Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2gry_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N GLU 1.A O no hydrogen 3.301 N/A ILE 6.A N ILE 2.A O no hydrogen 3.138 N/A ILE 6.A N MET 3.A O no hydrogen 3.217 N/A ARG 7.A N MET 3.A O no hydrogen 2.937 N/A ASP 8.A N CYS 4.A O no hydrogen 2.699 N/A PHE 9.A N ILE 6.A O no hydrogen 3.062 N/A ARG 10.A N ILE 6.A O no hydrogen 2.992 N/A ARG 10.A NE THR 48.A OG1 no hydrogen 2.850 N/A ARG 10.A NH1 ASP 45.A O no hydrogen 3.084 N/A ARG 10.A NH1 ILE 47.A O no hydrogen 2.927 N/A ARG 10.A NH1 THR 48.A OG1 no hydrogen 3.347 N/A ARG 10.A NH2 ASP 45.A O no hydrogen 3.467 N/A GLY 11.A N ARG 7.A O no hydrogen 3.042 N/A SER 12.A N PHE 9.A O no hydrogen 3.217 N/A SER 12.A OG ASP 8.A O no hydrogen 3.408 N/A LEU 13.A N ARG 10.A O no hydrogen 2.885 N/A ARG 16.A N PRO 50.A O no hydrogen 2.625 N/A ASP 21.A N TYR 79.A OH no hydrogen 2.848 N/A ARG 24.A NE LEU 272.A O no hydrogen 3.307 N/A ARG 24.A NH2 LEU 272.A O no hydrogen 2.687 N/A CYS 26.A N THR 301.A O no hydrogen 2.866 N/A CYS 26.A SG PHE 93.A O no hydrogen 3.872 N/A VAL 27.A N ASP 78.A OD2 no hydrogen 2.951 N/A CYS 28.A N MET 303.A O no hydrogen 2.884 N/A CYS 28.A SG.B MET 303.A O no hydrogen 3.650 N/A VAL 29.A N TYR 79.A O no hydrogen 3.183 N/A ARG 30.A N ALA 305.A O no hydrogen 2.779 N/A ARG 30.A NH1 ASN 87.A OD1 no hydrogen 2.767 N/A ARG 30.A NH1 THR 123.A OG1 no hydrogen 3.027 N/A ARG 30.A NH2 ALA 85.A O no hydrogen 2.741 N/A ARG 30.A NH2 ASN 87.A OD1 no hydrogen 3.323 N/A LYS 31.A N PHE 81.A O no hydrogen 3.045 N/A LYS 31.A NZ ASP 45.A OD1 no hydrogen 3.187 N/A LYS 31.A NZ ASP 45.A OD2 no hydrogen 2.766 N/A LYS 31.A NZ ILE 47.A O no hydrogen 2.711 N/A LYS 31.A NZ ASP 83.A OD2 no hydrogen 3.487 N/A ARG 32.A N ILE 307.A O no hydrogen 3.048 N/A ARG 32.A NE GLY 117.A O no hydrogen 2.760 N/A ARG 32.A NH1 PRO 33.A O no hydrogen 2.703 N/A ARG 32.A NH1 GLU 38.A OE1 no hydrogen 3.087 N/A ARG 32.A NH2 GLU 38.A OE2 no hydrogen 3.255 N/A ASN 35.A N GLU 38.A OE1 no hydrogen 2.715 N/A LYS 37.A N ASN 35.A OD1 no hydrogen 3.074 N/A GLU 38.A N ASN 35.A OD1 no hydrogen 2.942 N/A THR 39.A N ASN 35.A O no hydrogen 2.816 N/A THR 39.A OG1 ASN 35.A O no hydrogen 3.144 N/A GLN 40.A N LYS 36.A O no hydrogen 3.409 N/A MET 41.A N LYS 37.A O no hydrogen 2.690 N/A LEU 44.A N ASP 43.A OD2 no hydrogen 2.857 N/A VAL 46.A N PRO 309.A O no hydrogen 2.788 N/A ILE 47.A N ASP 45.A OD1 no hydrogen 3.103 N/A THR 48.A N MET 56.A O no hydrogen 2.958 N/A THR 48.A OG1 HIS 58.A NE2 no hydrogen 2.740 N/A VAL 55.A N PHE 75.A O no hydrogen 2.852 N/A MET 56.A N THR 48.A O no hydrogen 2.798 N/A VAL 57.A N GLN 73.A O no hydrogen 2.704 N/A HIS 58.A N VAL 46.A O no hydrogen 2.991 N/A HIS 58.A NE2 THR 48.A OG1 no hydrogen 2.740 N/A GLU 59.A N GLU 71.A O no hydrogen 3.017 N/A LYS 61.A N TYR 69.A O no hydrogen 3.031 N/A GLN 62.A NE2 LEU 66.A O no hydrogen 3.098 N/A LYS 63.A N THR 67.A O no hydrogen 2.815 N/A LEU 66.A N LYS 63.A O no hydrogen 3.074 N/A THR 67.A N ASP 65.A OD1 no hydrogen 3.034 N/A THR 67.A OG1 ASP 65.A OD1 no hydrogen 2.645 N/A TYR 69.A N LYS 61.A O no hydrogen 3.168 N/A GLU 71.A N GLU 59.A O no hydrogen 2.772 N/A GLN 73.A N VAL 57.A O no hydrogen 2.801 N/A PHE 75.A N VAL 55.A O no hydrogen 2.709 N/A ARG 76.A NH1 ASP 53.A OD2 no hydrogen 2.566 N/A PHE 77.A N ASP 53.A O no hydrogen 3.089 N/A ASP 78.A N VAL 27.A O no hydrogen 3.059 N/A ALA 80.A N LYS 52.A O no hydrogen 2.835 N/A PHE 81.A N VAL 29.A O no hydrogen 2.791 N/A SER 84.A N ASP 82.A OD1 no hydrogen 2.744 N/A SER 84.A OG ASP 82.A OD1 no hydrogen 2.788 N/A ALA 85.A N ASP 82.A O no hydrogen 3.103 N/A ASN 87.A ND2 HIS 122.A O no hydrogen 2.873 N/A ASN 87.A ND2 LYS 128.A O no hydrogen 2.675 N/A MET 89.A N PRO 86.A O no hydrogen 3.077 N/A VAL 90.A N PRO 86.A O no hydrogen 3.400 N/A TYR 91.A N ASN 87.A O no hydrogen 2.837 N/A TYR 91.A OH ASP 137.A OD2 no hydrogen 2.240 N/A ARG 92.A N GLU 88.A O no hydrogen 3.180 N/A PHE 93.A N VAL 90.A O no hydrogen 3.295 N/A THR 94.A N TYR 91.A O no hydrogen 3.139 N/A THR 94.A OG1 VAL 90.A O no hydrogen 2.809 N/A THR 94.A OG1 TYR 91.A O no hydrogen 3.329 N/A ALA 95.A N THR 94.A OG1 no hydrogen 2.601 N/A ARG 96.A N TYR 91.A O no hydrogen 3.005 N/A LEU 98.A N ALA 95.A O no hydrogen 3.026 N/A VAL 99.A N ARG 96.A O no hydrogen 3.218 N/A GLU 104.A N GLU 100.A O no hydrogen 2.981 N/A ARG 105.A N ILE 102.A O no hydrogen 3.101 N/A ARG 105.A NH2 LEU 233.A O no hydrogen 3.527 N/A GLY 106.A N THR 101.A O no hydrogen 2.712 N/A MET 107.A N ASN 298.A O no hydrogen 3.044 N/A ALA 108.A N LYS 236.A O no hydrogen 2.929 N/A THR 109.A N ARG 300.A O no hydrogen 3.042 N/A THR 109.A OG1 THR 301.A OG1 no hydrogen 2.776 N/A CYS 110.A N SER 238.A O no hydrogen 3.125 N/A PHE 111.A N CYS 302.A O no hydrogen 2.662 N/A ALA 112.A N ILE 240.A O no hydrogen 2.788 N/A TYR 113.A N ILE 304.A O no hydrogen 2.826 N/A THR 116.A N GLU 246.A OE2 no hydrogen 2.721 N/A THR 116.A OG1 GLU 246.A OE1 no hydrogen 2.652 N/A THR 116.A OG1 GLU 246.A OE2 no hydrogen 3.372 N/A SER 118.A N GLN 115.A O no hydrogen 3.106 N/A SER 118.A OG GLN 115.A O no hydrogen 2.565 N/A SER 118.A OG THR 306.A O no hydrogen 3.380 N/A SER 118.A OG THR 306.A OG1 no hydrogen 2.839 N/A LYS 120.A NZ GLY 114.A O no hydrogen 2.836 N/A LYS 120.A NZ GLN 115.A O no hydrogen 3.031 N/A THR 121.A OG1 ASP 241.A OD2 no hydrogen 2.649 N/A THR 123.A N GLY 119.A O no hydrogen 2.999 N/A THR 123.A N LYS 120.A O no hydrogen 3.123 N/A THR 123.A OG1 GLY 119.A O no hydrogen 2.579 N/A MET 124.A N LYS 120.A O no hydrogen 2.916 N/A GLY 125.A N THR 121.A O no hydrogen 2.821 N/A GLY 126.A N THR 121.A O no hydrogen 2.759 N/A ILE 130.A N THR 123.A O no hydrogen 2.847 N/A TYR 131.A N MET 124.A O no hydrogen 2.931 N/A LEU 133.A N GLY 129.A O no hydrogen 3.115 N/A ALA 134.A N ILE 130.A O no hydrogen 2.958 N/A ALA 135.A N TYR 131.A O no hydrogen 3.010 N/A ARG 136.A N ALA 132.A O no hydrogen 2.825 N/A ARG 136.A NE ASP 137.A OD1 no hydrogen 3.513 N/A ARG 136.A NH2 ASP 137.A OD1 no hydrogen 3.528 N/A ASP 137.A N LEU 133.A O no hydrogen 3.246 N/A VAL 138.A N ALA 134.A O no hydrogen 2.895 N/A PHE 139.A N ALA 135.A O no hydrogen 3.219 N/A LEU 140.A N ARG 136.A O no hydrogen 3.147 N/A MET 141.A N ASP 137.A O no hydrogen 2.768 N/A LEU 142.A N VAL 138.A O no hydrogen 3.050 N/A LYS 143.A N LEU 140.A O no hydrogen 3.043 N/A LYS 144.A N MET 141.A O no hydrogen 2.979 N/A TYR 147.A N LYS 144.A O no hydrogen 2.911 N/A LYS 148.A N LYS 144.A O no hydrogen 2.790 N/A LEU 150.A N TYR 147.A O no hydrogen 3.083 N/A GLN 153.A N ARG 228.A O no hydrogen 2.782 N/A GLN 153.A NE2 GLU 195.A OE2 no hydrogen 2.730 N/A TYR 155.A N ILE 226.A O no hydrogen 2.826 N/A ALA 156.A N ARG 194.A O no hydrogen 2.803 N/A THR 157.A N GLN 224.A O no hydrogen 3.179 N/A THR 157.A OG1 GLN 224.A OE1 no hydrogen 2.753 N/A PHE 159.A N VAL 222.A O no hydrogen 2.938 N/A GLU 160.A N PHE 167.A O no hydrogen 2.870 N/A ILE 161.A N HIS 220.A O no hydrogen 2.747 N/A TYR 162.A N LYS 165.A O no hydrogen 2.860 N/A TYR 162.A OH GLU 254.A OE2 no hydrogen 2.434 N/A LYS 165.A N TYR 162.A O no hydrogen 3.021 N/A PHE 167.A N GLU 160.A O no hydrogen 2.969 N/A ASP 168.A N THR 174.A O no hydrogen 2.850 N/A LEU 169.A N PHE 158.A O no hydrogen 3.060 N/A LEU 170.A N ASP 168.A OD1 no hydrogen 2.931 N/A ASN 171.A N ASP 168.A O no hydrogen 3.349 N/A LYS 173.A N ASP 168.A O no hydrogen 2.664 N/A LYS 173.A NZ CYS 212.A O no hydrogen 3.337 N/A THR 174.A N ASN 171.A O no hydrogen 3.072 N/A LEU 176.A N VAL 166.A O no hydrogen 3.044 N/A LEU 179.A N GLN 187.A O no hydrogen 2.690 N/A LYS 183.A N GLU 180.A O no hydrogen 3.155 N/A GLN 187.A N LEU 179.A O no hydrogen 2.870 N/A VAL 189.A N ARG 177.A O no hydrogen 2.818 N/A LEU 191.A N VAL 188.A O no hydrogen 3.290 N/A GLN 192.A N ASP 168.A OD2 no hydrogen 2.818 N/A GLN 192.A NE2 GLY 190.A O no hydrogen 3.462 N/A ARG 194.A N ALA 156.A O no hydrogen 2.846 N/A ARG 194.A NH2 GLN 192.A OE1 no hydrogen 3.498 N/A VAL 196.A N VAL 154.A O no hydrogen 3.022 N/A LYS 197.A N ASP 201.A OD2 no hydrogen 2.800 N/A ASP 201.A N CYS 198.A O no hydrogen 2.971 N/A VAL 202.A N VAL 199.A O no hydrogen 2.930 N/A LEU 203.A N VAL 199.A O no hydrogen 2.860 N/A LYS 204.A N GLU 200.A O no hydrogen 3.272 N/A ILE 206.A N VAL 202.A O no hydrogen 2.884 N/A ASP 207.A N LEU 203.A O no hydrogen 2.961 N/A ILE 208.A N LYS 204.A O no hydrogen 3.046 N/A GLY 209.A N LEU 205.A O no hydrogen 2.894 N/A ASN 210.A N ILE 206.A O no hydrogen 2.915 N/A SER 211.A N ASP 207.A O no hydrogen 3.253 N/A SER 211.A OG ASP 207.A O no hydrogen 3.291 N/A SER 211.A OG ILE 208.A O no hydrogen 3.436 N/A CYS 212.A N ILE 208.A O no hydrogen 2.987 N/A ARG 213.A N GLY 209.A O no hydrogen 2.752 N/A ARG 213.A NH1 ASP 241.A OD2 no hydrogen 2.748 N/A ARG 213.A NH2 SER 219.A O no hydrogen 2.591 N/A THR 214.A N ASN 210.A O no hydrogen 3.064 N/A THR 214.A OG1 ASN 210.A O no hydrogen 3.116 N/A HIS 215.A NE2 GLU 160.A OE1 no hydrogen 3.099 N/A HIS 215.A NE2 GLU 160.A OE2 no hydrogen 2.561 N/A ARG 218.A N HIS 215.A O no hydrogen 2.962 N/A ARG 218.A NE GLU 254.A OE1 no hydrogen 3.188 N/A ARG 218.A NH2 THR 251.A O no hydrogen 2.991 N/A SER 219.A OG GLU 160.A OE1 no hydrogen 3.130 N/A SER 219.A OG HIS 215.A O no hydrogen 3.091 N/A HIS 220.A N ILE 161.A O no hydrogen 2.967 N/A HIS 220.A NE2 SER 261.A OG no hydrogen 2.887 N/A ALA 221.A N ASP 241.A O no hydrogen 2.886 N/A VAL 222.A N PHE 159.A O no hydrogen 2.676 N/A PHE 223.A N LEU 239.A O no hydrogen 2.809 N/A GLN 224.A N THR 157.A O no hydrogen 2.836 N/A GLN 224.A NE2 SER 238.A OG no hydrogen 2.973 N/A ILE 225.A N PHE 237.A O no hydrogen 2.774 N/A ILE 226.A N TYR 155.A O no hydrogen 2.766 N/A LEU 227.A N GLY 235.A O no hydrogen 2.893 N/A ARG 228.A N GLN 153.A O no hydrogen 2.882 N/A ARG 228.A NE GLU 193.A OE1 no hydrogen 2.715 N/A ARG 228.A NH2 GLU 193.A OE2 no hydrogen 3.058 N/A ARG 229.A N LYS 232.A O no hydrogen 2.743 N/A HIS 234.A N LEU 227.A O no hydrogen 2.807 N/A HIS 234.A NE2 PHE 103.A O no hydrogen 2.685 N/A GLY 235.A N LEU 227.A O no hydrogen 3.460 N/A LYS 236.A N GLY 106.A O no hydrogen 3.433 N/A PHE 237.A N ILE 225.A O no hydrogen 2.846 N/A SER 238.A N ALA 108.A O no hydrogen 2.904 N/A LEU 239.A N PHE 223.A O no hydrogen 2.714 N/A ILE 240.A N CYS 110.A O no hydrogen 2.701 N/A ASP 241.A N ALA 221.A O no hydrogen 2.831 N/A LEU 242.A N ALA 112.A O no hydrogen 3.099 N/A ALA 243.A N HIS 220.A ND1 no hydrogen 2.812 N/A GLY 244.A N SER 217.A O no hydrogen 3.104 N/A ASN 245.A N GLY 114.A O no hydrogen 3.241 N/A ASN 245.A ND2 TYR 113.A OH no hydrogen 2.880 N/A ASN 245.A ND2 THR 320.A OG1 no hydrogen 2.839 N/A GLU 246.A N GLU 246.A OE2 no hydrogen 3.075 N/A THR 251.A OG1 ASP 248.A OD1 no hydrogen 3.089 N/A ARG 252.A N ASP 248.A O no hydrogen 2.994 N/A LEU 253.A N ARG 249.A O no hydrogen 2.906 N/A GLU 254.A N GLN 250.A O no hydrogen 3.033 N/A GLY 255.A N THR 251.A O no hydrogen 3.136 N/A ALA 256.A N ARG 252.A O no hydrogen 2.892 N/A GLU 257.A N LEU 253.A O no hydrogen 2.930 N/A ILE 258.A N GLU 254.A O no hydrogen 2.911 N/A ASN 259.A N GLY 255.A O no hydrogen 3.031 N/A LYS 260.A N ALA 256.A O no hydrogen 2.913 N/A LYS 260.A NZ GLU 257.A OE1 no hydrogen 2.870 N/A SER 261.A N GLU 257.A O no hydrogen 3.167 N/A SER 261.A OG HIS 220.A NE2 no hydrogen 2.887 N/A SER 261.A OG GLU 257.A O no hydrogen 3.450 N/A SER 261.A OG ILE 258.A O no hydrogen 2.645 N/A LEU 262.A N ILE 258.A O no hydrogen 2.974 N/A LEU 263.A N ASN 259.A O no hydrogen 3.106 N/A ALA 264.A N LYS 260.A O no hydrogen 3.061 N/A LEU 265.A N SER 261.A O no hydrogen 2.844 N/A LYS 266.A N LEU 262.A O no hydrogen 3.266 N/A GLU 267.A N LEU 263.A O no hydrogen 3.118 N/A CYS 268.A N ALA 264.A O no hydrogen 2.778 N/A CYS 268.A SG ALA 264.A O no hydrogen 3.265 N/A ILE 269.A N LEU 265.A O no hydrogen 2.885 N/A ARG 270.A N LYS 266.A O no hydrogen 3.001 N/A ALA 271.A N GLU 267.A O no hydrogen 2.909 N/A LEU 272.A N CYS 268.A O no hydrogen 2.920 N/A GLY 273.A N ILE 269.A O no hydrogen 3.279 N/A ARG 274.A N ARG 270.A O no hydrogen 2.950 N/A ASN 275.A N ALA 271.A O no hydrogen 2.679 N/A LYS 276.A NZ GLY 296.A O no hydrogen 2.893 N/A LYS 276.A NZ GLU 297.A O no hydrogen 3.457 N/A HIS 278.A N ASN 275.A O no hydrogen 2.990 N/A THR 279.A N LYS 276.A O no hydrogen 3.103 N/A THR 279.A OG1 LYS 276.A O no hydrogen 2.546 N/A ARG 282.A NE GLU 180.A OE1 no hydrogen 2.986 N/A ARG 282.A NH2 GLU 180.A OE1 no hydrogen 3.556 N/A ARG 282.A NH2 GLU 180.A OE2 no hydrogen 3.503 N/A ALA 283.A N PRO 280.A O no hydrogen 2.929 N/A SER 284.A OG THR 287.A OG1 no hydrogen 2.809 N/A LYS 285.A NZ GLN 288.A OE1 no hydrogen 2.779 N/A THR 287.A N SER 284.A OG no hydrogen 3.202 N/A THR 287.A OG1 PHE 281.A O no hydrogen 2.835 N/A THR 287.A OG1 SER 284.A O no hydrogen 3.288 N/A THR 287.A OG1 SER 284.A OG no hydrogen 2.809 N/A GLN 288.A N SER 284.A O no hydrogen 3.014 N/A VAL 289.A N LYS 285.A O no hydrogen 3.189 N/A ARG 291.A N GLN 288.A O no hydrogen 3.045 N/A ARG 291.A NE ASP 292.A OD1 no hydrogen 3.386 N/A ARG 291.A NE ASP 292.A OD2 no hydrogen 3.078 N/A ARG 291.A NH1 LYS 183.A O no hydrogen 2.845 N/A ARG 291.A NH1 ASP 292.A OD1 no hydrogen 2.851 N/A ARG 291.A NH1 ASP 292.A OD2 no hydrogen 3.509 N/A ARG 291.A NH2 GLU 180.A OE2 no hydrogen 2.771 N/A ARG 291.A NH2 LYS 183.A O no hydrogen 3.146 N/A SER 293.A N LEU 290.A O no hydrogen 2.787 N/A PHE 294.A N ARG 291.A O no hydrogen 3.078 N/A ILE 295.A N ARG 291.A O no hydrogen 3.213 N/A GLY 296.A N ASP 292.A O no hydrogen 3.313 N/A SER 299.A OG GLY 296.A O no hydrogen 2.686 N/A ARG 300.A N MET 107.A O no hydrogen 3.082 N/A THR 301.A N ARG 24.A O no hydrogen 2.849 N/A THR 301.A OG1 THR 109.A OG1 no hydrogen 2.776 N/A CYS 302.A N THR 109.A O no hydrogen 2.871 N/A CYS 302.A SG CYS 26.A O no hydrogen 3.435 N/A MET 303.A N CYS 26.A O no hydrogen 2.773 N/A ILE 304.A N PHE 111.A O no hydrogen 2.746 N/A ALA 305.A N CYS 28.A O no hydrogen 2.823 N/A THR 306.A N TYR 113.A O no hydrogen 2.880 N/A THR 306.A OG1 TYR 113.A O no hydrogen 3.415 N/A THR 306.A OG1 SER 118.A OG no hydrogen 2.839 N/A ILE 307.A N ARG 30.A O no hydrogen 2.901 N/A MET 311.A N LEU 44.A O no hydrogen 3.023 N/A SER 313.A N GLY 310.A O no hydrogen 3.059 N/A CYS 314.A N MET 311.A O no hydrogen 3.101 N/A ASN 316.A ND2 GLN 115.A OE1 no hydrogen 3.174 N/A THR 317.A N SER 313.A O no hydrogen 2.880 N/A THR 317.A OG1 SER 308.A O no hydrogen 2.995 N/A THR 317.A OG1 SER 313.A O no hydrogen 3.450 N/A LEU 318.A N CYS 314.A O no hydrogen 2.940 N/A ASN 319.A N GLU 315.A O no hydrogen 2.945 N/A THR 320.A N ASN 316.A O no hydrogen 3.045 N/A THR 320.A OG1 ASN 316.A O no hydrogen 3.265 N/A LEU 321.A N THR 317.A O no hydrogen 2.952 N/A ARG 322.A N LEU 318.A O no hydrogen 2.840 N/A TYR 323.A N ASN 319.A O no hydrogen 3.114 N/A TYR 323.A OH LEU 262.A O no hydrogen 2.685 N/A ALA 324.A N THR 320.A O no hydrogen 2.952 N/A ASN 325.A N LEU 321.A O no hydrogen 2.742 N/A ARG 326.A N TYR 323.A O no hydrogen 3.094 N/A VAL 327.A N ALA 324.A O no hydrogen 3.430 N/A