Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k1m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 42.A OE1 no hydrogen 3.508 N/A MET 1.A N GLU 42.A OE2 no hydrogen 2.760 N/A GLU 2.A N HIS 5.A ND1 no hydrogen 3.046 N/A ARG 4.A NE GLN 35.A OE1 no hydrogen 3.058 N/A ARG 4.A NH2 GLN 35.A OE1 no hydrogen 2.837 N/A HIS 5.A N GLU 2.A O no hydrogen 3.170 N/A ARG 7.A N LEU 3.A O no hydrogen 2.978 N/A TYR 8.A N ARG 4.A O no hydrogen 2.840 N/A PHE 9.A N HIS 5.A O no hydrogen 3.003 N/A VAL 10.A N LEU 6.A O no hydrogen 2.976 N/A ALA 11.A N ARG 7.A O no hydrogen 3.207 N/A VAL 12.A N TYR 8.A O no hydrogen 3.398 N/A VAL 13.A N PHE 9.A O no hydrogen 3.056 N/A GLU 14.A N VAL 10.A O no hydrogen 2.855 N/A GLU 15.A N ALA 11.A O no hydrogen 2.798 N/A ALA 21.A N SER 17.A O no hydrogen 3.348 N/A LEU 25.A N ALA 21.A O no hydrogen 3.082 N/A CYS 26.A N ASP 23.A O no hydrogen 3.424 N/A CYS 26.A SG ASP 23.A O no hydrogen 4.013 N/A ILE 27.A N ALA 22.A O no hydrogen 3.054 N/A SER 33.A N GLN 29.A O no hydrogen 3.167 N/A SER 33.A OG GLN 29.A O no hydrogen 3.085 N/A ARG 34.A N PRO 30.A O no hydrogen 3.363 N/A GLN 35.A N PRO 31.A O no hydrogen 3.148 N/A ILE 36.A N LEU 32.A O no hydrogen 3.458 N/A GLN 37.A N SER 33.A O no hydrogen 2.969 N/A ASN 38.A N ARG 34.A O no hydrogen 2.734 N/A LEU 39.A N GLN 35.A O no hydrogen 2.807 N/A GLU 40.A N ILE 36.A O no hydrogen 3.035 N/A GLU 41.A N GLN 37.A O no hydrogen 3.212 N/A GLU 42.A N ASN 38.A O no hydrogen 3.021 N/A LEU 43.A N LEU 39.A O no hydrogen 2.955 N/A ILE 45.A N GLU 40.A O no hydrogen 2.969 N/A LEU 47.A N GLU 40.A OE2 no hydrogen 2.761 N/A LEU 48.A N GLU 40.A OE2 no hydrogen 3.060 N/A GLU 49.A N LYS 56.A O no hydrogen 2.783 N/A SER 52.A N GLU 49.A O no hydrogen 3.281 N/A SER 52.A OG PRO 54.A O no hydrogen 2.744 N/A VAL 55.A N GLN 16.A O no hydrogen 3.131 N/A THR 58.A N LEU 47.A O no hydrogen 2.973 N/A THR 58.A OG1 GLN 46.A O no hydrogen 2.741 N/A THR 58.A OG1 LEU 47.A O no hydrogen 3.018 N/A GLY 61.A N THR 58.A OG1 no hydrogen 2.993 N/A HIS 62.A N THR 58.A O no hydrogen 2.913 N/A PHE 63.A N PRO 59.A O no hydrogen 3.246 N/A PHE 64.A N GLU 60.A O no hydrogen 2.903 N/A TYR 65.A N GLY 61.A O no hydrogen 2.925 N/A TYR 65.A OH GLU 14.A OE2 no hydrogen 3.329 N/A GLN 66.A N HIS 62.A O no hydrogen 3.143 N/A TYR 67.A N PHE 63.A O no hydrogen 3.148 N/A ALA 68.A N PHE 64.A O no hydrogen 2.939 N/A ILE 69.A N TYR 65.A O no hydrogen 3.035 N/A LEU 71.A N TYR 67.A O no hydrogen 2.899 N/A LEU 72.A N ALA 68.A O no hydrogen 2.786 N/A SER 73.A N ILE 69.A O no hydrogen 3.048 N/A ASN 74.A N LYS 70.A O no hydrogen 3.025 N/A VAL 75.A N LEU 71.A O no hydrogen 3.185 N/A ASP 76.A N LEU 72.A O no hydrogen 3.215 N/A GLN 77.A N SER 73.A O no hydrogen 2.919 N/A MET 78.A N ASN 74.A O no hydrogen 2.814 N/A VAL 79.A N VAL 75.A O no hydrogen 3.022 N/A SER 80.A N ASP 76.A O no hydrogen 3.108 N/A MET 81.A N GLN 77.A O no hydrogen 2.783 N/A THR 82.A N MET 78.A O no hydrogen 3.036 N/A THR 82.A OG1 MET 78.A O no hydrogen 2.569 N/A ARG 84.A N MET 81.A O no hydrogen 3.113 N/A ARG 84.A NH2 GLN 114.A O no hydrogen 2.704 N/A ILE 92.A N ARG 120.A O no hydrogen 2.806 N/A ARG 93.A N ASP 141.A OD2 no hydrogen 3.314 N/A ARG 93.A NE GLU 122.A OE1 no hydrogen 2.909 N/A ILE 94.A N GLU 122.A O no hydrogen 2.845 N/A GLY 95.A N ALA 142.A O no hydrogen 2.872 N/A PHE 96.A N TYR 124.A O no hydrogen 2.997 N/A VAL 97.A N PHE 144.A O no hydrogen 3.173 N/A LEU 100.A N VAL 97.A O no hydrogen 3.028 N/A LEU 101.A N GLY 98.A O no hydrogen 3.069 N/A PHE 102.A N SER 99.A O no hydrogen 3.359 N/A GLY 103.A N LEU 100.A O no hydrogen 3.353 N/A ILE 108.A N LEU 104.A O no hydrogen 3.187 N/A ILE 109.A N LEU 105.A O no hydrogen 2.963 N/A HIS 110.A N PRO 106.A O no hydrogen 2.855 N/A LEU 111.A N ARG 107.A O no hydrogen 3.002 N/A TYR 112.A N ILE 108.A O no hydrogen 2.841 N/A TYR 112.A OH TYR 281.A O no hydrogen 2.559 N/A ARG 113.A N ILE 109.A O no hydrogen 2.834 N/A ALA 115.A N LEU 111.A O no hydrogen 3.305 N/A ALA 115.A N TYR 112.A O no hydrogen 3.146 N/A HIS 116.A N TYR 112.A O no hydrogen 3.332 N/A HIS 116.A N ARG 113.A O no hydrogen 3.274 N/A LEU 119.A N HIS 116.A O no hydrogen 3.009 N/A ARG 120.A N LYS 90.A O no hydrogen 3.048 N/A ARG 120.A NE GLU 122.A OE2 no hydrogen 2.745 N/A ARG 120.A NH2 GLU 122.A OE2 no hydrogen 2.975 N/A GLU 122.A N ILE 92.A O no hydrogen 2.872 N/A TYR 124.A N ILE 94.A O no hydrogen 2.826 N/A TYR 124.A OH GLU 122.A OE1 no hydrogen 2.617 N/A MET 126.A N PHE 96.A O no hydrogen 2.917 N/A LYS 129.A NZ.B LYS 200.A O no hydrogen 2.999 N/A GLN 131.A N GLY 127.A O no hydrogen 2.853 N/A GLN 131.A NE2 MET 126.A O no hydrogen 2.824 N/A GLN 131.A NE2 PHE 144.A O no hydrogen 2.966 N/A THR 132.A N THR 128.A O no hydrogen 2.924 N/A THR 132.A OG1 THR 128.A O no hydrogen 2.853 N/A GLU 133.A N LYS 129.A O no hydrogen 3.139 N/A ALA 134.A N ALA 130.A O no hydrogen 2.885 N/A LEU 135.A N GLN 131.A O no hydrogen 2.890 N/A LYS 136.A N THR 132.A O no hydrogen 3.176 N/A LYS 136.A NZ GLU 133.A OE2 no hydrogen 3.215 N/A LYS 136.A NZ ASP 151.A OD2 no hydrogen 3.266 N/A GLU 137.A N GLU 133.A O no hydrogen 2.923 N/A GLY 138.A N LEU 135.A O no hydrogen 2.988 N/A ARG 139.A N ALA 134.A O no hydrogen 2.677 N/A ARG 139.A NE GLU 137.A OE1 no hydrogen 2.797 N/A ARG 139.A NH2 GLU 137.A OE1 no hydrogen 2.802 N/A ASP 141.A N ARG 93.A O no hydrogen 2.748 N/A GLY 143.A N ALA 272.A O no hydrogen 2.804 N/A PHE 144.A N GLY 95.A O no hydrogen 2.811 N/A GLY 145.A N TYR 270.A O no hydrogen 3.134 N/A ARG 146.A NE SER 99.A OG no hydrogen 2.798 N/A ARG 146.A NH1 GLU 162.A OE1 no hydrogen 2.844 N/A ARG 146.A NH1 THR 267.A OG1 no hydrogen 3.223 N/A ARG 146.A NH2 GLU 162.A OE1 no hydrogen 2.914 N/A ALA 153.A N ASP 151.A OD1 no hydrogen 2.995 N/A ILE 154.A N ASP 151.A O no hydrogen 3.163 N/A LYS 155.A N VAL 273.A O no hydrogen 2.797 N/A LYS 155.A NZ TYR 286.A OH.B no hydrogen 3.524 N/A THR 157.A N ILE 271.A O no hydrogen 2.994 N/A THR 157.A OG1 LEU 158.A O no hydrogen 3.445 N/A LEU 159.A N ILE 269.A O no hydrogen 2.787 N/A ARG 163.A NH1 ASP 262.A O no hydrogen 3.567 N/A ARG 163.A NH1 PRO 263.A O no hydrogen 2.924 N/A ARG 163.A NH2 LEU 260.A O no hydrogen 2.545 N/A ARG 163.A NH2 ASP 262.A O no hydrogen 2.831 N/A LEU 164.A N ALA 265.A O no hydrogen 3.016 N/A MET 165.A N VAL 243.A O no hydrogen 2.842 N/A VAL 166.A N VAL 258.A O no hydrogen 2.897 N/A ALA 167.A N SER 241.A O no hydrogen 2.629 N/A VAL 168.A N SER 256.A O no hydrogen 2.845 N/A HIS 169.A ND1 SER 171.A OG no hydrogen 2.947 N/A ALA 170.A N ASN 254.A O no hydrogen 2.664 N/A SER 171.A N HIS 169.A ND1 no hydrogen 3.140 N/A SER 171.A OG HIS 169.A ND1 no hydrogen 2.947 N/A HIS 172.A N HIS 169.A O no hydrogen 2.892 N/A HIS 172.A NE2 GLU 190.A OE1 no hydrogen 2.766 N/A LEU 174.A N HIS 172.A ND1 no hydrogen 3.004 N/A ASN 175.A N HIS 172.A O no hydrogen 2.880 N/A ASN 175.A ND2 ALA 170.A O no hydrogen 3.033 N/A GLN 176.A N PRO 173.A O no hydrogen 3.059 N/A MET 177.A N LEU 174.A O no hydrogen 2.958 N/A LYS 178.A N ASN 175.A O no hydrogen 3.284 N/A LYS 180.A N MET 177.A O no hydrogen 3.011 N/A GLY 181.A N MET 177.A O no hydrogen 2.626 N/A VAL 182.A N PRO 259.A O no hydrogen 2.906 N/A HIS 183.A N ASP 186.A OD2 no hydrogen 2.852 N/A LEU 184.A N ASP 262.A OD2 no hydrogen 2.805 N/A ASP 186.A N HIS 183.A O no hydrogen 2.880 N/A LEU 187.A N LEU 184.A O no hydrogen 2.865 N/A ILE 188.A N ASN 185.A O no hydrogen 3.462 N/A GLU 190.A N LEU 187.A O no hydrogen 3.076 N/A ILE 192.A N LYS 220.A O no hydrogen 2.740 N/A LEU 193.A N ILE 240.A O no hydrogen 2.772 N/A LEU 194.A N ASN 222.A O no hydrogen 2.808 N/A SER 197.A N ARG 225.A O no hydrogen 3.034 N/A ASN 202.A N THR 205.A OG1 no hydrogen 2.885 N/A ASN 202.A ND2 PRO 196.A O no hydrogen 2.991 N/A SER 204.A N ASN 202.A OD1 no hydrogen 2.883 N/A SER 204.A OG ASN 202.A OD1 no hydrogen 2.825 N/A SER 204.A OG GLU 223.A OE2 no hydrogen 2.959 N/A THR 205.A N ASN 202.A OD1 no hydrogen 3.467 N/A THR 205.A OG1 ASN 202.A O no hydrogen 3.248 N/A HIS 206.A N ASN 202.A O no hydrogen 3.195 N/A HIS 206.A NE2 ILE 266.A O no hydrogen 2.763 N/A VAL 207.A N PHE 203.A O no hydrogen 3.022 N/A MET 208.A N SER 204.A O no hydrogen 3.164 N/A ASN 209.A N THR 205.A O no hydrogen 2.800 N/A ILE 210.A N HIS 206.A O no hydrogen 2.808 N/A PHE 211.A N VAL 207.A O no hydrogen 3.109 N/A SER 212.A N MET 208.A O no hydrogen 2.855 N/A ASP 213.A N ASN 209.A O no hydrogen 2.691 N/A HIS 214.A N PHE 211.A O no hydrogen 2.968 N/A HIS 214.A ND1 ILE 210.A O no hydrogen 2.824 N/A GLY 215.A N SER 212.A O no hydrogen 3.115 N/A LEU 216.A N PHE 211.A O no hydrogen 2.875 N/A LYS 220.A NZ ASP 189.A O no hydrogen 3.371 N/A ASN 222.A N ILE 192.A O no hydrogen 2.961 N/A VAL 224.A N LEU 194.A O no hydrogen 2.800 N/A GLN 228.A N GLN 228.A OE1 no hydrogen 2.911 N/A ALA 230.A N GLU 226.A O no hydrogen 3.171 N/A LEU 231.A N VAL 227.A O no hydrogen 2.907 N/A GLY 232.A N GLN 228.A O no hydrogen 2.793 N/A LEU 233.A N LEU 229.A O no hydrogen 2.821 N/A VAL 234.A N ALA 230.A O no hydrogen 3.002 N/A ALA 235.A N LEU 231.A O no hydrogen 2.908 N/A ALA 236.A N GLY 232.A O no hydrogen 2.979 N/A ALA 236.A N LEU 233.A O no hydrogen 3.168 N/A GLY 237.A N VAL 234.A O no hydrogen 3.046 N/A GLU 238.A N LEU 233.A O no hydrogen 2.912 N/A ILE 240.A N LYS 191.A O no hydrogen 2.865 N/A SER 241.A N ALA 167.A O no hydrogen 3.017 N/A SER 241.A OG LEU 193.A O no hydrogen 2.711 N/A VAL 243.A N MET 165.A O no hydrogen 2.831 N/A ALA 245.A N ARG 163.A O no hydrogen 2.759 N/A SER 246.A N GLU 162.A OE2 no hydrogen 2.712 N/A SER 246.A OG GLU 162.A OE2 no hydrogen 2.574 N/A THR 247.A N PRO 244.A O no hydrogen 3.009 N/A GLN 248.A N ALA 245.A O no hydrogen 3.052 N/A SER 249.A N SER 246.A O no hydrogen 2.974 N/A SER 249.A OG PHE 102.A O no hydrogen 2.885 N/A SER 249.A OG SER 246.A O no hydrogen 3.007 N/A ILE 250.A N THR 247.A O no hydrogen 2.972 N/A GLN 251.A NE2 GLN 248.A O no hydrogen 2.794 N/A LEU 255.A N LEU 252.A O no hydrogen 2.976 N/A SER 256.A N VAL 168.A O no hydrogen 2.815 N/A SER 256.A OG ASN 175.A OD1 no hydrogen 2.586 N/A TYR 257.A OH ILE 250.A O no hydrogen 2.603 N/A VAL 258.A N VAL 166.A O no hydrogen 2.787 N/A LEU 261.A N VAL 182.A O no hydrogen 2.626 N/A ALA 265.A N ASP 262.A O no hydrogen 2.983 N/A THR 267.A N GLU 162.A O no hydrogen 2.730 N/A ILE 269.A N ARG 160.A O no hydrogen 2.863 N/A TYR 270.A N GLY 145.A O no hydrogen 2.866 N/A ILE 271.A N THR 157.A O no hydrogen 3.073 N/A ALA 272.A N GLY 143.A O no hydrogen 2.664 N/A VAL 273.A N LYS 155.A O no hydrogen 2.966 N/A ARG 274.A NH1 LEU 135.A O no hydrogen 2.782 N/A ARG 274.A NH1 ILE 140.A O no hydrogen 2.963 N/A ARG 274.A NH2 ASP 141.A OD1 no hydrogen 2.957 N/A ASN 275.A N ALA 153.A O no hydrogen 2.790 N/A GLU 277.A N ARG 274.A O no hydrogen 3.067 N/A SER 279.A N GLU 277.A OE2 no hydrogen 3.286 N/A TYR 281.A N SER 279.A OG no hydrogen 3.222 N/A ILE 282.A N SER 279.A O no hydrogen 2.992 N/A TYR 283.A N SER 279.A O no hydrogen 3.094 N/A SER 284.A N THR 280.A O no hydrogen 2.844 N/A LEU 285.A N TYR 281.A O no hydrogen 3.191 N/A TYR 286.A N ILE 282.A O no hydrogen 2.981 N/A GLU 287.A N TYR 283.A O no hydrogen 2.979 N/A THR 288.A N SER 284.A O no hydrogen 2.962 N/A THR 288.A OG1 SER 284.A O no hydrogen 2.902 N/A ILE 289.A N LEU 285.A O no hydrogen 3.052 N/A ARG 290.A N TYR 286.A O no hydrogen 3.013 N/A GLN 291.A N GLU 287.A O no hydrogen 2.797 N/A GLN 291.A NE2 TYR 295.A OH no hydrogen 3.439 N/A ILE 292.A N THR 288.A O no hydrogen 3.004 N/A TYR 293.A N ILE 289.A O no hydrogen 2.884 N/A ALA 294.A N ARG 290.A O no hydrogen 2.926 N/A TYR 295.A N GLN 291.A O no hydrogen 3.115 N/A GLU 296.A N ILE 292.A O no hydrogen 3.020 N/A GLY 297.A N ALA 294.A O no hydrogen 3.074 N/A PHE 298.A N TYR 293.A O no hydrogen 2.815 N/A