Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7au3_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N HIS 2.A ND1 no hydrogen 3.277 N/A TRP 12.A N SER 10.A OG no hydrogen 3.075 N/A TRP 12.A NE1 ASP 64.A OD2 no hydrogen 3.038 N/A PHE 15.A N ILE 11.A O no hydrogen 3.145 N/A GLY 16.A N TRP 12.A O no hydrogen 2.944 N/A ALA 17.A N PRO 13.A O no hydrogen 3.029 N/A ILE 18.A N PHE 14.A O no hydrogen 3.000 N/A GLY 19.A N PHE 15.A O no hydrogen 2.794 N/A ALA 20.A N GLY 16.A O no hydrogen 2.918 N/A PHE 21.A N ALA 17.A O no hydrogen 2.899 N/A VAL 22.A N ILE 18.A O no hydrogen 2.902 N/A MET 23.A N GLY 19.A O no hydrogen 2.672 N/A LEU 24.A N ALA 20.A O no hydrogen 2.985 N/A THR 25.A N PHE 21.A O no hydrogen 2.970 N/A THR 25.A OG1 PHE 21.A O no hydrogen 3.301 N/A GLY 26.A N VAL 22.A O no hydrogen 2.915 N/A ALA 27.A N MET 23.A O no hydrogen 2.818 N/A VAL 28.A N LEU 24.A O no hydrogen 3.156 N/A ALA 29.A N THR 25.A O no hydrogen 3.067 N/A TRP 30.A N GLY 26.A O no hydrogen 2.815 N/A MET 31.A N ALA 27.A O no hydrogen 3.334 N/A LYS 32.A N VAL 28.A O no hydrogen 2.813 N/A GLY 33.A N VAL 28.A O no hydrogen 3.316 N/A ILE 34.A N VAL 41.A O no hydrogen 3.163 N/A VAL 41.A N ILE 34.A O no hydrogen 2.865 N/A LEU 48.A N PRO 44.A O no hydrogen 2.902 N/A ILE 49.A N TRP 45.A O no hydrogen 2.939 N/A GLY 50.A N MET 46.A O no hydrogen 3.074 N/A LEU 51.A N PHE 47.A O no hydrogen 2.900 N/A VAL 52.A N LEU 48.A O no hydrogen 2.938 N/A GLY 53.A N ILE 49.A O no hydrogen 2.917 N/A VAL 54.A N GLY 50.A O no hydrogen 2.671 N/A LEU 55.A N LEU 51.A O no hydrogen 2.519 N/A TYR 56.A N VAL 52.A O no hydrogen 2.636 N/A VAL 57.A N GLY 53.A O no hydrogen 2.885 N/A MET 58.A N VAL 54.A O no hydrogen 3.078 N/A PHE 59.A N LEU 55.A O no hydrogen 3.096 N/A GLY 60.A N TYR 56.A O no hydrogen 3.281 N/A TRP 61.A N VAL 57.A O no hydrogen 2.924 N/A TRP 62.A N MET 58.A O no hydrogen 3.109 N/A ALA 63.A N PHE 59.A O no hydrogen 3.013 N/A ASP 64.A N GLY 60.A O no hydrogen 3.101 N/A VAL 65.A N TRP 61.A O no hydrogen 2.930 N/A VAL 66.A N TRP 62.A O no hydrogen 2.829 N/A ASN 67.A N ALA 63.A O no hydrogen 2.646 N/A GLU 68.A N ASP 64.A O no hydrogen 2.813 N/A GLY 69.A N VAL 65.A O no hydrogen 3.143 N/A GLU 70.A N VAL 66.A O no hydrogen 3.070 N/A THR 71.A N ASN 67.A O no hydrogen 2.994 N/A THR 71.A OG1 ASN 67.A O no hydrogen 3.229 N/A THR 71.A OG1 GLU 68.A O no hydrogen 2.852 N/A GLY 72.A N GLY 69.A O no hydrogen 3.288 N/A GLU 73.A N GLU 68.A O no hydrogen 3.077 N/A THR 75.A N GLU 73.A O no hydrogen 2.881 N/A THR 75.A OG1 ASP 3.A O no hydrogen 3.182 N/A ARG 79.A N THR 75.A O no hydrogen 3.017 N/A ARG 79.A NH1 HIS 74.A O no hydrogen 2.687 N/A ILE 80.A N PRO 76.A O no hydrogen 3.192 N/A GLY 81.A N VAL 77.A O no hydrogen 3.131 N/A LEU 82.A N VAL 78.A O no hydrogen 2.893 N/A GLN 83.A N ARG 79.A O no hydrogen 2.888 N/A TYR 84.A N ILE 80.A O no hydrogen 3.089 N/A GLY 85.A N GLY 81.A O no hydrogen 3.019 N/A PHE 86.A N LEU 82.A O no hydrogen 3.136 N/A ILE 87.A N GLN 83.A O no hydrogen 3.214 N/A LEU 88.A N TYR 84.A O no hydrogen 2.963 N/A PHE 89.A N GLY 85.A O no hydrogen 2.970 N/A ILE 90.A N PHE 86.A O no hydrogen 2.968 N/A MET 91.A N ILE 87.A O no hydrogen 3.075 N/A SER 92.A N LEU 88.A O no hydrogen 3.225 N/A GLU 93.A N PHE 89.A O no hydrogen 2.991 N/A VAL 94.A N ILE 90.A O no hydrogen 2.765 N/A MET 95.A N MET 91.A O no hydrogen 2.984 N/A PHE 96.A N SER 92.A O no hydrogen 3.243 N/A PHE 97.A N GLU 93.A O no hydrogen 3.319 N/A VAL 98.A N VAL 94.A O no hydrogen 2.971 N/A ALA 99.A N MET 95.A O no hydrogen 3.356 N/A ALA 99.A N PHE 96.A O no hydrogen 3.273 N/A PHE 101.A N PHE 97.A O no hydrogen 3.033 N/A TRP 102.A N VAL 98.A O no hydrogen 2.966 N/A ALA 103.A N ALA 99.A O no hydrogen 3.139 N/A PHE 104.A N TRP 100.A O no hydrogen 3.048 N/A ILE 105.A N PHE 101.A O no hydrogen 2.935 N/A LYS 106.A N TRP 102.A O no hydrogen 3.052 N/A ASN 107.A N ALA 103.A O no hydrogen 3.200 N/A ALA 108.A N PHE 104.A O no hydrogen 3.022 N/A LEU 109.A N ILE 105.A O no hydrogen 2.808 N/A TYR 110.A N LYS 106.A O no hydrogen 2.911 N/A GLY 113.A N SER 116.A OG no hydrogen 2.777 N/A SER 116.A N GLY 113.A O no hydrogen 3.333 N/A SER 116.A OG GLY 113.A O no hydrogen 3.310 N/A SER 116.A OG LYS 119.A O no hydrogen 3.102 N/A LYS 119.A N ASP 115.A O no hydrogen 3.130 N/A GLY 121.A N PRO 111.A O no hydrogen 2.833 N/A ILE 128.A N PRO 125.A O no hydrogen 2.954 N/A HIS 135.A N ASP 132.A O no hydrogen 3.328 N/A ASN 140.A N LEU 136.A O no hydrogen 2.878 N/A ASN 140.A ND2 PHE 181.A O no hydrogen 3.397 N/A THR 141.A N PRO 137.A O no hydrogen 2.954 N/A THR 141.A OG1 PRO 137.A O no hydrogen 2.915 N/A LEU 142.A N LEU 138.A O no hydrogen 3.063 N/A ILE 143.A N ILE 139.A O no hydrogen 2.817 N/A LEU 144.A N ASN 140.A O no hydrogen 2.988 N/A LEU 145.A N THR 141.A O no hydrogen 2.893 N/A LEU 146.A N LEU 142.A O no hydrogen 2.877 N/A SER 147.A N ILE 143.A O no hydrogen 3.121 N/A SER 147.A OG ALA 174.A O no hydrogen 2.866 N/A GLY 148.A N LEU 144.A O no hydrogen 2.967 N/A VAL 149.A N LEU 145.A O no hydrogen 2.959 N/A ALA 150.A N LEU 146.A O no hydrogen 2.773 N/A VAL 151.A N SER 147.A O no hydrogen 2.935 N/A THR 152.A N GLY 148.A O no hydrogen 2.801 N/A THR 152.A OG1 GLY 148.A O no hydrogen 2.872 N/A THR 152.A OG1 HIS 251.A NE2 no hydrogen 3.269 N/A TRP 153.A N VAL 149.A O no hydrogen 2.880 N/A ALA 154.A N ALA 150.A O no hydrogen 2.982 N/A HIS 155.A N VAL 151.A O no hydrogen 2.912 N/A HIS 156.A N THR 152.A O no hydrogen 2.988 N/A ALA 157.A N TRP 153.A O no hydrogen 2.839 N/A PHE 158.A N ALA 154.A O no hydrogen 2.826 N/A VAL 159.A N HIS 155.A O no hydrogen 2.870 N/A LEU 160.A N HIS 156.A O no hydrogen 2.705 N/A ASP 163.A N ALA 157.A O no hydrogen 3.466 N/A ARG 164.A NE LEU 230.A O no hydrogen 3.409 N/A ARG 164.A NH1 MET 235.A O no hydrogen 2.569 N/A ARG 164.A NH2 LEU 230.A O no hydrogen 2.835 N/A THR 166.A OG1 ASP 163.A OD2 no hydrogen 2.837 N/A THR 167.A N ASP 163.A O no hydrogen 3.066 N/A THR 167.A OG1 ALA 154.A O no hydrogen 3.147 N/A THR 167.A OG1 ASP 163.A O no hydrogen 2.775 N/A ILE 168.A N ARG 164.A O no hydrogen 2.914 N/A ASN 169.A N LYS 165.A O no hydrogen 3.076 N/A GLY 170.A N THR 166.A O no hydrogen 3.149 N/A LEU 171.A N THR 167.A O no hydrogen 3.174 N/A ILE 172.A N ILE 168.A O no hydrogen 2.878 N/A VAL 173.A N ASN 169.A O no hydrogen 2.876 N/A ALA 174.A N GLY 170.A O no hydrogen 2.680 N/A VAL 175.A N LEU 171.A O no hydrogen 2.766 N/A ILE 176.A N ILE 172.A O no hydrogen 3.035 N/A LEU 177.A N VAL 173.A O no hydrogen 2.895 N/A GLY 178.A N ALA 174.A O no hydrogen 2.873 N/A VAL 179.A N VAL 175.A O no hydrogen 2.895 N/A CYS 180.A N ILE 176.A O no hydrogen 2.815 N/A CYS 180.A SG ILE 176.A O no hydrogen 3.097 N/A PHE 181.A N LEU 177.A O no hydrogen 2.796 N/A THR 182.A N GLY 178.A O no hydrogen 2.987 N/A THR 182.A OG1 GLY 178.A O no hydrogen 3.294 N/A GLY 183.A N VAL 179.A O no hydrogen 2.947 N/A LEU 184.A N CYS 180.A O no hydrogen 2.882 N/A GLN 185.A N PHE 181.A O no hydrogen 2.917 N/A GLN 185.A NE2 TYR 189.A OH no hydrogen 3.196 N/A GLN 185.A NE2 THR 209.A O no hydrogen 2.928 N/A ALA 186.A N THR 182.A O no hydrogen 2.862 N/A TYR 187.A N GLY 183.A O no hydrogen 2.876 N/A GLU 188.A N LEU 184.A O no hydrogen 2.896 N/A TYR 189.A N GLN 185.A O no hydrogen 2.896 N/A TYR 189.A OH THR 209.A OG1 no hydrogen 2.610 N/A SER 190.A N ALA 186.A O no hydrogen 2.937 N/A SER 190.A OG TYR 187.A O no hydrogen 3.105 N/A SER 190.A OG HIS 191.A ND1 no hydrogen 2.790 N/A HIS 191.A N TYR 187.A O no hydrogen 3.135 N/A HIS 191.A ND1 SER 190.A OG no hydrogen 2.790 N/A ALA 192.A N TYR 189.A O no hydrogen 3.338 N/A ASP 198.A N GLY 195.A O no hydrogen 2.923 N/A THR 199.A OG1 ASP 198.A O no hydrogen 2.714 N/A GLY 203.A N THR 199.A O no hydrogen 3.310 N/A ALA 204.A N VAL 200.A O no hydrogen 3.028 N/A PHE 205.A N TYR 201.A O no hydrogen 2.887 N/A TYR 206.A N ALA 202.A O no hydrogen 3.018 N/A TYR 206.A OH PHE 194.A O no hydrogen 2.693 N/A MET 207.A N GLY 203.A O no hydrogen 2.923 N/A ALA 208.A N ALA 204.A O no hydrogen 3.002 N/A THR 209.A N PHE 205.A O no hydrogen 2.872 N/A THR 209.A OG1 TYR 189.A OH no hydrogen 2.610 N/A THR 209.A OG1 PHE 205.A O no hydrogen 2.704 N/A GLY 210.A N TYR 206.A O no hydrogen 2.631 N/A PHE 211.A N MET 207.A O no hydrogen 2.974 N/A HIS 212.A N ALA 208.A O no hydrogen 3.237 N/A HIS 212.A NE2 VAL 253.A O no hydrogen 2.892 N/A GLY 213.A N THR 209.A O no hydrogen 2.882 N/A ALA 214.A N GLY 210.A O no hydrogen 3.000 N/A HIS 215.A N PHE 211.A O no hydrogen 3.039 N/A HIS 215.A ND1 PHE 211.A O no hydrogen 2.887 N/A VAL 216.A N HIS 212.A O no hydrogen 2.760 N/A ILE 217.A N GLY 213.A O no hydrogen 2.916 N/A ILE 218.A N ALA 214.A O no hydrogen 3.014 N/A GLY 219.A N HIS 215.A O no hydrogen 2.984 N/A THR 220.A N VAL 216.A O no hydrogen 2.921 N/A THR 220.A OG1 VAL 216.A O no hydrogen 2.722 N/A ILE 221.A N ILE 217.A O no hydrogen 2.971 N/A PHE 222.A N ILE 218.A O no hydrogen 2.896 N/A LEU 223.A N GLY 219.A O no hydrogen 2.897 N/A PHE 224.A N THR 220.A O no hydrogen 2.900 N/A VAL 225.A N ILE 221.A O no hydrogen 2.817 N/A CYS 226.A N PHE 222.A O no hydrogen 3.080 N/A CYS 226.A SG PHE 222.A O no hydrogen 3.195 N/A CYS 226.A SG GLY 242.A O no hydrogen 3.556 N/A LEU 227.A N LEU 223.A O no hydrogen 2.857 N/A ILE 228.A N PHE 224.A O no hydrogen 2.847 N/A ARG 229.A N VAL 225.A O no hydrogen 2.870 N/A ARG 229.A NE GLN 234.A OE1 no hydrogen 2.928 N/A ARG 229.A NH2 GLN 234.A OE1 no hydrogen 3.346 N/A LEU 230.A N CYS 226.A O no hydrogen 2.914 N/A LEU 231.A N LEU 227.A O no hydrogen 2.948 N/A LYS 232.A N ILE 228.A O no hydrogen 2.843 N/A GLY 233.A N LEU 230.A O no hydrogen 2.957 N/A GLN 234.A N ARG 229.A O no hydrogen 2.996 N/A THR 236.A N GLN 239.A O no hydrogen 3.138 N/A THR 236.A OG1 GLN 239.A O no hydrogen 3.382 N/A GLN 239.A N THR 236.A O no hydrogen 3.032 N/A GLN 239.A N THR 236.A OG1 no hydrogen 3.114 N/A GLU 244.A N HIS 240.A O no hydrogen 2.947 N/A ALA 245.A N VAL 241.A O no hydrogen 2.949 N/A ALA 246.A N GLY 242.A O no hydrogen 3.093 N/A ALA 247.A N PHE 243.A O no hydrogen 3.037 N/A TRP 248.A N GLU 244.A O no hydrogen 2.962 N/A TYR 249.A N ALA 245.A O no hydrogen 2.846 N/A TYR 249.A OH HIS 215.A O no hydrogen 3.019 N/A TRP 250.A N ALA 246.A O no hydrogen 2.794 N/A TRP 250.A NE1 SER 147.A OG no hydrogen 3.041 N/A HIS 251.A N ALA 247.A O no hydrogen 2.958 N/A PHE 252.A N TRP 248.A O no hydrogen 2.988 N/A VAL 253.A N TYR 249.A O no hydrogen 2.944 N/A ASP 254.A N TRP 250.A O no hydrogen 2.922 N/A VAL 255.A N HIS 251.A O no hydrogen 2.975 N/A VAL 256.A N PHE 252.A O no hydrogen 3.060 N/A TRP 257.A N VAL 253.A O no hydrogen 3.104 N/A TRP 257.A NE1 THR 141.A OG1 no hydrogen 2.874 N/A LEU 258.A N ASP 254.A O no hydrogen 3.002 N/A PHE 259.A N VAL 255.A O no hydrogen 2.988 N/A LEU 260.A N VAL 256.A O no hydrogen 2.866 N/A PHE 261.A N TRP 257.A O no hydrogen 2.702 N/A VAL 262.A N LEU 258.A O no hydrogen 3.025 N/A VAL 263.A N PHE 259.A O no hydrogen 2.897 N/A ILE 264.A N LEU 260.A O no hydrogen 2.879 N/A TYR 265.A N LEU 260.A O no hydrogen 3.331 N/A TYR 265.A OH GLU 188.A OE2 no hydrogen 3.416 N/A ILE 266.A N VAL 262.A O no hydrogen 3.349 N/A TRP 267.A N VAL 262.A O no hydrogen 2.743 N/A GLY 268.A N VAL 263.A O no hydrogen 2.856 N/A