Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x01_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ ASN 20.A OD1 no hydrogen 2.826 N/A LYS 3.A NZ THR 91.A OG1 no hydrogen 3.027 N/A LEU 12.A N GLU 9.A O no hydrogen 3.061 N/A SER 13.A N GLU 9.A O no hydrogen 3.307 N/A SER 13.A OG PHE 5.A O no hydrogen 2.760 N/A VAL 14.A N PRO 10.A O no hydrogen 3.093 N/A LEU 15.A N ILE 11.A O no hydrogen 2.968 N/A MET 16.A N LEU 12.A O no hydrogen 2.959 N/A TRP 17.A N SER 13.A O no hydrogen 2.813 N/A GLY 18.A N VAL 14.A O no hydrogen 2.743 N/A VAL 19.A N LEU 15.A O no hydrogen 2.945 N/A ASN 20.A N MET 16.A O no hydrogen 2.996 N/A HIS 21.A N TRP 17.A O no hydrogen 2.760 N/A THR 22.A N GLY 18.A O no hydrogen 2.737 N/A THR 22.A OG1 GLY 18.A O no hydrogen 2.840 N/A THR 22.A OG1 VAL 19.A O no hydrogen 3.363 N/A ILE 23.A N VAL 19.A O no hydrogen 2.985 N/A ASN 24.A N ASN 20.A O no hydrogen 3.110 N/A GLU 25.A N HIS 21.A O no hydrogen 3.109 N/A LEU 26.A N THR 22.A O no hydrogen 2.837 N/A SER 27.A N ILE 23.A O no hydrogen 3.029 N/A SER 27.A N ASN 24.A O no hydrogen 3.115 N/A SER 27.A OG ASN 24.A O no hydrogen 2.574 N/A ASN 28.A N GLU 25.A O no hydrogen 2.809 N/A VAL 29.A N LEU 26.A O no hydrogen 2.973 N/A MET 36.A N ASP 39.A OD2 no hydrogen 2.770 N/A ASP 39.A N MET 36.A O no hydrogen 2.936 N/A PHE 40.A N PRO 37.A O no hydrogen 3.082 N/A LYS 41.A N ASP 38.A O no hydrogen 2.864 N/A ALA 42.A N ASP 39.A O no hydrogen 3.456 N/A SER 44.A N GLU 66.A O no hydrogen 2.886 N/A ILE 46.A N PHE 64.A O no hydrogen 3.106 N/A VAL 48.A N PHE 62.A O no hydrogen 2.787 N/A ASN 50.A N SER 60.A O no hydrogen 2.558 N/A LYS 55.A NZ SER 60.A OG no hydrogen 3.204 N/A SER 60.A OG ASN 50.A O no hydrogen 2.964 N/A ARG 61.A NE ASP 49.A OD2 no hydrogen 3.195 N/A PHE 62.A N VAL 48.A O no hydrogen 3.120 N/A LYS 63.A N THR 151.A O no hydrogen 3.073 N/A PHE 64.A N ILE 46.A O no hydrogen 3.001 N/A LYS 65.A N ARG 149.A O no hydrogen 2.835 N/A GLU 66.A N SER 44.A O no hydrogen 2.797 N/A TYR 67.A N MET 147.A O no hydrogen 3.123 N/A CYS 68.A N ALA 42.A O no hydrogen 2.817 N/A CYS 68.A SG ASP 39.A O no hydrogen 3.619 N/A CYS 68.A SG PHE 40.A O no hydrogen 3.159 N/A CYS 68.A SG ALA 42.A O no hydrogen 3.818 N/A CYS 68.A SG HIS 122.A NE2 no hydrogen 3.781 N/A VAL 71.A N CYS 68.A O no hydrogen 2.917 N/A PHE 72.A N CYS 68.A O no hydrogen 3.192 N/A ARG 73.A N PRO 69.A O no hydrogen 2.970 N/A ARG 73.A NH1 VAL 29.A O no hydrogen 2.843 N/A ARG 73.A NH2 VAL 29.A O no hydrogen 3.502 N/A ARG 73.A NH2 PRO 30.A O no hydrogen 2.893 N/A ASN 74.A N MET 70.A O no hydrogen 3.109 N/A LEU 75.A N VAL 71.A O no hydrogen 2.854 N/A ARG 76.A N PHE 72.A O no hydrogen 2.948 N/A ARG 76.A NE LEU 145.A O no hydrogen 3.049 N/A ARG 76.A NH1 ASP 83.A OD1 no hydrogen 3.045 N/A GLU 77.A N ARG 73.A O no hydrogen 3.109 N/A ARG 78.A N ASN 74.A O no hydrogen 2.940 N/A ARG 78.A NE ASN 74.A OD1 no hydrogen 2.886 N/A PHE 79.A N LEU 75.A O no hydrogen 2.874 N/A GLY 80.A N GLU 77.A O no hydrogen 2.943 N/A ILE 81.A N ARG 76.A O no hydrogen 2.937 N/A GLN 84.A N ASP 82.A OD1 no hydrogen 2.800 N/A ASP 85.A N ASP 82.A OD1 no hydrogen 3.176 N/A TYR 86.A N ASP 82.A O no hydrogen 2.986 N/A TYR 86.A OH TYR 148.A OH no hydrogen 3.013 N/A GLN 87.A N ASP 83.A O no hydrogen 2.850 N/A GLN 87.A NE2 ASN 20.A O no hydrogen 3.270 N/A GLN 87.A NE2 ASN 20.A OD1 no hydrogen 3.245 N/A GLN 87.A NE2 ASN 24.A OD1 no hydrogen 2.796 N/A ASN 88.A N GLN 84.A O no hydrogen 2.835 N/A SER 89.A N ASP 85.A O no hydrogen 2.818 N/A SER 89.A OG ASP 85.A O no hydrogen 3.287 N/A SER 89.A OG ASP 105.A OD2 no hydrogen 2.566 N/A VAL 90.A N TYR 86.A O no hydrogen 3.296 N/A VAL 90.A N GLN 87.A O no hydrogen 3.137 N/A THR 91.A N GLN 87.A O no hydrogen 2.882 N/A THR 91.A N ASN 88.A O no hydrogen 3.217 N/A THR 91.A OG1 GLN 87.A O no hydrogen 2.907 N/A ARG 92.A N ASN 88.A O no hydrogen 2.950 N/A ILE 96.A N THR 102.A O no hydrogen 2.661 N/A ARG 99.A NE GLU 9.A OE1 no hydrogen 3.421 N/A ARG 99.A NH2 GLU 9.A OE1 no hydrogen 3.411 N/A LEU 101.A N ILE 110.A O no hydrogen 2.990 N/A THR 102.A N ILE 96.A O no hydrogen 3.043 N/A THR 103.A N PHE 108.A O no hydrogen 2.926 N/A THR 103.A OG1 ASP 105.A OD1 no hydrogen 2.712 N/A THR 103.A OG1 PHE 108.A O no hydrogen 3.361 N/A ARG 106.A N THR 103.A O no hydrogen 2.710 N/A ARG 106.A NH2 SER 167.A O no hydrogen 3.507 N/A ARG 106.A NH2 ARG 169.A O no hydrogen 3.082 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 3.250 N/A PHE 108.A N THR 103.A OG1 no hydrogen 3.097 N/A VAL 109.A N THR 162.A O no hydrogen 2.733 N/A ILE 110.A N LEU 101.A O no hydrogen 2.975 N/A LYS 111.A N VAL 160.A O no hydrogen 2.912 N/A THR 112.A N ARG 99.A O no hydrogen 3.265 N/A VAL 113.A N TYR 158.A O no hydrogen 2.889 N/A SER 114.A N ASP 117.A OD2 no hydrogen 2.930 N/A GLU 116.A N GLU 116.A OE2 no hydrogen 2.925 N/A ASP 117.A N SER 114.A OG no hydrogen 2.861 N/A VAL 118.A N SER 114.A O no hydrogen 3.257 N/A ALA 119.A N SER 115.A O no hydrogen 3.034 N/A GLU 120.A N GLU 116.A O no hydrogen 2.932 N/A MET 121.A N ASP 117.A O no hydrogen 2.957 N/A HIS 122.A N VAL 118.A O no hydrogen 3.185 N/A HIS 122.A ND1 VAL 118.A O no hydrogen 3.013 N/A ASN 123.A N ALA 119.A O no hydrogen 2.956 N/A ILE 124.A N GLU 120.A O no hydrogen 2.868 N/A LEU 125.A N HIS 122.A O no hydrogen 3.393 N/A TYR 128.A N ILE 124.A O no hydrogen 2.803 N/A TYR 128.A OH PRO 142.A O no hydrogen 2.558 N/A HIS 129.A N LEU 125.A O no hydrogen 2.843 N/A HIS 129.A NE2 ASN 74.A OD1 no hydrogen 2.649 N/A GLN 130.A N LYS 126.A O no hydrogen 3.031 N/A GLN 130.A NE2 GLU 134.A OE2 no hydrogen 3.175 N/A PHE 131.A N LYS 127.A O no hydrogen 2.893 N/A ILE 132.A N TYR 128.A O no hydrogen 2.869 N/A VAL 133.A N HIS 129.A O no hydrogen 2.927 N/A GLU 134.A N GLN 130.A O no hydrogen 3.098 N/A CYS 135.A N PHE 131.A O no hydrogen 3.180 N/A CYS 135.A SG PHE 131.A O no hydrogen 3.391 N/A CYS 135.A SG ILE 132.A O no hydrogen 3.996 N/A CYS 135.A SG ASN 138.A O no hydrogen 3.479 N/A HIS 136.A N VAL 133.A O no hydrogen 3.138 N/A GLY 137.A N ILE 132.A O no hydrogen 2.992 N/A ASN 138.A N CYS 135.A O no hydrogen 2.888 N/A THR 139.A OG1 ASP 226.A OD1 no hydrogen 2.858 N/A THR 139.A OG1 ASP 226.A OD2 no hydrogen 3.367 N/A LEU 140.A N ASP 226.A OD2 no hydrogen 2.755 N/A LEU 141.A N THR 139.A OG1 no hydrogen 3.076 N/A PHE 144.A N TYR 128.A OH no hydrogen 2.976 N/A LEU 145.A N VAL 161.A O no hydrogen 2.788 N/A TYR 148.A N MET 159.A O no hydrogen 2.720 N/A TYR 148.A OH TYR 86.A OH no hydrogen 3.013 N/A ARG 149.A N LYS 65.A O no hydrogen 2.875 N/A LEU 150.A N THR 157.A O no hydrogen 2.713 N/A THR 151.A N LYS 63.A O no hydrogen 2.858 N/A VAL 152.A N VAL 155.A O no hydrogen 3.072 N/A VAL 155.A N VAL 152.A O no hydrogen 2.993 N/A THR 157.A N LEU 150.A O no hydrogen 2.744 N/A MET 159.A N TYR 148.A O no hydrogen 2.833 N/A VAL 160.A N LYS 111.A O no hydrogen 2.989 N/A VAL 161.A N GLY 146.A O no hydrogen 2.822 N/A THR 162.A N VAL 109.A O no hydrogen 2.783 N/A ARG 163.A NE GLN 143.A OE1 no hydrogen 3.080 N/A ARG 163.A NH2 GLN 143.A OE1 no hydrogen 3.298 N/A ASN 164.A N ARG 107.A O no hydrogen 3.135 N/A ASN 164.A ND2 ARG 106.A O no hydrogen 3.023 N/A PHE 166.A N ASN 164.A OD1 no hydrogen 2.714 N/A SER 167.A OG ASP 273.A OD2 no hydrogen 2.874 N/A HIS 168.A N ASP 273.A OD1 no hydrogen 3.055 N/A HIS 168.A ND1 ASP 273.A OD1 no hydrogen 3.180 N/A ARG 169.A N SER 167.A OG no hydrogen 2.976 N/A HIS 173.A N ILE 244.A O no hydrogen 2.770 N/A HIS 173.A NE2 GLU 253.A OE1 no hydrogen 2.720 N/A ARG 174.A N ILE 244.A O no hydrogen 3.241 N/A ARG 174.A NE TYR 176.A OH no hydrogen 2.814 N/A ARG 174.A NE GLU 205.A OE2 no hydrogen 3.398 N/A ARG 174.A NH2 GLU 205.A OE2 no hydrogen 2.704 N/A TYR 176.A N VAL 242.A O no hydrogen 2.862 N/A TYR 176.A OH GLU 205.A OE1 no hydrogen 2.971 N/A TYR 176.A OH GLN 207.A OE1 no hydrogen 2.516 N/A ASP 177.A N PHE 197.A O no hydrogen 2.748 N/A LEU 178.A N LEU 240.A O no hydrogen 3.054 N/A LYS 179.A N ASP 199.A OD1 no hydrogen 3.101 N/A LYS 179.A N ASP 199.A OD2 no hydrogen 2.994 N/A ARG 183.A NE ASP 199.A OD1 no hydrogen 3.172 N/A ARG 183.A NH2 ASP 177.A OD1 no hydrogen 3.040 N/A ARG 183.A NH2 ASP 199.A OD1 no hydrogen 3.309 N/A ALA 185.A N ASP 201.A OD1 no hydrogen 2.837 N/A GLU 189.A N SER 186.A OG no hydrogen 2.613 N/A LYS 190.A N SER 186.A O no hydrogen 3.037 N/A ALA 191.A N LYS 188.A O no hydrogen 2.847 N/A LYS 192.A N GLU 189.A O no hydrogen 3.043 N/A THR 196.A N GLU 189.A OE2 no hydrogen 2.935 N/A THR 196.A OG1 GLU 189.A OE2 no hydrogen 3.461 N/A PHE 197.A N LYS 175.A O no hydrogen 2.872 N/A LYS 198.A N ASP 201.A OD1 no hydrogen 3.379 N/A ASN 200.A N ARG 183.A O no hydrogen 3.412 N/A PHE 202.A N LYS 198.A O no hydrogen 2.713 N/A LEU 203.A N ASP 199.A O no hydrogen 2.862 N/A ASN 204.A N ASN 200.A O no hydrogen 2.897 N/A GLU 205.A N ASP 201.A O no hydrogen 3.269 N/A GLY 206.A N LEU 203.A O no hydrogen 3.206 N/A GLN 207.A N PHE 202.A O no hydrogen 3.235 N/A LYS 208.A NZ ASN 312.A O no hydrogen 2.889 N/A LEU 209.A N ILE 313.A O no hydrogen 3.144 N/A VAL 211.A N THR 315.A O no hydrogen 3.016 N/A GLY 212.A N THR 315.A O no hydrogen 3.478 N/A LYS 216.A N GLY 212.A O no hydrogen 2.818 N/A LYS 216.A NZ LEU 314.A O no hydrogen 3.421 N/A LYS 217.A N GLU 213.A O no hydrogen 2.830 N/A ASN 218.A N GLU 214.A O no hydrogen 3.069 N/A PHE 219.A N SER 215.A O no hydrogen 2.947 N/A LEU 220.A N LYS 216.A O no hydrogen 2.980 N/A GLU 221.A N LYS 217.A O no hydrogen 3.007 N/A LYS 222.A N ASN 218.A O no hydrogen 3.073 N/A LYS 222.A NZ ASN 218.A OD1 no hydrogen 3.284 N/A LEU 223.A N PHE 219.A O no hydrogen 2.852 N/A LYS 224.A N LEU 220.A O no hydrogen 3.004 N/A LYS 224.A NZ GLU 228.A OE2 no hydrogen 3.103 N/A ARG 225.A N GLU 221.A O no hydrogen 3.263 N/A ASP 226.A N LYS 222.A O no hydrogen 2.856 N/A VAL 227.A N LEU 223.A O no hydrogen 2.835 N/A GLU 228.A N LYS 224.A O no hydrogen 3.099 N/A PHE 229.A N ARG 225.A O no hydrogen 2.933 N/A LEU 230.A N ASP 226.A O no hydrogen 2.982 N/A ALA 231.A N VAL 227.A O no hydrogen 2.892 N/A GLN 232.A N GLU 228.A O no hydrogen 3.086 N/A LEU 233.A N LEU 230.A O no hydrogen 3.101 N/A LYS 234.A N ALA 231.A O no hydrogen 2.678 N/A ILE 235.A N LEU 230.A O no hydrogen 2.981 N/A SER 239.A N ILE 294.A O no hydrogen 2.969 N/A SER 239.A OG ASP 177.A OD1 no hydrogen 2.596 N/A SER 239.A OG ASP 177.A OD2 no hydrogen 3.366 N/A LEU 240.A N LEU 178.A O no hydrogen 2.944 N/A LEU 241.A N ALA 292.A O no hydrogen 2.671 N/A VAL 242.A N TYR 176.A O no hydrogen 2.971 N/A GLY 243.A N PHE 290.A O no hydrogen 2.744 N/A ILE 244.A N ARG 174.A O no hydrogen 2.815 N/A HIS 245.A N VAL 288.A O no hydrogen 2.756 N/A HIS 245.A ND1 THR 171.A O no hydrogen 2.461 N/A ASP 246.A N HIS 173.A ND1 no hydrogen 3.000 N/A VAL 247.A N LYS 286.A O no hydrogen 3.012 N/A ARG 249.A N ASP 246.A OD1 no hydrogen 3.368 N/A ARG 249.A NE GLU 253.A OE2 no hydrogen 3.119 N/A ALA 250.A N ASP 246.A O no hydrogen 3.036 N/A GLU 251.A N VAL 247.A O no hydrogen 3.047 N/A GLN 252.A N ASP 248.A O no hydrogen 3.032 N/A GLN 252.A NE2 GLU 256.A OE1 no hydrogen 2.993 N/A GLU 253.A N ARG 249.A O no hydrogen 2.939 N/A GLU 254.A N ALA 250.A O no hydrogen 2.845 N/A MET 255.A N GLU 251.A O no hydrogen 3.067 N/A GLU 256.A N GLN 252.A O no hydrogen 2.933 N/A VAL 257.A N GLU 253.A O no hydrogen 2.859 N/A GLU 258.A N GLU 254.A O no hydrogen 2.849 N/A GLU 259.A N MET 255.A O no hydrogen 2.994 N/A ARG 260.A N GLU 256.A O no hydrogen 2.969 N/A ALA 261.A N VAL 257.A O no hydrogen 3.226 N/A GLU 262.A N GLU 258.A O no hydrogen 2.799 N/A ASP 263.A N GLU 259.A O no hydrogen 3.003 N/A SER 271.A N ASP 269.A OD2 no hydrogen 2.684 N/A SER 271.A OG ASP 269.A OD1 no hydrogen 3.477 N/A VAL 272.A N ASP 269.A O no hydrogen 2.779 N/A ASP 273.A N ASP 269.A O no hydrogen 2.880 N/A TYR 275.A OH LEU 141.A O no hydrogen 3.265 N/A ALA 276.A N ASP 273.A O no hydrogen 3.356 N/A MET 277.A N TYR 289.A O no hydrogen 2.822 N/A LYS 278.A NZ GLY 266.A O no hydrogen 3.432 N/A SER 279.A N GLU 287.A O no hydrogen 3.033 N/A SER 279.A OG GLU 287.A O no hydrogen 3.057 N/A HIS 280.A N HIS 210.A O no hydrogen 2.448 N/A SER 283.A OG HIS 210.A ND1 no hydrogen 3.384 N/A SER 283.A OG LYS 285.A O no hydrogen 3.248 N/A LYS 285.A NZ ASP 246.A OD2 no hydrogen 3.539 N/A GLU 287.A N SER 279.A OG no hydrogen 2.943 N/A VAL 288.A N HIS 245.A O no hydrogen 2.895 N/A TYR 289.A N MET 277.A O no hydrogen 2.939 N/A TYR 289.A OH GLU 287.A OE1 no hydrogen 2.324 N/A PHE 290.A N GLY 243.A O no hydrogen 2.851 N/A ALA 292.A N LEU 241.A O no hydrogen 3.185 N/A ILE 293.A N LEU 140.A O no hydrogen 2.845 N/A ILE 294.A N SER 239.A O no hydrogen 2.766 N/A THR 298.A N GLU 120.A OE1 no hydrogen 3.525 N/A TYR 302.A OH TYR 238.A O no hydrogen 3.081 N/A SER 303.A N PRO 299.A O no hydrogen 2.989 N/A SER 303.A OG GLU 300.A O no hydrogen 2.418 N/A LYS 304.A N GLU 300.A O no hydrogen 3.259 N/A ARG 305.A N GLN 301.A O no hydrogen 2.907 N/A PHE 306.A N TYR 302.A O no hydrogen 2.656 N/A ASN 307.A N SER 303.A O no hydrogen 2.658 N/A GLU 308.A N LYS 304.A O no hydrogen 2.919 N/A PHE 309.A N ARG 305.A O no hydrogen 3.379 N/A MET 310.A N PHE 306.A O no hydrogen 3.503 N/A SER 311.A N ASN 307.A O no hydrogen 3.025 N/A ASN 312.A N GLU 308.A O no hydrogen 3.030 N/A ASN 312.A N PHE 309.A O no hydrogen 2.806 N/A ILE 313.A N MET 310.A O no hydrogen 3.224 N/A THR 315.A N LEU 209.A O no hydrogen 2.793 N/A