Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mkn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ PRO 25.A O no hydrogen 2.793 N/A ARG 2.A N ALA 26.A O no hydrogen 2.866 N/A ARG 2.A NH2 THR 118.A OG1 no hydrogen 2.745 N/A ARG 2.A NH2 GLU 144.A OE1 no hydrogen 2.941 N/A LYS 3.A NZ ASP 116.A OD2 no hydrogen 2.855 N/A ILE 4.A N ASP 28.A O no hydrogen 2.989 N/A ILE 5.A N THR 118.A O no hydrogen 3.062 N/A LEU 6.A N GLY 31.A O no hydrogen 3.183 N/A ASP 7.A N VAL 120.A O no hydrogen 2.851 N/A CYS 8.A N THR 33.A O no hydrogen 2.931 N/A CYS 8.A SG THR 33.A O no hydrogen 4.008 N/A ASP 9.A N ASP 14.A OD1 no hydrogen 3.061 N/A GLY 11.A N GLY 84.A O no hydrogen 2.865 N/A HIS 12.A ND1 HIS 80.A ND1 no hydrogen 3.321 N/A HIS 12.A NE2 ASP 86.A O no hydrogen 2.639 N/A ASP 13.A N ASP 13.A OD1 no hydrogen 2.619 N/A ALA 15.A N GLY 11.A O no hydrogen 3.196 N/A ALA 17.A N ASP 13.A O no hydrogen 3.042 N/A ILE 18.A N ASP 14.A O no hydrogen 2.880 N/A MET 19.A N ALA 15.A O no hydrogen 2.992 N/A MET 20.A N ILE 16.A O no hydrogen 2.990 N/A ALA 21.A N ALA 17.A O no hydrogen 2.886 N/A ALA 22.A N ILE 18.A O no hydrogen 3.005 N/A LYS 23.A N MET 20.A O no hydrogen 3.394 N/A LYS 23.A NZ GLY 299.A O no hydrogen 2.995 N/A HIS 24.A N MET 20.A O no hydrogen 3.239 N/A HIS 24.A NE2 GLU 295.A OE1 no hydrogen 2.786 N/A ALA 26.A N HIS 24.A ND1 no hydrogen 3.115 N/A ILE 27.A N HIS 24.A O no hydrogen 2.922 N/A ASP 28.A N ARG 2.A O no hydrogen 2.879 N/A LEU 30.A N ILE 4.A O no hydrogen 2.995 N/A ILE 32.A N PRO 60.A O no hydrogen 2.981 N/A THR 33.A N LEU 6.A O no hydrogen 2.892 N/A THR 33.A OG1 ASP 7.A OD1 no hydrogen 2.527 N/A ILE 34.A N TYR 62.A O no hydrogen 2.767 N/A VAL 35.A N CYS 8.A O no hydrogen 3.059 N/A ALA 36.A N MET 65.A O no hydrogen 2.984 N/A GLY 37.A N GLN 39.A O no hydrogen 2.994 N/A ASN 38.A N ASP 9.A OD2 no hydrogen 2.799 N/A ASN 38.A ND2 ASP 9.A O no hydrogen 2.933 N/A GLN 39.A NE2 GLY 81.A O no hydrogen 3.330 N/A THR 40.A N GLN 39.A OE1 no hydrogen 3.024 N/A THR 40.A OG1 ASP 42.A OD1 no hydrogen 2.432 N/A LYS 43.A N THR 40.A O no hydrogen 3.032 N/A LYS 43.A NZ ASP 82.A O no hydrogen 2.891 N/A THR 44.A N THR 40.A O no hydrogen 3.042 N/A THR 44.A OG1 VAL 35.A O no hydrogen 3.098 N/A THR 44.A OG1 LEU 41.A O no hydrogen 3.435 N/A LEU 45.A N LEU 41.A O no hydrogen 2.905 N/A ILE 46.A N ASP 42.A O no hydrogen 3.263 N/A ASN 47.A N LYS 43.A O no hydrogen 2.858 N/A ASN 47.A ND2 PRO 10.A O no hydrogen 2.718 N/A ASN 47.A ND2 THR 83.A O no hydrogen 3.100 N/A GLY 48.A N THR 44.A O no hydrogen 2.900 N/A LEU 49.A N LEU 45.A O no hydrogen 2.905 N/A ASN 50.A N ILE 46.A O no hydrogen 2.793 N/A VAL 51.A N ASN 47.A O no hydrogen 3.053 N/A CYS 52.A N GLY 48.A O no hydrogen 3.034 N/A CYS 52.A SG GLY 48.A O no hydrogen 3.521 N/A GLN 53.A N LEU 49.A O no hydrogen 2.873 N/A GLN 53.A NE2 PRO 92.A O no hydrogen 3.099 N/A LYS 54.A N ASN 50.A O no hydrogen 2.992 N/A LYS 54.A NZ VAL 89.A O no hydrogen 3.498 N/A LEU 55.A N VAL 51.A O no hydrogen 2.950 N/A GLU 56.A N GLN 53.A O no hydrogen 3.183 N/A ILE 57.A N CYS 52.A O no hydrogen 2.805 N/A TYR 62.A N ILE 32.A O no hydrogen 2.798 N/A GLY 64.A N ILE 34.A O no hydrogen 2.797 N/A MET 65.A N ASN 127.A OD1 no hydrogen 2.731 N/A GLN 67.A NE2.A GLN 73.A OE1 no hydrogen 2.892 N/A ILE 69.A N ASP 168.A OD2 no hydrogen 2.945 N/A ARG 71.A NE GLN 72.A O no hydrogen 2.768 N/A ARG 71.A NH1 PHE 166.A O no hydrogen 2.932 N/A ARG 71.A NH2 GLN 72.A O no hydrogen 3.461 N/A GLN 73.A NE2 PRO 66.A O no hydrogen 2.830 N/A ALA 76.A N ASN 38.A O no hydrogen 3.010 N/A HIS 80.A ND1 HIS 12.A ND1 no hydrogen 3.321 N/A GLY 81.A N ASP 77.A O no hydrogen 3.209 N/A THR 83.A N ASP 86.A OD1 no hydrogen 2.998 N/A THR 83.A OG1 ASP 86.A OD1 no hydrogen 2.732 N/A LEU 85.A N THR 83.A OG1 no hydrogen 2.879 N/A THR 94.A N GLN 53.A OE1 no hydrogen 2.973 N/A THR 94.A OG1 GLN 53.A OE1 no hydrogen 3.542 N/A ARG 95.A N GLN 53.A OE1 no hydrogen 3.352 N/A ARG 95.A NH1 ILE 57.A O no hydrogen 2.459 N/A ARG 95.A NH2 ILE 57.A O no hydrogen 3.030 N/A GLU 98.A N VAL 61.A O no hydrogen 2.823 N/A ALA 102.A N ALA 63.A O no hydrogen 2.926 N/A VAL 103.A N HIS 101.A ND1 no hydrogen 3.143 N/A LYS 104.A NZ ASP 108.A OD2 no hydrogen 2.762 N/A TYR 105.A N HIS 101.A O no hydrogen 2.939 N/A ILE 106.A N ALA 102.A O no hydrogen 2.909 N/A ILE 107.A N VAL 103.A O no hydrogen 3.059 N/A ASP 108.A N LYS 104.A O no hydrogen 2.806 N/A THR 109.A N TYR 105.A O no hydrogen 2.872 N/A THR 109.A OG1 TYR 105.A O no hydrogen 2.664 N/A LEU 110.A N ILE 106.A O no hydrogen 3.077 N/A MET 111.A N ILE 107.A O no hydrogen 2.850 N/A ALA 112.A N ASP 108.A O no hydrogen 3.067 N/A SER 113.A N LEU 110.A O no hydrogen 3.113 N/A SER 113.A OG LEU 110.A O no hydrogen 2.704 N/A GLY 115.A N SER 113.A OG no hydrogen 3.232 N/A THR 118.A N LYS 3.A O no hydrogen 2.909 N/A LEU 119.A N GLU 144.A O no hydrogen 3.120 N/A VAL 120.A N ILE 5.A O no hydrogen 2.881 N/A VAL 122.A N ASP 7.A O no hydrogen 2.734 N/A SER 126.A OG ASP 168.A OD2 no hydrogen 2.610 N/A ASN 127.A ND2 ASP 7.A OD1 no hydrogen 2.765 N/A ASN 127.A ND2 ILE 34.A O no hydrogen 3.153 N/A ALA 129.A N LEU 125.A O no hydrogen 2.971 N/A VAL 130.A N SER 126.A O no hydrogen 3.085 N/A ALA 131.A N ASN 127.A O no hydrogen 3.042 N/A MET 132.A N ILE 128.A O no hydrogen 2.993 N/A ARG 133.A N ALA 129.A O no hydrogen 3.087 N/A MET 134.A N VAL 130.A O no hydrogen 2.875 N/A GLN 135.A N ALA 131.A O no hydrogen 2.950 N/A ALA 137.A N GLN 135.A OE1 no hydrogen 2.987 N/A ILE 138.A N GLN 135.A O no hydrogen 3.058 N/A LEU 139.A N PRO 136.A O no hydrogen 3.149 N/A LYS 141.A N ILE 138.A O no hydrogen 2.884 N/A LYS 141.A NZ SER 113.A O no hydrogen 3.029 N/A ILE 142.A N ILE 138.A O no hydrogen 3.145 N/A ILE 142.A N LEU 139.A O no hydrogen 3.224 N/A ARG 143.A N ILE 117.A O no hydrogen 2.897 N/A ILE 145.A N PRO 181.A O no hydrogen 2.836 N/A VAL 146.A N LEU 119.A O no hydrogen 2.969 N/A LEU 147.A N VAL 183.A O no hydrogen 2.874 N/A MET 148.A N PRO 121.A O no hydrogen 2.993 N/A GLY 149.A N MET 185.A O no hydrogen 3.188 N/A GLY 150.A N GLU 162.A OE1 no hydrogen 2.791 N/A ALA 151.A N THR 264.A OG1 no hydrogen 2.978 N/A TYR 152.A N ASP 188.A OD2 no hydrogen 2.788 N/A GLY 153.A N ASP 188.A OD1 no hydrogen 2.792 N/A GLY 155.A N PRO 159.A O no hydrogen 2.871 N/A ASN 156.A N ALA 161.A O no hydrogen 3.066 N/A PHE 157.A N ASN 156.A OD1 no hydrogen 2.731 N/A THR 158.A N ALA 161.A O no hydrogen 3.344 N/A SER 160.A N THR 158.A OG1 no hydrogen 3.117 N/A SER 160.A OG PRO 259.A O no hydrogen 2.685 N/A ALA 161.A N THR 158.A OG1 no hydrogen 2.903 N/A PHE 163.A N ASN 156.A OD1 no hydrogen 2.906 N/A ASN 164.A N GLU 162.A OE2 no hydrogen 2.851 N/A ASN 164.A ND2 MET 148.A O no hydrogen 2.804 N/A ILE 165.A N GLU 162.A OE1 no hydrogen 3.247 N/A PHE 166.A N GLU 162.A O no hydrogen 2.907 N/A ALA 167.A N PHE 163.A O no hydrogen 2.685 N/A ASP 168.A N ILE 165.A O no hydrogen 3.033 N/A ALA 171.A N ASP 168.A OD1 no hydrogen 2.996 N/A ALA 172.A N ASP 168.A O no hydrogen 3.058 N/A ARG 173.A N PRO 169.A O no hydrogen 2.836 N/A ARG 173.A NE VAL 253.A O no hydrogen 3.063 N/A ARG 173.A NH2 VAL 253.A O no hydrogen 2.804 N/A VAL 174.A N GLU 170.A O no hydrogen 3.155 N/A VAL 175.A N ALA 171.A O no hydrogen 3.093 N/A PHE 176.A N ALA 172.A O no hydrogen 2.844 N/A THR 177.A N ARG 173.A O no hydrogen 3.004 N/A THR 177.A N VAL 174.A O no hydrogen 3.278 N/A THR 177.A OG1 ARG 173.A O no hydrogen 2.717 N/A THR 177.A OG1 VAL 174.A O no hydrogen 3.322 N/A SER 178.A N VAL 175.A O no hydrogen 3.213 N/A SER 178.A OG VAL 175.A O no hydrogen 2.694 N/A VAL 180.A N SER 178.A OG no hydrogen 3.287 N/A VAL 183.A N ILE 145.A O no hydrogen 2.667 N/A MET 184.A N LYS 279.A O no hydrogen 2.898 N/A MET 185.A N LEU 147.A O no hydrogen 2.871 N/A LEU 187.A N GLY 150.A O no hydrogen 2.952 N/A LEU 189.A N GLY 186.A O no hydrogen 3.089 N/A THR 190.A N GLY 186.A O no hydrogen 2.999 N/A THR 190.A OG1 GLY 186.A O no hydrogen 3.387 N/A THR 190.A OG1 HIS 230.A ND1 no hydrogen 2.694 N/A ASN 191.A N LEU 187.A O no hydrogen 2.790 N/A GLN 192.A N LEU 189.A O no hydrogen 2.999 N/A GLN 192.A NE2 ASP 188.A O no hydrogen 2.768 N/A GLN 192.A NE2 ILE 282.A O no hydrogen 2.834 N/A THR 193.A N THR 190.A O no hydrogen 2.879 N/A THR 193.A OG1 THR 190.A O no hydrogen 2.788 N/A THR 193.A OG1 VAL 229.A O no hydrogen 2.195 N/A VAL 199.A N THR 196.A O no hydrogen 3.185 N/A ILE 200.A N THR 196.A O no hydrogen 3.334 N/A ALA 201.A N PRO 197.A O no hydrogen 3.201 N/A ARG 202.A N ASP 198.A O no hydrogen 3.143 N/A ARG 202.A NE GLU 294.A OE1 no hydrogen 3.217 N/A ARG 202.A NH2 GLU 294.A OE1 no hydrogen 2.936 N/A MET 203.A N VAL 199.A O no hydrogen 3.081 N/A GLU 204.A N ILE 200.A O no hydrogen 3.091 N/A ARG 205.A N ALA 201.A O no hydrogen 3.025 N/A ALA 206.A N ARG 202.A O no hydrogen 3.287 N/A GLY 207.A N MET 203.A O no hydrogen 2.889 N/A GLU 212.A N GLY 208.A O no hydrogen 2.826 N/A LEU 213.A N PRO 209.A O no hydrogen 3.213 N/A PHE 214.A N ALA 210.A O no hydrogen 2.833 N/A SER 215.A N GLY 211.A O no hydrogen 3.020 N/A SER 215.A OG GLU 204.A OE1 no hydrogen 2.652 N/A ASP 216.A N GLU 212.A O no hydrogen 2.991 N/A ILE 217.A N LEU 213.A O no hydrogen 2.978 N/A MET 218.A N PHE 214.A O no hydrogen 2.757 N/A ASN 219.A N SER 215.A O no hydrogen 2.983 N/A PHE 220.A N ILE 217.A O no hydrogen 3.244 N/A THR 221.A OG1 MET 218.A O no hydrogen 3.423 N/A LEU 222.A N MET 218.A O no hydrogen 3.309 N/A LYS 223.A N ASN 219.A O no hydrogen 3.037 N/A THR 224.A N PHE 220.A O no hydrogen 2.969 N/A THR 224.A OG1 THR 221.A O no hydrogen 3.451 N/A VAL 229.A N THR 193.A O no hydrogen 2.686 N/A VAL 229.A N THR 193.A OG1 no hydrogen 3.036 N/A HIS 230.A ND1 THR 190.A OG1 no hydrogen 2.694 N/A ASP 231.A N ASP 13.A OD2 no hydrogen 3.274 N/A THR 233.A N HIS 230.A O no hydrogen 3.129 N/A THR 233.A OG1 HIS 230.A O no hydrogen 2.686 N/A CYS 234.A N ASP 231.A O no hydrogen 3.156 N/A CYS 234.A SG VAL 146.A O no hydrogen 3.632 N/A GLY 236.A N ALA 232.A O no hydrogen 3.018 N/A TYR 237.A N THR 233.A O no hydrogen 2.883 N/A LEU 238.A N CYS 234.A O no hydrogen 3.212 N/A ILE 239.A N ILE 235.A O no hydrogen 3.034 N/A ASN 240.A N GLY 236.A O no hydrogen 2.978 N/A ASP 242.A N ASN 240.A OD1 no hydrogen 3.063 N/A GLY 243.A N ASN 240.A O no hydrogen 3.094 N/A ILE 244.A N PRO 241.A O no hydrogen 3.108 N/A LYS 245.A N THR 283.A O no hydrogen 2.865 N/A GLN 247.A N VAL 280.A O no hydrogen 2.771 N/A GLN 247.A NE2 GLU 268.A O no hydrogen 2.852 N/A MET 249.A N THR 278.A O no hydrogen 2.894 N/A VAL 251.A N ASN 277.A OD1 no hydrogen 2.805 N/A GLU 252.A N VAL 265.A O no hydrogen 2.912 N/A ASP 254.A N ARG 263.A O no hydrogen 2.844 N/A ASN 256.A N ASP 254.A OD1 no hydrogen 2.979 N/A CYS 260.A SG SER 160.A OG no hydrogen 3.568 N/A TYR 261.A N GLY 258.A O no hydrogen 3.368 N/A TYR 261.A OH GLU 170.A OE1 no hydrogen 3.153 N/A TYR 261.A OH GLU 170.A OE2 no hydrogen 2.520 N/A GLY 262.A N ASP 254.A O no hydrogen 2.874 N/A ARG 263.A N CYS 260.A O no hydrogen 2.971 N/A ARG 263.A NH1 GLY 153.A O no hydrogen 2.850 N/A ARG 263.A NH1 SER 160.A O no hydrogen 2.940 N/A ARG 263.A NH2 GLY 153.A O no hydrogen 3.218 N/A THR 264.A OG1 ALA 151.A O no hydrogen 2.995 N/A VAL 265.A N GLU 252.A O no hydrogen 2.716 N/A CYS 266.A SG THR 264.A O no hydrogen 3.546 N/A ASP 267.A N TYR 250.A O no hydrogen 2.914 N/A GLU 268.A N CYS 266.A O no hydrogen 2.852 N/A GLY 270.A N ASP 267.A O no hydrogen 3.291 N/A VAL 271.A N ASP 267.A OD1 no hydrogen 2.861 N/A LEU 272.A N ASP 267.A OD2 no hydrogen 2.765 N/A GLY 273.A N GLY 270.A O no hydrogen 3.236 N/A ASN 277.A N MET 249.A O no hydrogen 2.992 N/A ASN 277.A ND2 VAL 251.A O no hydrogen 2.975 N/A THR 278.A N MET 249.A O no hydrogen 3.190 N/A THR 278.A OG1 ASN 277.A OD1 no hydrogen 2.925 N/A LYS 279.A N LEU 182.A O no hydrogen 2.859 N/A VAL 280.A N GLN 247.A O no hydrogen 2.744 N/A GLY 281.A N MET 184.A O no hydrogen 2.865 N/A ILE 282.A N LYS 245.A O no hydrogen 2.720 N/A THR 283.A N LYS 245.A O no hydrogen 3.342 N/A ILE 284.A N GLN 192.A OE1 no hydrogen 3.175 N/A ASP 285.A N GLY 243.A O no hydrogen 2.935 N/A TRP 288.A N ASP 285.A OD1 no hydrogen 3.097 N/A PHE 289.A N ASP 285.A O no hydrogen 2.983 N/A TRP 290.A N THR 286.A O no hydrogen 2.996 N/A GLY 291.A N ASP 287.A O no hydrogen 3.128 N/A LEU 292.A N TRP 288.A O no hydrogen 3.106 N/A VAL 293.A N PHE 289.A O no hydrogen 2.950 N/A GLU 294.A N TRP 290.A O no hydrogen 2.944 N/A GLU 295.A N GLY 291.A O no hydrogen 2.993 N/A CYS 296.A N LEU 292.A O no hydrogen 2.980 N/A CYS 296.A SG MET 20.A O no hydrogen 3.895 N/A CYS 296.A SG LEU 292.A O no hydrogen 3.334 N/A VAL 297.A N VAL 293.A O no hydrogen 2.931 N/A ARG 298.A N GLU 294.A O no hydrogen 2.864 N/A GLY 299.A N CYS 296.A O no hydrogen 3.113 N/A TYR 300.A N VAL 297.A O no hydrogen 2.967 N/A TYR 300.A OH MET 19.A O no hydrogen 2.730 N/A ILE 301.A N ARG 298.A O no hydrogen 3.327 N/A