Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5f5w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N GLU 178.A O no hydrogen 3.222 N/A GLN 4.A N TRP 179.A O no hydrogen 3.151 N/A ILE 6.A N TYR 2.A O no hydrogen 2.828 N/A ILE 7.A N PHE 3.A O no hydrogen 3.182 N/A MET 8.A N GLN 4.A O no hydrogen 3.081 N/A THR 9.A N ASP 5.A O no hydrogen 2.981 N/A THR 9.A OG1 ASP 5.A O no hydrogen 2.860 N/A LEU 10.A N ILE 6.A O no hydrogen 3.113 N/A HIS 11.A N ILE 7.A O no hydrogen 3.046 N/A LYS 12.A N MET 8.A O no hydrogen 3.075 N/A LYS 12.A NZ GLU 16.A OE2 no hydrogen 3.490 N/A PHE 13.A N THR 9.A O no hydrogen 2.810 N/A TRP 14.A N LEU 10.A O no hydrogen 3.031 N/A TRP 14.A NE1 TYR 159.A OH no hydrogen 3.139 N/A ALA 15.A N HIS 11.A O no hydrogen 2.924 N/A GLU 16.A N LYS 12.A O no hydrogen 3.164 N/A LYS 17.A N PHE 13.A O no hydrogen 3.188 N/A LYS 17.A NZ GLU 94.A OE2 no hydrogen 3.011 N/A GLY 18.A N ALA 15.A O no hydrogen 3.018 N/A CYS 19.A N TRP 14.A O no hydrogen 2.919 N/A LEU 20.A N ASN 49.A O no hydrogen 2.778 N/A TRP 22.A N ALA 51.A O no hydrogen 2.930 N/A TRP 22.A NE1 ASN 35.A OD1 no hydrogen 2.954 N/A TYR 25.A N GLU 54.A OE2 no hydrogen 3.015 N/A TYR 25.A OH ASP 234.A OD1 no hydrogen 2.454 N/A TYR 25.A OH ASP 234.A OD2 no hydrogen 3.416 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.847 N/A GLY 32.A N GLN 76.A OE1 no hydrogen 2.815 N/A THR 33.A OG1 GLU 156.A OE2 no hydrogen 2.572 N/A MET 34.A N ALA 31.A O no hydrogen 3.003 N/A ASN 35.A N GLY 32.A O no hydrogen 3.184 N/A ASN 35.A ND2 GLN 23.A O no hydrogen 3.382 N/A ASN 35.A ND2 GLU 54.A OE1 no hydrogen 2.774 N/A ALA 37.A N ASN 35.A OD1 no hydrogen 2.994 N/A THR 38.A N ASN 35.A O no hydrogen 2.900 N/A THR 38.A OG1 GLY 32.A O no hydrogen 3.486 N/A THR 38.A OG1 TYR 52.A OH no hydrogen 2.660 N/A PHE 39.A N ASN 35.A O no hydrogen 3.194 N/A LEU 40.A N PRO 36.A O no hydrogen 3.220 N/A LYS 41.A N THR 38.A O no hydrogen 3.056 N/A VAL 42.A N THR 38.A O no hydrogen 3.095 N/A LYS 45.A N GLU 280.A OE1 no hydrogen 2.975 N/A LYS 46.A N GLU 280.A OE2 no hydrogen 3.478 N/A TRP 48.A N LYS 82.A O no hydrogen 2.860 N/A TRP 48.A NE1 ALA 37.A O no hydrogen 2.816 N/A VAL 50.A N ILE 80.A O no hydrogen 2.938 N/A ALA 51.A N LEU 20.A O no hydrogen 2.914 N/A TYR 52.A N GLN 78.A O no hydrogen 2.938 N/A TYR 52.A OH GLY 32.A O no hydrogen 2.645 N/A TYR 52.A OH THR 38.A OG1 no hydrogen 2.660 N/A GLU 54.A N GLN 76.A O no hydrogen 2.998 N/A SER 56.A N TYR 74.A O no hydrogen 2.706 N/A SER 56.A OG GLU 54.A O no hydrogen 3.014 N/A ARG 57.A N VAL 29.A O no hydrogen 2.796 N/A ARG 58.A N GLN 72.A O no hydrogen 2.748 N/A ARG 58.A NE GLY 30.A O no hydrogen 2.819 N/A ARG 58.A NH2 GLY 30.A O no hydrogen 3.045 N/A GLN 60.A N GLN 60.A OE1 no hydrogen 2.925 N/A GLN 60.A NE2 ASN 244.A OD1 no hydrogen 3.411 N/A GLN 60.A NE2 ASP 247.A OD2 no hydrogen 3.066 N/A ASP 61.A N ARG 58.A O no hydrogen 2.792 N/A GLY 62.A N PRO 59.A O no hydrogen 3.467 N/A ARG 63.A NH1 GLN 60.A O no hydrogen 3.137 N/A ARG 63.A NH1 GLY 62.A O no hydrogen 2.669 N/A TYR 64.A N SER 197.A OG no hydrogen 2.945 N/A TYR 64.A OH GLU 202.A OE2 no hydrogen 2.621 N/A GLU 66.A N ARG 63.A O no hydrogen 2.975 N/A ASN 69.A N ASN 67.A OD1 no hydrogen 2.846 N/A ARG 70.A N ASN 67.A OD1 no hydrogen 2.772 N/A GLN 72.A N GLU 193.A OE2 no hydrogen 2.512 N/A GLN 72.A NE2 GLU 193.A OE1 no hydrogen 3.146 N/A TYR 74.A N SER 56.A O no hydrogen 2.994 N/A TYR 75.A N GLU 162.A OE2 no hydrogen 2.856 N/A GLN 76.A N GLU 54.A O no hydrogen 3.011 N/A GLN 76.A NE2 TYR 74.A OH no hydrogen 2.848 N/A PHE 77.A N TYR 159.A O no hydrogen 3.029 N/A GLN 78.A N TYR 52.A O no hydrogen 2.782 N/A GLN 78.A NE2 THR 38.A OG1 no hydrogen 3.085 N/A GLN 78.A NE2 GLU 156.A OE2 no hydrogen 2.824 N/A VAL 79.A N ILE 157.A O no hydrogen 2.863 N/A ILE 80.A N VAL 50.A O no hydrogen 2.950 N/A LEU 81.A N VAL 155.A O no hydrogen 3.045 N/A LYS 82.A N ASN 49.A OD1 no hydrogen 3.248 N/A LYS 82.A NZ LYS 41.A O no hydrogen 3.065 N/A LYS 82.A NZ LEU 43.A O no hydrogen 3.206 N/A LYS 82.A NZ GLY 44.A O no hydrogen 2.879 N/A LYS 82.A NZ LYS 46.A O no hydrogen 2.741 N/A ALA 84.A N ILE 153.A O no hydrogen 2.795 N/A ASN 87.A ND2 GLU 90.A OE1 no hydrogen 3.176 N/A ILE 91.A N ASN 87.A O no hydrogen 3.279 N/A TYR 92.A N PRO 88.A O no hydrogen 3.010 N/A TYR 92.A OH THR 137.A OG1 no hydrogen 2.708 N/A LEU 93.A N GLN 89.A O no hydrogen 2.768 N/A GLU 94.A N GLU 90.A O no hydrogen 3.034 N/A SER 95.A N ILE 91.A O no hydrogen 3.227 N/A SER 95.A OG TYR 92.A O no hydrogen 2.608 N/A SER 95.A OG TYR 159.A OH no hydrogen 2.619 N/A LEU 96.A N TYR 92.A O no hydrogen 3.305 N/A LEU 96.A N LEU 93.A O no hydrogen 3.184 N/A GLU 97.A N LEU 93.A O no hydrogen 3.100 N/A ARG 98.A N GLU 94.A O no hydrogen 3.191 N/A LEU 99.A N SER 95.A O no hydrogen 3.255 N/A LEU 99.A N LEU 96.A O no hydrogen 2.750 N/A GLY 100.A N GLU 97.A O no hydrogen 2.868 N/A ILE 101.A N LEU 96.A O no hydrogen 3.157 N/A LEU 104.A N ASN 102.A OD1 no hydrogen 3.308 N/A GLU 105.A N ASN 102.A O no hydrogen 2.979 N/A HIS 106.A ND1 TYR 167.A OH no hydrogen 2.617 N/A ASP 107.A N ASP 132.A OD1 no hydrogen 3.034 N/A ARG 109.A N TRP 130.A O no hydrogen 2.813 N/A VAL 111.A N GLU 128.A O no hydrogen 2.872 N/A ASP 113.A N GLY 126.A O no hydrogen 3.056 N/A TRP 115.A N GLY 124.A O no hydrogen 3.104 N/A SER 117.A N ALA 122.A O no hydrogen 2.766 N/A THR 119.A OG1 SER 240.A OG no hydrogen 2.703 N/A LEU 120.A N SER 117.A O no hydrogen 3.089 N/A TRP 123.A N GLN 144.A O no hydrogen 3.317 N/A GLY 124.A N TRP 115.A O no hydrogen 3.102 N/A GLY 126.A N ASP 113.A O no hydrogen 2.870 N/A TRP 127.A N PHE 139.A O no hydrogen 2.975 N/A GLU 128.A N VAL 111.A O no hydrogen 2.681 N/A VAL 129.A N THR 137.A O no hydrogen 2.826 N/A TRP 130.A N ARG 109.A O no hydrogen 2.885 N/A TRP 130.A NE1 GLU 128.A OE1 no hydrogen 3.126 N/A LEU 131.A N MET 134.A O no hydrogen 2.836 N/A ASP 132.A N ASP 107.A O no hydrogen 3.079 N/A MET 134.A N LEU 131.A O no hydrogen 2.986 N/A ILE 136.A N VAL 129.A O no hydrogen 2.884 N/A THR 137.A OG1 TYR 92.A OH no hydrogen 2.708 N/A THR 137.A OG1 ILE 136.A O no hydrogen 2.764 N/A GLN 138.A N THR 158.A O no hydrogen 2.967 N/A GLN 138.A NE2 ASP 113.A OD1 no hydrogen 2.720 N/A GLN 138.A NE2 PHE 139.A O no hydrogen 3.111 N/A PHE 139.A N TRP 127.A O no hydrogen 2.786 N/A THR 140.A N GLU 156.A O no hydrogen 2.965 N/A TYR 141.A N LEU 125.A O no hydrogen 2.834 N/A GLN 143.A N TRP 123.A O no hydrogen 2.803 N/A GLN 144.A N TRP 123.A O no hydrogen 3.432 N/A GLN 144.A NE2 ASP 149.A OD1 no hydrogen 3.225 N/A ALA 145.A N LEU 148.A O no hydrogen 3.159 N/A GLY 146.A N LEU 120.A O no hydrogen 2.817 N/A GLY 147.A N GLY 121.A O no hydrogen 3.209 N/A LEU 148.A N ALA 145.A O no hydrogen 3.094 N/A LEU 150.A N GLN 143.A O no hydrogen 3.291 N/A SER 154.A OG GLU 152.A O no hydrogen 3.512 N/A VAL 155.A N LEU 81.A O no hydrogen 3.059 N/A GLU 156.A N THR 140.A O no hydrogen 2.833 N/A ILE 157.A N VAL 79.A O no hydrogen 2.955 N/A THR 158.A N GLN 138.A O no hydrogen 2.978 N/A THR 158.A OG1 GLN 78.A OE1 no hydrogen 2.859 N/A TYR 159.A N PHE 77.A O no hydrogen 2.738 N/A TYR 159.A OH SER 95.A OG no hydrogen 2.619 N/A GLY 160.A N ILE 136.A O no hydrogen 2.872 N/A LEU 161.A N TYR 75.A O no hydrogen 3.259 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 2.806 N/A ARG 163.A NE ASN 69.A O no hydrogen 3.209 N/A ARG 163.A NH1 GLU 135.A O no hydrogen 3.277 N/A ARG 163.A NH2 ASN 69.A O no hydrogen 2.876 N/A ILE 164.A N GLY 160.A O no hydrogen 3.199 N/A ALA 165.A N LEU 161.A O no hydrogen 2.985 N/A MET 166.A N GLU 162.A O no hydrogen 2.858 N/A TYR 167.A N ARG 163.A O no hydrogen 3.280 N/A TYR 167.A OH HIS 106.A ND1 no hydrogen 2.617 N/A TYR 167.A OH ASP 132.A OD2 no hydrogen 2.584 N/A ILE 168.A N ILE 164.A O no hydrogen 3.005 N/A GLN 169.A N ALA 165.A O no hydrogen 2.756 N/A GLN 169.A NE2 MET 1.A O no hydrogen 3.031 N/A GLN 169.A NE2 GLU 178.A O no hydrogen 3.148 N/A ASP 170.A N TYR 167.A O no hydrogen 2.941 N/A LYS 171.A N MET 166.A O no hydrogen 2.761 N/A LYS 171.A NZ GLU 178.A OE2 no hydrogen 3.406 N/A VAL 174.A N PRO 68.A O no hydrogen 2.817 N/A PHE 175.A N SER 173.A OG no hydrogen 3.322 N/A ILE 177.A N VAL 174.A O no hydrogen 3.253 N/A GLU 178.A N GLN 169.A OE1 no hydrogen 2.810 N/A TRP 179.A N ILE 183.A O no hydrogen 2.909 N/A ILE 183.A N LYS 180.A O no hydrogen 3.495 N/A THR 184.A N GLU 187.A OE1 no hydrogen 3.395 N/A THR 184.A OG1 ILE 177.A O no hydrogen 3.328 N/A TYR 185.A N ILE 177.A O no hydrogen 2.696 N/A TYR 185.A OH GLU 162.A OE2 no hydrogen 2.535 N/A GLY 186.A N PHE 175.A O no hydrogen 2.846 N/A GLY 186.A N THR 184.A OG1 no hydrogen 3.203 N/A ILE 188.A N THR 184.A O no hydrogen 3.368 N/A PHE 189.A N TYR 185.A O no hydrogen 2.843 N/A LYS 190.A N GLY 186.A O no hydrogen 2.883 N/A LYS 190.A NZ GLY 65.A O no hydrogen 2.833 N/A ARG 191.A NE GLU 195.A OE2 no hydrogen 2.724 N/A ARG 191.A NH2 GLU 195.A OE2 no hydrogen 2.832 N/A GLU 193.A N PHE 189.A O no hydrogen 2.701 N/A TRP 194.A N LYS 190.A O no hydrogen 3.211 N/A GLU 195.A N ARG 191.A O no hydrogen 2.987 N/A TRP 196.A N SER 192.A O no hydrogen 2.936 N/A SER 197.A N GLU 193.A O no hydrogen 3.222 N/A SER 197.A OG GLU 193.A O no hydrogen 2.843 N/A LYS 198.A N TRP 194.A O no hydrogen 3.104 N/A LYS 198.A NZ GLU 202.A OE1 no hydrogen 3.191 N/A TYR 199.A N GLU 195.A O no hydrogen 2.972 N/A ASN 200.A N TRP 196.A O no hydrogen 2.799 N/A ASN 200.A ND2 GLN 72.A OE1 no hydrogen 3.508 N/A PHE 201.A N SER 197.A O no hydrogen 2.955 N/A GLU 202.A N LYS 198.A O no hydrogen 2.966 N/A LEU 203.A N LYS 198.A O no hydrogen 2.940 N/A ALA 204.A N TYR 199.A O no hydrogen 2.822 N/A MET 208.A N ASP 205.A OD1 no hydrogen 3.000 N/A LEU 209.A N ASP 205.A O no hydrogen 3.106 N/A PHE 210.A N THR 206.A O no hydrogen 2.836 N/A GLN 211.A N ASP 207.A O no hydrogen 3.211 N/A VAL 212.A N MET 208.A O no hydrogen 2.785 N/A TYR 213.A N LEU 209.A O no hydrogen 2.915 N/A TYR 213.A OH GLU 217.A OE1 no hydrogen 2.752 N/A GLU 214.A N PHE 210.A O no hydrogen 3.350 N/A MET 215.A N GLN 211.A O no hydrogen 2.981 N/A PHE 216.A N VAL 212.A O no hydrogen 2.898 N/A GLU 217.A N TYR 213.A O no hydrogen 2.862 N/A LYS 218.A N GLU 214.A O no hydrogen 3.039 N/A GLU 219.A N MET 215.A O no hydrogen 3.140 N/A SER 220.A N PHE 216.A O no hydrogen 2.928 N/A SER 220.A OG ALA 232.A O no hydrogen 2.684 N/A LYS 221.A N GLU 217.A O no hydrogen 2.996 N/A ARG 222.A N LYS 218.A O no hydrogen 3.135 N/A MET 223.A N GLU 219.A O no hydrogen 3.152 N/A VAL 224.A N SER 220.A O no hydrogen 3.070 N/A GLU 225.A N LYS 221.A O no hydrogen 3.033 N/A GLU 226.A N ARG 222.A O no hydrogen 2.919 N/A GLY 227.A N VAL 224.A O no hydrogen 3.063 N/A LEU 228.A N MET 223.A O no hydrogen 2.867 N/A ALA 232.A N LEU 228.A O no hydrogen 3.185 N/A TYR 233.A N ILE 229.A O no hydrogen 2.773 N/A TYR 233.A OH MET 34.A O no hydrogen 2.615 N/A ASP 234.A N PHE 230.A O no hydrogen 2.991 N/A TYR 235.A N PRO 231.A O no hydrogen 3.285 N/A LEU 236.A N ALA 232.A O no hydrogen 3.089 N/A LEU 237.A N TYR 233.A O no hydrogen 2.994 N/A LYS 238.A N ASP 234.A O no hydrogen 3.015 N/A CYS 239.A N TYR 235.A O no hydrogen 3.010 N/A CYS 239.A SG TYR 213.A O no hydrogen 3.652 N/A CYS 239.A SG TYR 235.A O no hydrogen 3.340 N/A SER 240.A N LEU 236.A O no hydrogen 2.987 N/A SER 240.A OG THR 119.A OG1 no hydrogen 2.703 N/A HIS 241.A N LEU 237.A O no hydrogen 3.104 N/A VAL 242.A N LYS 238.A O no hydrogen 3.013 N/A PHE 243.A N CYS 239.A O no hydrogen 2.865 N/A ASN 244.A N SER 240.A O no hydrogen 3.151 N/A ILE 245.A N HIS 241.A O no hydrogen 3.129 N/A LEU 246.A N VAL 242.A O no hydrogen 2.941 N/A ASP 247.A N PHE 243.A O no hydrogen 2.852 N/A ALA 248.A N ASN 244.A O no hydrogen 2.953 N/A ARG 249.A N ILE 245.A O no hydrogen 2.891 N/A ARG 249.A NE ALA 204.A O no hydrogen 2.895 N/A ARG 249.A NH1 PHE 201.A O no hydrogen 2.686 N/A GLY 250.A N ASP 247.A O no hydrogen 2.894 N/A ALA 251.A N LEU 246.A O no hydrogen 3.152 N/A SER 253.A OG GLN 255.A OE1 no hydrogen 3.030 N/A GLN 255.A N GLN 255.A OE1 no hydrogen 2.676 N/A GLU 256.A N SER 253.A OG no hydrogen 3.133 N/A ARG 257.A N SER 253.A O no hydrogen 2.788 N/A ARG 257.A NH1 ASP 247.A OD2 no hydrogen 2.706 N/A ARG 257.A NH2 ASP 247.A OD2 no hydrogen 2.922 N/A ALA 258.A N VAL 254.A O no hydrogen 3.257 N/A ARG 259.A N GLN 255.A O no hydrogen 3.210 N/A TYR 260.A N GLU 256.A O no hydrogen 3.042 N/A ILE 261.A N ARG 257.A O no hydrogen 2.988 N/A ARG 262.A N ALA 258.A O no hydrogen 2.977 N/A ARG 263.A N ARG 259.A O no hydrogen 2.987 N/A ARG 263.A NE GLU 217.A OE2 no hydrogen 3.430 N/A ARG 263.A NH1 GLU 214.A OE2 no hydrogen 3.338 N/A ARG 263.A NH2 GLU 214.A OE1 no hydrogen 2.967 N/A ARG 263.A NH2 GLU 214.A OE2 no hydrogen 3.363 N/A ARG 263.A NH2 GLU 217.A OE2 no hydrogen 3.048 N/A MET 264.A N TYR 260.A O no hydrogen 3.040 N/A ASN 265.A N ILE 261.A O no hydrogen 2.882 N/A ASN 265.A ND2 PRO 118.A O no hydrogen 2.661 N/A ASN 265.A ND2 ILE 261.A O no hydrogen 2.764 N/A ASN 266.A N ARG 262.A O no hydrogen 3.020 N/A LEU 267.A N ARG 263.A O no hydrogen 3.091 N/A ALA 268.A N MET 264.A O no hydrogen 2.831 N/A ARG 269.A N ASN 265.A O no hydrogen 2.962 N/A ARG 269.A NH1 ASN 266.A OD1 no hydrogen 2.785 N/A GLU 270.A N ASN 266.A O no hydrogen 3.146 N/A ILE 271.A N LEU 267.A O no hydrogen 3.103 N/A ALA 272.A N ALA 268.A O no hydrogen 2.932 N/A LYS 273.A N ARG 269.A O no hydrogen 2.851 N/A LEU 274.A N GLU 270.A O no hydrogen 2.917 N/A TYR 275.A N ILE 271.A O no hydrogen 2.930 N/A LEU 276.A N ALA 272.A O no hydrogen 3.111 N/A GLN 277.A N LYS 273.A O no hydrogen 3.019 N/A VAL 278.A N LEU 274.A O no hydrogen 3.087 N/A PHE 279.A N TYR 275.A O no hydrogen 2.826 N/A GLU 280.A N LEU 276.A O no hydrogen 2.930 N/A ASN 281.A N GLN 277.A O no hydrogen 3.312 N/A VAL 282.A N LEU 276.A O no hydrogen 3.359 N/A