Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 8.A N ASN 32.A OD1 no hydrogen 3.239 N/A SER 8.A OG ASN 32.A OD1 no hydrogen 3.302 N/A ARG 11.A N LYS 30.A O no hydrogen 3.283 N/A GLN 13.A N HIS 28.A O no hydrogen 3.133 N/A LYS 14.A N HIS 28.A O no hydrogen 3.446 N/A ARG 17.A N PHE 26.A O no hydrogen 3.458 N/A ARG 17.A NH2 LEU 100.A O no hydrogen 3.410 N/A SER 19.A N ILE 24.A O no hydrogen 3.148 N/A ARG 21.A NE ASP 22.A OD1 no hydrogen 2.852 N/A ARG 21.A NH2 ASP 22.A OD1 no hydrogen 3.046 N/A ASP 22.A N SER 19.A OG no hydrogen 3.182 N/A LYS 23.A NZ ARG 21.A O no hydrogen 2.752 N/A ILE 24.A N SER 19.A O no hydrogen 3.330 N/A ILE 25.A N LEU 40.A O no hydrogen 3.099 N/A PHE 26.A N ARG 17.A O no hydrogen 2.774 N/A LEU 27.A N VAL 38.A O no hydrogen 2.828 N/A HIS 28.A N LYS 14.A O no hydrogen 3.114 N/A HIS 28.A NE2 ASP 35.A OD1 no hydrogen 2.988 N/A GLY 29.A N ALA 36.A O no hydrogen 3.067 N/A LYS 30.A N ARG 11.A O no hydrogen 2.990 N/A VAL 31.A N GLU 34.A O no hydrogen 2.949 N/A ASN 32.A N SER 8.A O no hydrogen 3.278 N/A ASN 32.A ND2 GLU 34.A OE2 no hydrogen 2.982 N/A ALA 36.A N GLY 29.A O no hydrogen 3.098 N/A VAL 37.A N VAL 88.A O no hydrogen 3.126 N/A VAL 38.A N LEU 27.A O no hydrogen 3.003 N/A ILE 39.A N THR 86.A O no hydrogen 2.842 N/A LEU 40.A N ILE 25.A O no hydrogen 3.197 N/A GLU 41.A N LYS 84.A O no hydrogen 2.898 N/A LYS 42.A N LYS 23.A O no hydrogen 3.156 N/A THR 43.A OG1 ASP 82.A O no hydrogen 2.735 N/A GLN 49.A NE2 GLN 46.A OE1 no hydrogen 2.645 N/A VAL 50.A N GLN 46.A O no hydrogen 3.371 N/A ALA 51.A N VAL 47.A O no hydrogen 3.264 N/A GLN 52.A N GLU 48.A O no hydrogen 3.225 N/A LEU 53.A N GLN 49.A O no hydrogen 3.094 N/A LEU 54.A N VAL 50.A O no hydrogen 3.225 N/A THR 55.A N ALA 51.A O no hydrogen 3.319 N/A GLN 61.A N HIS 73.A O no hydrogen 3.042 N/A GLN 61.A NE2 LEU 62.A O no hydrogen 3.137 N/A GLN 63.A N THR 71.A O no hydrogen 2.873 N/A PHE 64.A N THR 71.A O no hydrogen 3.399 N/A ASN 66.A N TYR 69.A O no hydrogen 2.914 N/A TYR 69.A N ASN 66.A O no hydrogen 3.119 N/A SER 70.A OG TYR 72.A OH no hydrogen 3.359 N/A THR 71.A N PHE 64.A O no hydrogen 2.875 N/A TYR 72.A OH SER 70.A OG no hydrogen 3.359 N/A HIS 73.A N GLN 61.A O no hydrogen 2.925 N/A PHE 75.A N GLU 59.A O no hydrogen 3.013 N/A GLN 79.A NE2 GLN 46.A OE1 no hydrogen 3.315 N/A LEU 80.A N PRO 77.A O no hydrogen 3.206 N/A ASN 81.A N ARG 78.A O no hydrogen 3.079 N/A ASN 81.A ND2 PRO 76.A O no hydrogen 3.292 N/A THR 85.A OG1 VAL 83.A O no hydrogen 3.016 N/A THR 86.A N ILE 39.A O no hydrogen 2.854 N/A VAL 88.A N VAL 37.A O no hydrogen 2.824 N/A TYR 89.A OH GLU 34.A OE1 no hydrogen 3.168 N/A TYR 89.A OH GLU 34.A OE2 no hydrogen 2.696 N/A ALA 91.A N ASP 35.A O no hydrogen 3.141 N/A THR 92.A OG1 HIS 95.A ND1 no hydrogen 2.785 N/A HIS 95.A ND1 THR 92.A OG1 no hydrogen 2.785 N/A LEU 96.A N THR 92.A O no hydrogen 3.310 N/A GLN 97.A N GLU 93.A O no hydrogen 3.328 N/A GLN 97.A NE2 GLU 93.A OE2 no hydrogen 2.590 N/A TYR 99.A N HIS 95.A O no hydrogen 3.413 N/A LEU 100.A N LEU 96.A O no hydrogen 3.156 N/A ARG 101.A N LEU 16.A O no hydrogen 3.221 N/A ARG 105.A N LEU 269.A O no hydrogen 2.816 N/A ILE 107.A N PHE 267.A O no hydrogen 2.825 N/A ARG 108.A NE THR 266.A OG1 no hydrogen 3.024 N/A GLU 109.A N MET 265.A O no hydrogen 2.727 N/A THR 110.A N ASP 113.A OD2 no hydrogen 3.086 N/A ASP 113.A N THR 110.A OG1 no hydrogen 3.103 N/A TYR 114.A N THR 110.A O no hydrogen 3.009 N/A ARG 115.A N GLY 111.A O no hydrogen 3.140 N/A ARG 115.A NH1 GLN 261.A O no hydrogen 3.005 N/A ARG 115.A NH2 ASP 112.A OD1 no hydrogen 3.059 N/A ARG 115.A NH2 GLN 261.A O no hydrogen 3.527 N/A ASN 116.A N ASP 112.A O no hydrogen 2.857 N/A ILE 117.A N ASP 113.A O no hydrogen 2.837 N/A THR 118.A N ASP 113.A O no hydrogen 3.146 N/A THR 118.A OG1 GLU 109.A OE1 no hydrogen 2.695 N/A LEU 119.A N TYR 114.A O no hydrogen 2.935 N/A HIS 121.A N ILE 117.A O no hydrogen 3.100 N/A LEU 122.A N THR 118.A O no hydrogen 2.935 N/A GLU 123.A N LEU 119.A O no hydrogen 2.922 N/A SER 124.A N PRO 120.A O no hydrogen 3.025 N/A SER 124.A OG HIS 121.A O no hydrogen 2.707 N/A GLN 125.A N HIS 121.A O no hydrogen 3.260 N/A GLN 130.A N SER 128.A OG no hydrogen 3.136 N/A GLN 130.A NE2 ASN 134.A OD1 no hydrogen 2.987 N/A VAL 132.A N ILE 129.A O no hydrogen 2.874 N/A TYR 133.A N ILE 129.A O no hydrogen 3.279 N/A ASN 134.A N GLN 130.A O no hydrogen 2.848 N/A ILE 135.A N TRP 131.A O no hydrogen 3.273 N/A LEU 136.A N VAL 132.A O no hydrogen 3.038 N/A ASP 137.A N TYR 133.A O no hydrogen 2.845 N/A LYS 138.A N ILE 135.A O no hydrogen 3.212 N/A LYS 138.A NZ GLU 148.A OE1 no hydrogen 2.579 N/A LYS 139.A N ASN 134.A O no hydrogen 2.775 N/A ARG 144.A N GLU 141.A O no hydrogen 3.010 N/A ILE 145.A N ALA 142.A O no hydrogen 3.365 N/A VAL 146.A N LEU 158.A O no hydrogen 2.807 N/A ASN 149.A N PHE 156.A O no hydrogen 2.942 N/A ASN 149.A ND2 GLN 203.A OE1 no hydrogen 2.784 N/A ASP 151.A N ASN 149.A OD1 no hydrogen 2.978 N/A SER 153.A N ASP 151.A OD1 no hydrogen 3.120 N/A SER 153.A OG ASP 151.A OD1 no hydrogen 3.066 N/A SER 153.A OG ASP 154.A OD1 no hydrogen 3.094 N/A ASP 154.A N ASP 151.A OD1 no hydrogen 2.952 N/A PHE 156.A N ASN 149.A O no hydrogen 2.897 N/A VAL 157.A N ILE 177.A O no hydrogen 2.946 N/A LEU 158.A N PHE 147.A O no hydrogen 2.809 N/A ILE 159.A N ILE 175.A O no hydrogen 2.883 N/A ASP 161.A N TYR 173.A O no hydrogen 2.928 N/A LYS 163.A N ASP 161.A OD1 no hydrogen 3.222 N/A LYS 163.A NZ ASP 161.A OD1 no hydrogen 3.125 N/A LYS 163.A NZ ASP 161.A OD2 no hydrogen 3.235 N/A TRP 164.A NE1 GLN 168.A O no hydrogen 3.188 N/A GLN 167.A NE2 ASN 165.A O no hydrogen 3.667 N/A GLN 168.A NE2 GLN 168.A O no hydrogen 3.603 N/A GLN 168.A NE2 ASP 171.A OD2 no hydrogen 2.763 N/A LEU 172.A N LEU 169.A O no hydrogen 3.216 N/A LEU 174.A N PHE 236.A O no hydrogen 2.854 N/A ILE 175.A N ILE 159.A O no hydrogen 2.848 N/A ALA 176.A N VAL 234.A O no hydrogen 2.814 N/A ILE 177.A N VAL 157.A O no hydrogen 2.906 N/A CYS 178.A SG ARG 180.A O no hydrogen 3.443 N/A CYS 178.A SG HIS 231.A NE2 no hydrogen 3.614 N/A CYS 178.A SG LEU 232.A O no hydrogen 3.834 N/A HIS 179.A N GLY 155.A O no hydrogen 3.082 N/A HIS 179.A NE2 GLU 148.A OE2 no hydrogen 2.681 N/A ARG 180.A NH1 GLU 192.A OE1 no hydrogen 3.072 N/A ARG 180.A NH2 GLU 192.A OE1 no hydrogen 2.802 N/A ARG 184.A N ASP 188.A OD2 no hydrogen 2.910 N/A ARG 184.A NE ASP 188.A OD2 no hydrogen 2.818 N/A ARG 184.A NH2 ASP 188.A OD1 no hydrogen 3.296 N/A ARG 184.A NH2 ASP 188.A OD2 no hydrogen 3.148 N/A ARG 187.A N SER 185.A OG no hydrogen 3.175 N/A ARG 187.A NE GLU 109.A OE2 no hydrogen 2.884 N/A ARG 187.A NH1 TYR 260.A O no hydrogen 2.884 N/A ARG 187.A NH1 ARG 263.A O no hydrogen 2.901 N/A ARG 187.A NH2 GLU 109.A OE2 no hydrogen 2.776 N/A ARG 187.A NH2 ARG 263.A O no hydrogen 3.322 N/A ASP 188.A N SER 185.A O no hydrogen 3.010 N/A LEU 189.A N LEU 186.A O no hydrogen 3.074 N/A GLU 192.A N THR 190.A OG1 no hydrogen 3.303 N/A HIS 193.A N THR 190.A O no hydrogen 3.005 N/A LEU 194.A N PRO 191.A O no hydrogen 3.018 N/A LEU 197.A N HIS 193.A O no hydrogen 2.991 N/A ARG 198.A N LEU 194.A O no hydrogen 2.933 N/A ARG 198.A NH2 GLU 254.A OE2 no hydrogen 2.688 N/A ASN 199.A N PRO 195.A O no hydrogen 2.992 N/A ASN 199.A ND2 ASP 154.A O no hydrogen 2.939 N/A ILE 200.A N LEU 196.A O no hydrogen 2.990 N/A LEU 201.A N LEU 197.A O no hydrogen 3.003 N/A HIS 202.A N ARG 198.A O no hydrogen 2.902 N/A GLN 203.A N ASN 199.A O no hydrogen 2.721 N/A GLY 204.A N ILE 200.A O no hydrogen 3.054 N/A GLN 205.A N LEU 201.A O no hydrogen 3.203 N/A GLU 206.A N HIS 202.A O no hydrogen 2.958 N/A ALA 207.A N GLN 203.A O no hydrogen 2.965 N/A ILE 208.A N GLY 204.A O no hydrogen 3.163 N/A LEU 209.A N GLN 205.A O no hydrogen 2.949 N/A GLN 210.A N GLU 206.A O no hydrogen 3.143 N/A ARG 211.A N ALA 207.A O no hydrogen 2.957 N/A ARG 211.A NH1 ARG 211.A O no hydrogen 3.237 N/A TYR 212.A N ILE 208.A O no hydrogen 2.859 N/A ARG 213.A NE LEU 209.A O no hydrogen 3.129 N/A ARG 213.A NH2 LEU 209.A O no hydrogen 3.262 N/A HIS 218.A N LYS 215.A O no hydrogen 3.051 N/A HIS 218.A ND1 ASP 217.A OD1 no hydrogen 2.977 N/A LEU 219.A N GLY 216.A O no hydrogen 2.914 N/A ARG 220.A N THR 237.A O no hydrogen 2.783 N/A ARG 220.A NH1 THR 237.A OG1 no hydrogen 2.878 N/A ARG 220.A NH1 ALA 238.A O no hydrogen 2.910 N/A ARG 220.A NH2 LEU 239.A O no hydrogen 3.091 N/A TYR 222.A N HIS 235.A O no hydrogen 2.983 N/A LEU 223.A N HIS 244.A O no hydrogen 2.858 N/A TYR 225.A N ARG 242.A O no hydrogen 3.138 N/A TYR 225.A OH GLU 109.A OE1 no hydrogen 2.833 N/A TYR 225.A OH GLU 109.A OE2 no hydrogen 2.899 N/A HIS 231.A NE2 CYS 178.A O no hydrogen 2.743 N/A LEU 232.A N ILE 183.A O no hydrogen 2.841 N/A HIS 233.A ND1 HIS 231.A O no hydrogen 2.735 N/A VAL 234.A N ALA 176.A O no hydrogen 2.870 N/A HIS 235.A N TYR 222.A O no hydrogen 2.765 N/A PHE 236.A N LEU 174.A O no hydrogen 2.847 N/A THR 237.A N ARG 220.A O no hydrogen 2.924 N/A THR 237.A OG1 ALA 238.A O no hydrogen 3.505 N/A ALA 238.A N LEU 172.A O no hydrogen 3.002 N/A LEU 239.A N HIS 218.A O no hydrogen 2.948 N/A PHE 241.A N ALA 238.A O no hydrogen 3.319 N/A HIS 244.A N LEU 223.A O no hydrogen 2.769 N/A LEU 246.A N VAL 221.A O no hydrogen 2.891 N/A VAL 249.A N LEU 245.A O no hydrogen 2.921 N/A ILE 250.A N LEU 246.A O no hydrogen 2.985 N/A GLU 251.A N ALA 247.A O no hydrogen 3.207 N/A ASN 252.A N GLU 248.A O no hydrogen 2.878 N/A ASN 252.A ND2 TYR 260.A OH no hydrogen 2.875 N/A LEU 253.A N VAL 249.A O no hydrogen 3.157 N/A GLU 254.A N ILE 250.A O no hydrogen 3.042 N/A CYS 255.A N GLU 251.A O no hydrogen 3.030 N/A CYS 255.A N ASN 252.A O no hydrogen 3.270 N/A CYS 255.A SG GLU 251.A O no hydrogen 3.270 N/A ASP 256.A N ASN 252.A O no hydrogen 2.782 N/A HIS 259.A N ASP 256.A O no hydrogen 3.054 N/A GLN 261.A N ARG 258.A O no hydrogen 3.028 N/A GLN 261.A NE2 ARG 187.A O no hydrogen 2.844 N/A GLN 261.A NE2 LEU 189.A O no hydrogen 3.000 N/A GLN 262.A N ARG 258.A O no hydrogen 2.936 N/A GLN 262.A N HIS 259.A O no hydrogen 3.348 N/A ARG 263.A N HIS 259.A O no hydrogen 2.921 N/A MET 265.A N GLU 109.A O no hydrogen 2.874 N/A PHE 267.A N ILE 107.A O no hydrogen 3.032 N/A LEU 269.A N ARG 105.A O no hydrogen 2.936 N/A ALA 271.A N ASP 103.A O no hydrogen 2.829 N/A ASP 273.A N ARG 270.A O no hydrogen 3.003 N/A LEU 275.A N ASP 273.A OD2 no hydrogen 2.885 N/A LEU 276.A N ASP 273.A O no hydrogen 2.940 N/A LYS 277.A N ASP 273.A O no hydrogen 3.427 N/A LEU 278.A N PRO 274.A O no hydrogen 3.015 N/A LEU 279.A N LEU 275.A O no hydrogen 2.930 N/A GLN 280.A N LEU 276.A O no hydrogen 2.934 N/A GLU 281.A N LYS 277.A O no hydrogen 3.023 N/A ALA 282.A N LEU 278.A O no hydrogen 3.215 N/A GLN 283.A N LEU 279.A O no hydrogen 3.077 N/A GLN 283.A NE2 ARG 108.A O no hydrogen 2.724 N/A GLN 283.A NE2 ASP 113.A OD2 no hydrogen 2.798 N/A GLN 284.A NE2 GLN 280.A O no hydrogen 3.254 N/A