Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dnf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N VAL 258.A O no hydrogen 2.693 N/A ALA 7.A N ILE 260.A O no hydrogen 2.604 N/A ALA 10.A N ALA 7.A O no hydrogen 3.245 N/A GLY 11.A N ALA 262.A O no hydrogen 2.995 N/A VAL 16.A N CYS 13.A O no hydrogen 3.153 N/A LYS 17.A N CYS 13.A O no hydrogen 2.957 N/A LYS 17.A NZ ALA 10.A O no hydrogen 3.122 N/A LYS 17.A NZ PHE 12.A O no hydrogen 3.526 N/A ARG 18.A N PHE 14.A O no hydrogen 2.974 N/A ARG 18.A NH1 THR 95.A O no hydrogen 2.985 N/A ALA 19.A N GLY 15.A O no hydrogen 2.981 N/A VAL 20.A N VAL 16.A O no hydrogen 2.832 N/A LYS 21.A N LYS 17.A O no hydrogen 2.982 N/A LEU 22.A N ARG 18.A O no hydrogen 2.826 N/A ALA 23.A N ALA 19.A O no hydrogen 2.979 N/A GLU 24.A N VAL 20.A O no hydrogen 2.959 N/A GLU 25.A N LYS 21.A O no hydrogen 2.911 N/A SER 26.A N LEU 22.A O no hydrogen 3.099 N/A SER 26.A N ALA 23.A O no hydrogen 3.196 N/A SER 26.A OG ALA 23.A O no hydrogen 2.477 N/A LEU 27.A N GLU 24.A O no hydrogen 3.372 N/A SER 30.A N LEU 27.A O no hydrogen 3.292 N/A SER 30.A OG LEU 27.A O no hydrogen 2.724 N/A LYS 33.A N ASP 67.A OD1 no hydrogen 2.903 N/A TYR 35.A N THR 68.A O no hydrogen 2.814 N/A THR 36.A N PHE 56.A O no hydrogen 2.888 N/A THR 36.A OG1 GLY 38.A O no hydrogen 2.652 N/A LEU 37.A N ILE 70.A O no hydrogen 2.888 N/A GLY 38.A N SER 58.A OG no hydrogen 3.085 N/A VAL 47.A N ASN 43.A O no hydrogen 3.027 N/A ASN 48.A N PRO 44.A O no hydrogen 2.796 N/A ARG 49.A N GLN 45.A O no hydrogen 2.837 N/A ARG 49.A NE GLU 46.A OE1 no hydrogen 2.891 N/A ARG 49.A NH1 GLU 24.A OE2 no hydrogen 2.876 N/A ARG 49.A NH2 GLU 24.A OE2 no hydrogen 2.662 N/A ARG 49.A NH2 GLU 46.A OE2 no hydrogen 2.840 N/A LEU 50.A N GLU 46.A O no hydrogen 3.046 N/A LYS 51.A N VAL 47.A O no hydrogen 2.976 N/A ASN 52.A N ASN 48.A O no hydrogen 3.066 N/A LEU 53.A N LEU 50.A O no hydrogen 3.021 N/A GLY 54.A N LEU 50.A O no hydrogen 3.034 N/A GLY 54.A N LYS 51.A O no hydrogen 2.952 N/A VAL 55.A N LEU 50.A O no hydrogen 2.898 N/A PHE 56.A N VAL 34.A O no hydrogen 2.786 N/A SER 58.A N THR 36.A O no hydrogen 2.929 N/A SER 58.A OG THR 36.A O no hydrogen 3.082 N/A GLN 59.A N GLU 62.A OE2 no hydrogen 2.795 N/A GLY 60.A N GLU 62.A OE1 no hydrogen 2.741 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.777 N/A LYS 64.A N ASP 67.A OD2 no hydrogen 2.776 N/A GLY 66.A N GLY 88.A O no hydrogen 2.880 N/A ASP 67.A N LYS 64.A O no hydrogen 2.853 N/A THR 68.A N LYS 33.A O no hydrogen 2.864 N/A VAL 69.A N LYS 90.A O no hydrogen 2.958 N/A ILE 70.A N TYR 35.A O no hydrogen 2.752 N/A ILE 71.A N ILE 92.A O no hydrogen 2.900 N/A ARG 72.A NH1 PRO 39.A O no hydrogen 2.849 N/A GLY 75.A N ARG 72.A O no hydrogen 2.924 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.706 N/A LYS 80.A N PRO 77.A O no hydrogen 2.994 N/A GLU 81.A N PRO 77.A O no hydrogen 3.143 N/A GLU 82.A N PRO 78.A O no hydrogen 2.921 N/A ALA 83.A N GLU 79.A O no hydrogen 2.960 N/A LEU 84.A N LYS 80.A O no hydrogen 2.933 N/A ARG 85.A N GLU 81.A O no hydrogen 3.107 N/A ARG 85.A NH2 GLU 81.A OE2 no hydrogen 2.605 N/A LYS 86.A N GLU 82.A O no hydrogen 2.913 N/A LYS 86.A NZ GLU 82.A OE2 no hydrogen 3.242 N/A LYS 87.A N ALA 83.A O no hydrogen 3.182 N/A LYS 87.A N LEU 84.A O no hydrogen 3.173 N/A LYS 87.A NZ GLU 61.A OE2 no hydrogen 2.629 N/A LYS 87.A NZ PHE 63.A O no hydrogen 2.983 N/A GLY 88.A N ARG 85.A O no hydrogen 2.878 N/A LYS 90.A N ASP 67.A O no hydrogen 2.822 N/A ILE 92.A N VAL 69.A O no hydrogen 2.852 N/A ALA 94.A N ILE 71.A O no hydrogen 3.142 N/A THR 95.A N ASP 93.A OD1 no hydrogen 2.917 N/A THR 95.A OG1 ASP 93.A OD1 no hydrogen 2.524 N/A CYS 96.A N SER 73.A O no hydrogen 2.822 N/A LYS 100.A N CYS 96.A O no hydrogen 2.943 N/A LYS 100.A NZ HIS 103.A ND1 no hydrogen 2.872 N/A ALA 101.A N PRO 97.A O no hydrogen 2.940 N/A VAL 102.A N VAL 99.A O no hydrogen 2.948 N/A HIS 103.A N VAL 99.A O no hydrogen 3.127 N/A GLU 104.A N LYS 100.A O no hydrogen 2.952 N/A ALA 105.A N ALA 101.A O no hydrogen 2.970 N/A VAL 106.A N VAL 102.A O no hydrogen 2.920 N/A CYS 107.A N HIS 103.A O no hydrogen 3.431 N/A CYS 107.A SG HIS 103.A O no hydrogen 3.527 N/A CYS 107.A SG TYR 133.A O no hydrogen 3.545 N/A GLN 108.A N GLU 104.A O no hydrogen 2.804 N/A LEU 109.A N ALA 105.A O no hydrogen 3.053 N/A THR 110.A N VAL 106.A O no hydrogen 3.165 N/A THR 110.A OG1 VAL 106.A O no hydrogen 2.921 N/A ARG 111.A N CYS 107.A O no hydrogen 2.945 N/A GLU 112.A N GLN 108.A O no hydrogen 3.054 N/A GLY 113.A N THR 110.A O no hydrogen 2.981 N/A TYR 114.A N LEU 109.A O no hydrogen 2.959 N/A TYR 114.A OH GLU 185.A OE2 no hydrogen 2.579 N/A PHE 115.A N ARG 158.A O no hydrogen 3.013 N/A VAL 116.A N LYS 140.A O no hydrogen 2.886 N/A VAL 117.A N GLY 160.A O no hydrogen 2.720 N/A LEU 118.A N ILE 142.A O no hydrogen 2.894 N/A VAL 119.A N VAL 162.A O no hydrogen 2.858 N/A GLY 120.A N VAL 144.A O no hydrogen 3.075 N/A GLU 121.A N GLN 164.A OE1 no hydrogen 2.947 N/A LYS 122.A N GLU 145.A OE1 no hydrogen 2.993 N/A LYS 122.A NZ ASP 149.A OD1 no hydrogen 3.511 N/A HIS 124.A N GLU 121.A O no hydrogen 2.987 N/A ILE 128.A N HIS 124.A O no hydrogen 2.980 N/A GLY 129.A N PRO 125.A O no hydrogen 2.846 N/A THR 130.A N GLU 126.A O no hydrogen 2.905 N/A THR 130.A OG1 GLU 126.A O no hydrogen 3.056 N/A LEU 131.A N VAL 127.A O no hydrogen 2.896 N/A GLY 132.A N ILE 128.A O no hydrogen 3.204 N/A TYR 133.A N GLY 129.A O no hydrogen 3.147 N/A LEU 134.A N THR 130.A O no hydrogen 2.873 N/A ARG 135.A N LEU 131.A O no hydrogen 2.874 N/A ARG 135.A NH2 GLU 79.A OE2 no hydrogen 2.817 N/A ALA 136.A N GLY 132.A O no hydrogen 2.994 N/A CYS 137.A N TYR 133.A O no hydrogen 3.103 N/A CYS 137.A SG.A TYR 133.A O no hydrogen 3.399 N/A CYS 137.A SG.A LEU 134.A O no hydrogen 3.365 N/A CYS 137.A SG.B TYR 133.A O no hydrogen 3.556 N/A ASN 138.A N ARG 135.A O no hydrogen 2.930 N/A GLY 139.A N LEU 134.A O no hydrogen 2.808 N/A ILE 142.A N VAL 116.A O no hydrogen 2.879 N/A VAL 144.A N LEU 118.A O no hydrogen 2.803 N/A GLU 145.A N ASP 149.A OD2 no hydrogen 2.751 N/A THR 146.A N ASP 149.A OD2 no hydrogen 2.924 N/A ASP 149.A N THR 146.A O no hydrogen 2.909 N/A ILE 150.A N LEU 147.A O no hydrogen 3.128 N/A LEU 154.A N ILE 150.A O no hydrogen 3.244 N/A LEU 154.A N GLY 151.A O no hydrogen 3.085 N/A LYS 155.A N GLU 152.A O no hydrogen 3.294 N/A LYS 155.A NZ GLU 152.A OE1 no hydrogen 2.832 N/A HIS 156.A N ALA 153.A O no hydrogen 3.129 N/A ARG 158.A NE GLU 185.A OE1 no hydrogen 2.973 N/A ARG 158.A NE GLU 185.A OE2 no hydrogen 3.229 N/A ARG 158.A NH1 GLU 112.A O no hydrogen 2.858 N/A ARG 158.A NH2 GLU 112.A O no hydrogen 3.556 N/A ARG 158.A NH2 GLU 185.A OE2 no hydrogen 2.812 N/A VAL 159.A N GLU 185.A O no hydrogen 3.002 N/A GLY 160.A N PHE 115.A O no hydrogen 2.833 N/A ILE 161.A N LYS 187.A O no hydrogen 2.719 N/A VAL 162.A N VAL 117.A O no hydrogen 2.892 N/A ALA 163.A N THR 191.A OG1 no hydrogen 2.880 N/A GLN 164.A N VAL 119.A O no hydrogen 2.854 N/A THR 165.A N GLU 126.A OE2 no hydrogen 2.914 N/A THR 165.A OG1 GLU 126.A OE1 no hydrogen 2.720 N/A THR 165.A OG1 GLU 126.A OE2 no hydrogen 3.555 N/A GLN 167.A N GLN 164.A O no hydrogen 2.936 N/A GLN 167.A NE2 ASN 168.A O no hydrogen 3.163 N/A PHE 171.A N ASN 168.A OD1 no hydrogen 2.927 N/A PHE 172.A N ASN 168.A O no hydrogen 3.154 N/A LYS 173.A N GLU 169.A O no hydrogen 2.893 N/A GLU 174.A N GLU 170.A O no hydrogen 3.137 N/A VAL 175.A N PHE 171.A O no hydrogen 2.925 N/A VAL 176.A N PHE 172.A O no hydrogen 2.972 N/A GLY 177.A N LYS 173.A O no hydrogen 3.006 N/A GLU 178.A N GLU 174.A O no hydrogen 2.884 N/A ILE 179.A N VAL 175.A O no hydrogen 2.898 N/A ALA 180.A N VAL 176.A O no hydrogen 3.132 N/A LEU 181.A N GLY 177.A O no hydrogen 3.328 N/A LEU 181.A N GLU 178.A O no hydrogen 3.075 N/A TRP 182.A N ILE 179.A O no hydrogen 2.940 N/A TRP 182.A NE1 GLU 178.A OE2 no hydrogen 3.087 N/A VAL 183.A N ILE 179.A O no hydrogen 3.082 N/A GLU 185.A N GLU 157.A O no hydrogen 2.961 N/A LYS 187.A N VAL 159.A O no hydrogen 2.860 N/A LYS 187.A NZ GLU 112.A OE1 no hydrogen 2.656 N/A LYS 187.A NZ GLU 112.A OE2 no hydrogen 3.273 N/A ILE 189.A N ILE 161.A O no hydrogen 2.985 N/A THR 191.A OG1 ALA 163.A O no hydrogen 2.648 N/A ILE 192.A N ASN 190.A OD1 no hydrogen 2.978 N/A CYS 193.A N THR 165.A O no hydrogen 2.878 N/A CYS 193.A SG.A THR 165.A O no hydrogen 3.776 N/A CYS 193.A SG.C ASN 194.A OD1 no hydrogen 3.886 N/A SER 197.A OG.B ASN 194.A O no hydrogen 2.750 N/A LEU 198.A N ASN 194.A O no hydrogen 2.900 N/A ARG 199.A N ALA 195.A O no hydrogen 3.037 N/A ARG 199.A NE GLY 11.A O no hydrogen 2.994 N/A ARG 199.A NH2 GLY 11.A O no hydrogen 3.019 N/A GLN 200.A N THR 196.A O no hydrogen 2.937 N/A GLU 201.A N SER 197.A O.A no hydrogen 2.761 N/A GLU 201.A N SER 197.A O.B no hydrogen 2.792 N/A SER 202.A N LEU 198.A O no hydrogen 3.222 N/A SER 202.A OG GLU 8.A O no hydrogen 2.775 N/A VAL 203.A N ARG 199.A O no hydrogen 3.278 N/A LYS 204.A N GLN 200.A O no hydrogen 3.014 N/A LYS 204.A NZ GLU 201.A OE2 no hydrogen 2.816 N/A LYS 205.A N GLU 201.A O no hydrogen 3.094 N/A LYS 205.A N SER 202.A O no hydrogen 3.182 N/A LEU 206.A N SER 202.A O no hydrogen 3.007 N/A ALA 207.A N VAL 203.A O no hydrogen 2.920 N/A GLU 209.A N LEU 206.A O no hydrogen 2.716 N/A ASP 211.A N ARG 257.A O no hydrogen 3.376 N/A MET 213.A N ASN 237.A O no hydrogen 3.121 N/A ILE 214.A N GLY 259.A O no hydrogen 2.859 N/A ILE 215.A N TYR 239.A O no hydrogen 2.938 N/A ILE 216.A N SER 261.A O no hydrogen 2.947 N/A GLY 217.A N ILE 241.A O no hydrogen 2.821 N/A LYS 219.A N GLU 242.A OE1 no hydrogen 2.879 N/A LYS 219.A NZ HIS 240.A O no hydrogen 2.752 N/A SER 221.A N GLY 218.A O no hydrogen 3.085 N/A SER 221.A OG THR 224.A OG1 no hydrogen 2.887 N/A THR 224.A N SER 221.A OG no hydrogen 3.396 N/A THR 224.A OG1 SER 221.A OG no hydrogen 2.887 N/A ARG 225.A N SER 221.A O no hydrogen 3.009 N/A ARG 226.A N GLY 222.A O no hydrogen 3.150 N/A LEU 227.A N ASN 223.A O no hydrogen 3.118 N/A TYR 228.A N THR 224.A O no hydrogen 2.809 N/A TYR 229.A N ARG 225.A O no hydrogen 2.934 N/A ILE 230.A N ARG 226.A O no hydrogen 2.932 N/A SER 231.A N LEU 227.A O no hydrogen 2.974 N/A SER 231.A OG THR 238.A OG1 no hydrogen 3.119 N/A LYS 232.A N TYR 228.A O no hydrogen 2.765 N/A LYS 232.A NZ PRO 236.A O no hydrogen 2.761 N/A GLU 233.A N TYR 229.A O no hydrogen 3.193 N/A LEU 234.A N SER 231.A O no hydrogen 3.246 N/A ASN 235.A N SER 231.A O no hydrogen 2.890 N/A ASN 235.A N LYS 232.A O no hydrogen 3.260 N/A ASN 237.A ND2 ASP 211.A O no hydrogen 2.938 N/A THR 238.A N PRO 236.A O no hydrogen 2.962 N/A THR 238.A OG1 SER 231.A OG no hydrogen 3.119 N/A THR 238.A OG1 ASN 235.A O no hydrogen 2.491 N/A TYR 239.A N MET 213.A O no hydrogen 2.816 N/A HIS 240.A NE2 GLY 217.A O no hydrogen 2.795 N/A ILE 241.A N ILE 215.A O no hydrogen 2.951 N/A GLU 242.A N GLU 246.A OE2 no hydrogen 2.804 N/A GLU 246.A N THR 243.A O no hydrogen 3.089 N/A LEU 247.A N ALA 244.A O no hydrogen 3.187 N/A TRP 251.A N GLN 248.A O no hydrogen 3.054 N/A PHE 252.A N PRO 249.A O no hydrogen 3.206 N/A VAL 255.A N PHE 252.A O no hydrogen 3.518 N/A LYS 256.A N ASP 211.A OD2 no hydrogen 2.693 N/A ARG 257.A N ASP 211.A OD2 no hydrogen 3.040 N/A ARG 257.A NE MET 1.A O no hydrogen 3.629 N/A VAL 258.A N ASP 3.A O no hydrogen 3.306 N/A GLY 259.A N VAL 212.A O no hydrogen 2.983 N/A ILE 260.A N ILE 5.A O no hydrogen 2.764 N/A SER 261.A N ILE 214.A O no hydrogen 2.954 N/A GLY 263.A N ILE 216.A O no hydrogen 2.803 N/A ALA 264.A N ASN 223.A OD1 no hydrogen 2.776 N/A THR 266.A N GLY 263.A O no hydrogen 3.135 N/A THR 266.A OG1 ILE 216.A O no hydrogen 3.558 N/A THR 266.A OG1 GLY 263.A O no hydrogen 3.511 N/A TRP 269.A NE1 GLU 46.A OE1 no hydrogen 3.010 N/A ILE 270.A N PRO 267.A O no hydrogen 3.176 N/A ILE 271.A N PRO 267.A O no hydrogen 3.349 N/A GLU 272.A N ASP 268.A O no hydrogen 2.741 N/A GLN 273.A N TRP 269.A O no hydrogen 2.892 N/A VAL 274.A N ILE 270.A O no hydrogen 3.126 N/A LYS 275.A N ILE 271.A O no hydrogen 3.055 N/A LYS 275.A NZ ILE 4.A O no hydrogen 3.097 N/A SER 276.A N GLU 272.A O no hydrogen 3.021 N/A SER 276.A OG GLU 272.A O no hydrogen 2.684 N/A ARG 277.A N GLN 273.A O no hydrogen 3.198 N/A ARG 277.A NH1 ALA 244.A O no hydrogen 3.064 N/A ILE 278.A N VAL 274.A O no hydrogen 2.995 N/A GLN 279.A N LYS 275.A O no hydrogen 2.966 N/A