Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1mrq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 ASP 2.A OD1 no hydrogen 3.050 N/A LYS 4.A NZ ALA 44.A O no hydrogen 2.940 N/A GLN 6.A N SER 3.A O no hydrogen 3.022 N/A GLN 6.A NE2 CYS 7.A O no hydrogen 3.248 N/A CYS 7.A SG TYR 5.A O no hydrogen 3.325 N/A VAL 8.A N MET 16.A O no hydrogen 2.778 N/A LEU 10.A N HIS 14.A O no hydrogen 2.739 N/A GLY 13.A N LEU 10.A O no hydrogen 2.980 N/A HIS 14.A N ASP 12.A OD1 no hydrogen 3.026 N/A MET 16.A N VAL 8.A O no hydrogen 2.887 N/A VAL 18.A N GLN 6.A O no hydrogen 2.996 N/A GLY 20.A N VAL 267.A O no hydrogen 2.851 N/A PHE 21.A N HIS 48.A O no hydrogen 2.725 N/A GLY 22.A N ALA 269.A O no hydrogen 3.013 N/A THR 23.A N ASP 50.A O no hydrogen 3.253 N/A THR 23.A OG1 ASP 50.A O no hydrogen 2.672 N/A TYR 24.A OH GLU 224.A OE1 no hydrogen 2.573 N/A ALA 27.A N GLU 224.A OE2 no hydrogen 2.934 N/A VAL 29.A N PRO 26.A O no hydrogen 2.942 N/A LYS 33.A N PRO 30.A O no hydrogen 3.127 N/A LEU 35.A N SER 32.A O no hydrogen 3.348 N/A ALA 37.A N LYS 33.A O no hydrogen 3.191 N/A THR 38.A N ALA 34.A O no hydrogen 3.056 N/A THR 38.A OG1 ALA 34.A O no hydrogen 2.831 N/A LYS 39.A N LEU 35.A O no hydrogen 3.127 N/A LEU 40.A N GLU 36.A O no hydrogen 2.923 N/A ALA 41.A N ALA 37.A O no hydrogen 2.836 N/A ILE 42.A N THR 38.A O no hydrogen 3.062 N/A GLU 43.A N LYS 39.A O no hydrogen 2.974 N/A ALA 44.A N LEU 40.A O no hydrogen 2.887 N/A GLY 45.A N ILE 42.A O no hydrogen 3.122 N/A PHE 46.A N ALA 41.A O no hydrogen 2.929 N/A ARG 47.A NH2 ILE 42.A O no hydrogen 2.839 N/A ARG 47.A NH2 PHE 46.A O no hydrogen 2.834 N/A HIS 48.A ND1 PRO 17.A O no hydrogen 2.933 N/A ILE 49.A N PHE 80.A O no hydrogen 2.834 N/A ASP 50.A N PHE 21.A O no hydrogen 2.814 N/A SER 51.A N THR 82.A O no hydrogen 2.954 N/A SER 51.A OG THR 23.A OG1 no hydrogen 3.238 N/A SER 51.A OG ASN 57.A OD1 no hydrogen 2.527 N/A HIS 53.A N LYS 84.A O no hydrogen 3.521 N/A TYR 55.A N ALA 52.A O no hydrogen 3.263 N/A TYR 55.A OH HIS 117.A NE2 no hydrogen 3.330 N/A ASN 56.A N HIS 53.A O no hydrogen 3.246 N/A ASN 57.A ND2 THR 23.A O no hydrogen 3.030 N/A ASN 57.A ND2 THR 23.A OG1 no hydrogen 3.070 N/A VAL 61.A N ASN 57.A O no hydrogen 2.872 N/A GLY 62.A N GLU 58.A O no hydrogen 2.811 N/A LEU 63.A N GLU 59.A O no hydrogen 3.043 N/A ALA 64.A N GLN 60.A O no hydrogen 3.002 N/A ILE 65.A N VAL 61.A O no hydrogen 2.983 N/A ARG 66.A N GLY 62.A O no hydrogen 2.950 N/A ARG 66.A NE LEU 106.A O no hydrogen 2.885 N/A SER 67.A N LEU 63.A O no hydrogen 2.949 N/A LYS 68.A N ALA 64.A O no hydrogen 3.124 N/A LYS 68.A NZ GLU 43.A OE1 no hydrogen 3.144 N/A ILE 69.A N ILE 65.A O no hydrogen 3.027 N/A ALA 70.A N ARG 66.A O no hydrogen 2.864 N/A ASP 71.A N SER 67.A O no hydrogen 3.136 N/A GLY 72.A N ILE 69.A O no hydrogen 3.188 N/A SER 73.A N ASP 71.A OD1 no hydrogen 3.128 N/A SER 73.A OG ASP 71.A OD1 no hydrogen 2.682 N/A VAL 74.A N LYS 68.A O no hydrogen 3.267 N/A ARG 76.A NH1 ARG 76.A O no hydrogen 2.980 N/A ARG 76.A NH1 ILE 79.A O no hydrogen 3.012 N/A ARG 76.A NH1 ASP 112.A OD1 no hydrogen 2.903 N/A ARG 76.A NH2 TYR 110.A O no hydrogen 3.012 N/A ARG 76.A NH2 ASP 112.A OD1 no hydrogen 2.902 N/A ASP 78.A N LYS 75.A O no hydrogen 3.011 N/A ILE 79.A N ARG 76.A O no hydrogen 3.061 N/A PHE 80.A N ARG 47.A O no hydrogen 2.915 N/A TYR 81.A N ASP 112.A OD1 no hydrogen 2.845 N/A TYR 81.A OH GLU 58.A OE2 no hydrogen 2.701 N/A THR 82.A N ILE 49.A O no hydrogen 2.954 N/A SER 83.A N LEU 113.A O no hydrogen 2.927 N/A SER 83.A OG GLU 58.A OE2 no hydrogen 2.683 N/A LYS 84.A NZ ASP 50.A OD1 no hydrogen 2.801 N/A LYS 84.A NZ ASP 50.A OD2 no hydrogen 3.346 N/A LYS 84.A NZ SER 51.A O no hydrogen 2.873 N/A LYS 84.A NZ TYR 55.A OH no hydrogen 2.809 N/A LEU 85.A N LEU 115.A O no hydrogen 2.720 N/A TRP 86.A NE1 VAL 128.A O no hydrogen 2.721 N/A CYS 87.A SG PHE 118.A O no hydrogen 3.545 N/A CYS 87.A SG VAL 120.A O no hydrogen 3.081 N/A ASN 88.A ND2 GLY 125.A O no hydrogen 2.763 N/A SER 89.A N TRP 86.A O no hydrogen 3.010 N/A HIS 90.A ND1 SER 121.A OG no hydrogen 2.742 N/A ARG 91.A NE ASP 140.A OD2 no hydrogen 2.812 N/A ARG 91.A NH2 ASP 140.A OD1 no hydrogen 3.041 N/A ARG 91.A NH2 ASP 140.A OD2 no hydrogen 3.348 N/A GLU 93.A N GLU 93.A OE1 no hydrogen 2.745 N/A LEU 94.A N ARG 91.A O no hydrogen 2.766 N/A VAL 95.A N PRO 92.A O no hydrogen 3.202 N/A ARG 96.A NE GLU 100.A OE2 no hydrogen 3.042 N/A ALA 98.A N LEU 94.A O no hydrogen 3.218 N/A LEU 99.A N VAL 95.A O no hydrogen 3.082 N/A GLU 100.A N ARG 96.A O no hydrogen 2.835 N/A ARG 101.A N PRO 97.A O no hydrogen 2.864 N/A ARG 101.A NH2 GLU 126.A OE2 no hydrogen 2.993 N/A SER 102.A N ALA 98.A O no hydrogen 3.051 N/A SER 102.A OG GLU 58.A OE1 no hydrogen 2.700 N/A LEU 103.A N LEU 99.A O no hydrogen 2.895 N/A LYS 104.A N GLU 100.A O no hydrogen 2.837 N/A ASN 105.A N ARG 101.A O no hydrogen 3.013 N/A LEU 106.A N SER 102.A O no hydrogen 2.912 N/A GLN 107.A N LYS 104.A O no hydrogen 3.280 N/A GLN 107.A NE2 LYS 104.A O no hydrogen 2.821 N/A LEU 108.A N LEU 103.A O no hydrogen 3.222 N/A VAL 111.A N LEU 159.A O no hydrogen 2.946 N/A ASP 112.A N TYR 81.A O no hydrogen 2.816 N/A LEU 113.A N TYR 81.A O no hydrogen 3.129 N/A TYR 114.A N SER 162.A O no hydrogen 3.042 N/A LEU 115.A N SER 83.A O no hydrogen 3.076 N/A ILE 116.A N GLY 164.A O no hydrogen 3.061 N/A HIS 117.A N LEU 85.A O no hydrogen 3.095 N/A SER 121.A OG HIS 90.A ND1 no hydrogen 2.742 N/A VAL 122.A N CYS 87.A O no hydrogen 3.015 N/A LYS 123.A N LEU 138.A O no hydrogen 2.995 N/A LYS 123.A NZ ASP 140.A OD1 no hydrogen 2.851 N/A ILE 129.A N GLU 127.A OE2 no hydrogen 3.222 N/A ASP 132.A N LYS 136.A O no hydrogen 3.094 N/A GLY 135.A N ASP 132.A O no hydrogen 3.115 N/A LYS 136.A N ASP 132.A OD1 no hydrogen 2.869 N/A LEU 138.A N PRO 130.A O no hydrogen 2.846 N/A ASP 140.A N SER 121.A O no hydrogen 3.047 N/A CYS 145.A N ASP 143.A OD1 no hydrogen 3.027 N/A CYS 145.A SG MET 175.A O no hydrogen 3.514 N/A THR 147.A N ASP 143.A O no hydrogen 3.124 N/A THR 147.A OG1 HIS 90.A O no hydrogen 2.690 N/A THR 147.A OG1 ASP 143.A O no hydrogen 3.527 N/A TRP 148.A N LEU 144.A O no hydrogen 2.881 N/A TRP 148.A NE1 TYR 184.A O no hydrogen 2.890 N/A GLU 149.A N CYS 145.A O no hydrogen 3.028 N/A ALA 150.A N ALA 146.A O no hydrogen 3.178 N/A VAL 151.A N THR 147.A O no hydrogen 2.941 N/A GLU 152.A N TRP 148.A O no hydrogen 2.752 N/A LYS 153.A N GLU 149.A O no hydrogen 3.135 N/A CYS 154.A N ALA 150.A O no hydrogen 3.365 N/A CYS 154.A N VAL 151.A O no hydrogen 2.973 N/A CYS 154.A SG ALA 150.A O no hydrogen 3.606 N/A LYS 155.A N VAL 151.A O no hydrogen 3.349 N/A LYS 155.A NZ ASP 12.A OD2 no hydrogen 3.204 N/A LYS 155.A NZ LYS 161.A O no hydrogen 2.762 N/A ASP 156.A N GLU 152.A O no hydrogen 3.047 N/A ALA 157.A N LYS 153.A O no hydrogen 2.932 N/A GLY 158.A N LYS 155.A O no hydrogen 3.051 N/A LEU 159.A N CYS 154.A O no hydrogen 3.023 N/A ALA 160.A N CYS 154.A O no hydrogen 3.403 N/A LYS 161.A N VAL 111.A O no hydrogen 2.937 N/A SER 162.A N ASP 112.A O no hydrogen 2.882 N/A SER 162.A OG ASP 12.A OD1 no hydrogen 3.428 N/A SER 162.A OG ASP 12.A OD2 no hydrogen 2.595 N/A GLY 164.A N TYR 114.A O no hydrogen 2.992 N/A VAL 165.A N CYS 188.A O no hydrogen 3.057 N/A SER 166.A OG HIS 117.A O no hydrogen 3.518 N/A SER 166.A OG GLN 190.A O no hydrogen 2.720 N/A ASN 167.A N GLN 190.A O no hydrogen 2.903 N/A ASN 167.A ND2 HIS 117.A O no hydrogen 2.929 N/A PHE 168.A N ASN 189.A OD1 no hydrogen 3.298 N/A ASN 169.A N GLN 172.A OE1 no hydrogen 2.956 N/A ASN 169.A ND2 PRO 318.A O no hydrogen 3.010 N/A ARG 170.A N TYR 323.A O no hydrogen 2.912 N/A ARG 170.A NE GLU 174.A OE1 no hydrogen 2.874 N/A ARG 170.A NH1 GLU 174.A OE1 no hydrogen 3.242 N/A ARG 170.A NH2 TYR 323.A OH no hydrogen 2.781 N/A GLN 172.A N ASN 169.A OD1 no hydrogen 2.863 N/A GLN 172.A NE2 ASN 316.A O no hydrogen 2.810 N/A LEU 173.A N ASN 169.A O no hydrogen 2.971 N/A GLU 174.A N ARG 170.A O no hydrogen 2.899 N/A MET 175.A N ARG 171.A O no hydrogen 2.929 N/A ILE 176.A N GLN 172.A O no hydrogen 3.270 N/A LEU 177.A N LEU 173.A O no hydrogen 2.866 N/A ASN 178.A N GLU 174.A O no hydrogen 2.777 N/A LYS 179.A N ILE 176.A O no hydrogen 3.121 N/A LYS 179.A NZ GLU 149.A OE2 no hydrogen 2.811 N/A LYS 179.A NZ PRO 180.A O no hydrogen 2.863 N/A LEU 182.A N LYS 179.A O no hydrogen 3.226 N/A LYS 183.A N GLU 152.A OE2 no hydrogen 2.859 N/A LYS 183.A NZ ASP 156.A OD1 no hydrogen 3.195 N/A LYS 183.A NZ ASP 156.A OD2 no hydrogen 3.017 N/A TYR 184.A N GLU 152.A OE2 no hydrogen 2.891 N/A TYR 184.A OH ASP 156.A OD1 no hydrogen 2.646 N/A LYS 185.A NZ LYS 209.A O no hydrogen 2.827 N/A VAL 187.A N ILE 163.A O no hydrogen 2.866 N/A ASN 189.A N VAL 212.A O no hydrogen 2.885 N/A ASN 189.A ND2 PHE 168.A O no hydrogen 2.836 N/A GLN 190.A N VAL 165.A O no hydrogen 2.963 N/A GLN 190.A NE2 ASP 50.A OD2 no hydrogen 2.908 N/A VAL 191.A N VAL 214.A O no hydrogen 2.865 N/A CYS 193.A N TYR 216.A O no hydrogen 3.092 N/A CYS 193.A SG PHE 197.A O no hydrogen 3.855 N/A CYS 193.A SG ASN 198.A O no hydrogen 3.276 N/A CYS 193.A SG GLN 260.A OE1 no hydrogen 3.806 N/A HIS 194.A N PHE 197.A O no hydrogen 3.231 N/A HIS 194.A NE2 GLU 192.A OE2 no hydrogen 2.716 N/A TYR 196.A N HIS 194.A ND1 no hydrogen 3.122 N/A TYR 196.A OH ASP 238.A OD2 no hydrogen 2.564 N/A PHE 197.A N HIS 194.A O no hydrogen 2.929 N/A ASN 198.A N ASN 300.A OD1 no hydrogen 2.960 N/A GLN 199.A NE2 GLU 192.A O no hydrogen 2.844 N/A ARG 200.A N ASN 198.A OD1 no hydrogen 3.106 N/A ARG 200.A NH1 ASP 204.A OD1 no hydrogen 2.950 N/A LYS 201.A NZ GLU 322.A OE2 no hydrogen 2.708 N/A LEU 203.A N GLN 199.A O no hydrogen 2.792 N/A ASP 204.A N ARG 200.A O no hydrogen 2.962 N/A PHE 205.A N LYS 201.A O no hydrogen 2.991 N/A CYS 206.A N LEU 202.A O no hydrogen 2.831 N/A CYS 206.A SG LEU 202.A O no hydrogen 3.406 N/A LYS 207.A N LEU 203.A O no hydrogen 2.961 N/A SER 208.A N ASP 204.A O no hydrogen 2.993 N/A SER 208.A OG PHE 205.A O no hydrogen 2.662 N/A LYS 209.A N CYS 206.A O no hydrogen 2.967 N/A ASP 210.A N LYS 207.A O no hydrogen 3.224 N/A ILE 211.A N CYS 206.A O no hydrogen 2.863 N/A VAL 212.A N VAL 187.A O no hydrogen 2.997 N/A VAL 214.A N ASN 189.A O no hydrogen 3.129 N/A ALA 215.A N VAL 266.A O no hydrogen 2.724 N/A TYR 216.A N VAL 191.A O no hydrogen 2.886 N/A TYR 216.A OH ASN 167.A OD1 no hydrogen 2.661 N/A GLY 220.A N SER 217.A O no hydrogen 3.009 N/A SER 221.A OG GLY 220.A O no hydrogen 2.667 N/A ARG 223.A N SER 221.A OG no hydrogen 2.965 N/A ARG 223.A NH1 SER 232.A O no hydrogen 3.530 N/A ARG 223.A NH1 SER 232.A OG no hydrogen 3.045 N/A ARG 223.A NH1 PRO 233.A O no hydrogen 3.280 N/A ARG 223.A NH2 SER 232.A O no hydrogen 2.887 N/A GLU 224.A N HIS 222.A ND1 no hydrogen 2.972 N/A VAL 228.A N GLU 224.A O no hydrogen 2.963 N/A ASN 231.A N ASP 229.A OD1 no hydrogen 2.964 N/A SER 232.A N ASP 229.A O no hydrogen 3.099 N/A SER 232.A OG ASP 229.A O no hydrogen 2.720 N/A GLU 237.A N VAL 234.A O no hydrogen 3.040 N/A ASP 238.A N LEU 235.A O no hydrogen 2.994 N/A VAL 240.A N ASP 238.A OD1 no hydrogen 2.945 N/A LEU 241.A N ASP 238.A OD1 no hydrogen 3.053 N/A CYS 242.A N ASP 238.A O no hydrogen 2.966 N/A CYS 242.A SG.A LEU 236.A O no hydrogen 3.792 N/A CYS 242.A SG.A ASP 238.A O no hydrogen 3.127 N/A ALA 243.A N PRO 239.A O no hydrogen 2.943 N/A LEU 244.A N VAL 240.A O no hydrogen 2.899 N/A ALA 245.A N LEU 241.A O no hydrogen 2.903 N/A LYS 246.A N CYS 242.A O no hydrogen 3.008 N/A LYS 247.A N ALA 243.A O no hydrogen 3.057 N/A LYS 247.A NZ GLU 292.A OE2 no hydrogen 2.986 N/A HIS 248.A N LEU 244.A O no hydrogen 3.024 N/A HIS 248.A NE2 GLU 292.A OE1 no hydrogen 2.754 N/A HIS 248.A NE2 GLU 292.A OE2 no hydrogen 3.185 N/A LYS 249.A N LYS 246.A O no hydrogen 3.284 N/A ARG 250.A N ALA 245.A O no hydrogen 2.803 N/A ARG 250.A NH1 GLU 285.A OE1 no hydrogen 2.909 N/A THR 251.A OG1 GLN 279.A OE1 no hydrogen 2.632 N/A LEU 254.A N THR 251.A OG1 no hydrogen 3.199 N/A ILE 255.A N THR 251.A O no hydrogen 3.042 N/A ALA 256.A N PRO 252.A O no hydrogen 2.973 N/A LEU 257.A N ALA 253.A O no hydrogen 2.964 N/A ARG 258.A N LEU 254.A O no hydrogen 2.930 N/A ARG 258.A NE GLN 262.A OE1 no hydrogen 2.816 N/A ARG 258.A NH1 GLN 1.A O no hydrogen 2.916 N/A ARG 258.A NH1 VAL 283.A O no hydrogen 3.061 N/A ARG 258.A NH2 GLN 1.A O no hydrogen 3.497 N/A TYR 259.A N ILE 255.A O no hydrogen 2.967 N/A TYR 259.A OH ASP 297.A OD1 no hydrogen 2.710 N/A LEU 261.A N LEU 257.A O no hydrogen 3.204 N/A GLN 262.A N ARG 258.A O no hydrogen 3.009 N/A GLN 262.A NE2 LEU 288.A O no hydrogen 2.965 N/A ARG 263.A N GLN 260.A O no hydrogen 3.109 N/A ARG 263.A NH1 ASN 198.A O no hydrogen 2.945 N/A ARG 263.A NH1 GLN 260.A OE1 no hydrogen 3.053 N/A ARG 263.A NH2 ASN 198.A O no hydrogen 2.939 N/A VAL 265.A N GLN 260.A O no hydrogen 3.051 N/A VAL 266.A N LEU 213.A O no hydrogen 3.111 N/A VAL 267.A N VAL 18.A O no hydrogen 2.936 N/A LEU 268.A N ALA 215.A O no hydrogen 3.012 N/A ALA 269.A N GLY 20.A O no hydrogen 2.877 N/A SER 271.A OG ASN 273.A O no hydrogen 3.430 N/A TYR 272.A OH THR 23.A O no hydrogen 2.594 N/A ASN 273.A N SER 271.A OG no hydrogen 3.061 N/A GLN 275.A NE2 GLU 274.A OE1 no hydrogen 3.431 N/A ARG 276.A N ASN 273.A OD1 no hydrogen 2.952 N/A ILE 277.A N ASN 273.A O no hydrogen 2.797 N/A ARG 278.A N GLU 274.A O no hydrogen 3.227 N/A GLN 279.A N GLN 275.A O no hydrogen 2.946 N/A ASN 280.A N ARG 276.A O no hydrogen 2.944 N/A GLN 282.A N GLN 279.A O no hydrogen 2.892 N/A VAL 283.A N ASN 280.A O no hydrogen 3.281 N/A GLU 285.A N GLN 282.A O no hydrogen 2.944 N/A LEU 288.A N GLN 262.A OE1 no hydrogen 2.780 N/A THR 289.A N GLU 292.A OE1 no hydrogen 2.992 N/A GLU 292.A N THR 289.A OG1 no hydrogen 3.087 N/A MET 293.A N THR 289.A O no hydrogen 2.932 N/A LYS 294.A N SER 290.A O no hydrogen 3.006 N/A ALA 295.A N GLU 291.A O no hydrogen 3.028 N/A ILE 296.A N GLU 292.A O no hydrogen 2.925 N/A ASP 297.A N MET 293.A O no hydrogen 2.886 N/A GLY 298.A N LYS 294.A O no hydrogen 3.139 N/A GLY 298.A N ALA 295.A O no hydrogen 3.131 N/A LEU 299.A N ILE 296.A O no hydrogen 2.993 N/A ASN 300.A N ASP 297.A O no hydrogen 3.336 N/A ARG 301.A N TYR 196.A O no hydrogen 3.026 N/A VAL 303.A N TYR 196.A O no hydrogen 3.260 N/A TYR 305.A N GLU 192.A OE2 no hydrogen 2.675 N/A TYR 305.A OH PRO 233.A O no hydrogen 2.678 N/A LEU 306.A N GLU 192.A OE1 no hydrogen 2.908 N/A ASP 309.A N THR 307.A OG1 no hydrogen 3.253 N/A PHE 311.A N LEU 308.A O no hydrogen 2.941 N/A ALA 312.A N ASP 309.A O no hydrogen 3.065 N/A TYR 317.A N PRO 314.A O no hydrogen 2.979 N/A TYR 317.A OH THR 307.A O no hydrogen 2.522 N/A