogen 3.349 N/A SER 293.A N TRP 290.A O no hydrogen 3.199 N/A GLU 295.A N SER 293.A OG no hydrogen 3.057 N/A ASP 297.A N GLU 294.A O no hydrogen 3.116 N/A ARG 298.A N GLU 294.A O no hydrogen 3.298 N/A ARG 298.A NE GLU 295.A OE1 no hydrogen 2.988 N/A ARG 298.A NH1 GLU 295.A OE1 no hydrogen 2.496 N/A VAL 299.A N GLU 295.A O no hydrogen 2.803 N/A LEU 300.A N LEU 296.A O no hydrogen 3.042 N/A ASP 301.A N ASP 297.A O no hydrogen 2.793 N/A GLU 302.A N ARG 298.A O no hydrogen 3.081 N/A GLY 303.A N VAL 299.A O no hydrogen 2.904 N/A ALA 304.A N LEU 300.A O no hydrogen 3.150 N/A GLU 305.A N ASP 301.A O no hydrogen 3.068 N/A LYS 306.A N GLU 302.A O no hydrogen 2.781 N/A LYS 306.A NZ PRO 72.A O no hydrogen 3.277 N/A ALA 307.A N GLY 303.A O no hydrogen 2.886 N/A ASN 308.A N ALA 304.A O no hydrogen 2.824 N/A ARG 309.A N GLU 305.A O no hydrogen 3.083 N/A ALA 311.A N ALA 307.A O no hydrogen 2.874 N/A SER 312.A N ASN 308.A O no hydrogen 2.762 N/A SER 312.A OG ASN 308.A O no hydrogen 2.695 N/A MET 314.A N VAL 310.A O no hydrogen 3.147 N/A VAL 315.A N ALA 311.A O no hydrogen 2.909 N/A ARG 316.A N SER 312.A O no hydrogen 2.978 N/A ARG 316.A NE GLU 313.A OE1 no hydrogen 3.106 N/A ARG 316.A NE GLU 313.A OE2 no hydrogen 3.254 N/A ARG 316.A NH2 GLU 313.A OE2 no hydrogen 2.585 N/A LYS 317.A N GLU 313.A O no hydrogen 3.052 N/A MET 318.A N MET 314.A O no hydrogen 2.927 N/A GLU 319.A N VAL 315.A O no hydrogen 2.883 N/A GLN 320.A N ARG 316.A O no hydrogen 2.959 N/A ALA 321.A N LYS 317.A O no hydrogen 2.976 N/A MET 322.A N MET 318.A O no hydrogen 2.864 N/A GLY 323.A N GLU 319.A O no hydrogen 2.914 N/A LEU 324.A N GLU 319.A O no hydrogen 2.931 N/A ARG 327.A NH1 LEU 324.A O no hydrogen 3.326 N/A ARG 327.A NH2 GLU 319.A O no hydrogen 3.128 N/A ARG 327.A NH2 LEU 324.A O no hydrogen 3.382 N/A