Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6urx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N GLN 2.A OE1 no hydrogen 3.098 N/A TYR 3.A OH ILE 50.A O no hydrogen 2.735 N/A ILE 6.A N LEU 56.A O no hydrogen 2.885 N/A PHE 8.A N GLU 58.A O no hydrogen 2.988 N/A THR 9.A OG1 SER 60.A O no hydrogen 3.230 N/A THR 10.A N SER 60.A O no hydrogen 3.037 N/A THR 10.A OG1 GLU 142.A OE2 no hydrogen 2.759 N/A ALA 11.A N THR 9.A OG1 no hydrogen 3.059 N/A ALA 13.A N THR 10.A O no hydrogen 3.305 N/A THR 14.A N SER 17.A OG no hydrogen 2.925 N/A SER 17.A N THR 14.A OG1 no hydrogen 2.982 N/A SER 17.A OG THR 14.A O no hydrogen 3.289 N/A TYR 18.A N THR 14.A O no hydrogen 2.957 N/A TYR 18.A OH MET 171.A O no hydrogen 2.634 N/A THR 19.A N VAL 15.A O no hydrogen 2.912 N/A THR 19.A OG1 VAL 15.A O no hydrogen 2.650 N/A ASN 20.A N GLN 16.A O no hydrogen 2.892 N/A PHE 21.A N SER 17.A O no hydrogen 3.027 N/A ILE 22.A N TYR 18.A O no hydrogen 2.937 N/A ARG 23.A N THR 19.A O no hydrogen 3.005 N/A ALA 24.A N ASN 20.A O no hydrogen 2.927 N/A VAL 25.A N PHE 21.A O no hydrogen 2.961 N/A ARG 26.A N ILE 22.A O no hydrogen 2.879 N/A ARG 26.A NE ALA 176.A O no hydrogen 2.794 N/A ARG 26.A NH1 GLU 182.A OE1 no hydrogen 2.879 N/A ARG 26.A NH2 ALA 175.A O no hydrogen 2.740 N/A ARG 26.A NH2 GLU 182.A OE1 no hydrogen 2.736 N/A GLY 27.A N ARG 23.A O no hydrogen 2.911 N/A ARG 28.A N ALA 24.A O no hydrogen 2.981 N/A LEU 29.A N VAL 25.A O no hydrogen 2.959 N/A THR 30.A N ARG 26.A O no hydrogen 2.962 N/A THR 30.A N GLY 27.A O no hydrogen 3.309 N/A THR 30.A OG1 ARG 26.A O no hydrogen 2.682 N/A THR 30.A OG1 GLY 27.A O no hydrogen 3.301 N/A THR 31.A OG1 GLY 27.A O no hydrogen 3.530 N/A THR 31.A OG1 ARG 28.A O no hydrogen 3.416 N/A ALA 33.A N THR 30.A O no hydrogen 3.005 N/A ASP 34.A N VAL 41.A O no hydrogen 2.816 N/A ARG 36.A N ASP 34.A OD1 no hydrogen 3.166 N/A VAL 41.A N ASP 34.A O no hydrogen 2.967 N/A LEU 42.A N MET 252.A O no hydrogen 2.835 N/A ARG 45.A NH2 ASP 97.A OD1 no hydrogen 2.980 N/A VAL 46.A N ASN 44.A OD1 no hydrogen 3.011 N/A LEU 48.A N ARG 45.A O no hydrogen 3.205 N/A GLN 52.A N PRO 49.A O no hydrogen 2.872 N/A ARG 53.A N ILE 50.A O no hydrogen 3.325 N/A ARG 53.A NE ASP 72.A OD1 no hydrogen 2.855 N/A ARG 53.A NE ASP 72.A OD2 no hydrogen 3.291 N/A ARG 53.A NH2 ASP 72.A OD2 no hydrogen 2.893 N/A ARG 53.A NH2 ASP 97.A OD1 no hydrogen 3.196 N/A ILE 55.A N LEU 71.A O no hydrogen 2.983 N/A LEU 56.A N PRO 4.A O no hydrogen 2.850 N/A VAL 57.A N LEU 69.A O no hydrogen 2.835 N/A GLU 58.A N ILE 6.A O no hydrogen 2.845 N/A LEU 59.A N VAL 67.A O no hydrogen 2.697 N/A SER 60.A N PHE 8.A O no hydrogen 2.982 N/A SER 60.A OG GLU 64.A OE2 no hydrogen 3.518 N/A SER 60.A OG LEU 65.A O no hydrogen 3.180 N/A ASN 61.A ND2 GLU 142.A O no hydrogen 3.026 N/A ASN 61.A ND2 SER 146.A OG no hydrogen 2.732 N/A HIS 62.A N GLU 142.A OE2 no hydrogen 3.087 N/A HIS 62.A ND1 GLU 142.A OE1 no hydrogen 3.141 N/A HIS 62.A ND1 GLU 142.A OE2 no hydrogen 2.886 N/A GLU 64.A N ASN 61.A O no hydrogen 2.875 N/A LEU 65.A N ASN 61.A OD1 no hydrogen 3.281 N/A SER 66.A OG GLU 58.A OE2 no hydrogen 3.308 N/A VAL 67.A N LEU 59.A O no hydrogen 2.979 N/A THR 68.A N ARG 82.A O no hydrogen 3.027 N/A LEU 69.A N VAL 57.A O no hydrogen 2.842 N/A ALA 70.A N GLY 80.A O no hydrogen 2.906 N/A LEU 71.A N ILE 55.A O no hydrogen 2.776 N/A ASP 72.A N TYR 77.A O no hydrogen 2.974 N/A VAL 73.A N ARG 53.A O no hydrogen 2.944 N/A THR 74.A N ASP 72.A OD1 no hydrogen 2.969 N/A THR 74.A OG1 ASP 72.A OD1 no hydrogen 2.717 N/A ASN 75.A N ASP 72.A O no hydrogen 3.335 N/A TYR 77.A N ASN 75.A OD1 no hydrogen 2.966 N/A TYR 77.A OH GLY 118.A O no hydrogen 2.705 N/A VAL 79.A N ALA 70.A O no hydrogen 2.942 N/A TYR 81.A N TYR 88.A O no hydrogen 2.851 N/A TYR 81.A OH LEU 148.A O no hydrogen 2.573 N/A ARG 82.A N THR 68.A O no hydrogen 2.843 N/A ARG 82.A NE GLY 84.A O no hydrogen 2.932 N/A ARG 82.A NH1 ASP 107.A OD2 no hydrogen 3.105 N/A ARG 82.A NH2 GLY 84.A O no hydrogen 3.414 N/A ALA 83.A N SER 86.A O no hydrogen 2.962 N/A SER 86.A N ALA 83.A O no hydrogen 3.166 N/A ALA 87.A N ASN 110.A O no hydrogen 2.787 N/A TYR 88.A N TYR 81.A O no hydrogen 2.847 N/A PHE 89.A N TYR 112.A O no hydrogen 2.818 N/A PHE 90.A N VAL 79.A O no hydrogen 3.034 N/A HIS 91.A N PHE 116.A O no hydrogen 2.825 N/A ASN 94.A ND2 ASP 97.A OD2 no hydrogen 3.380 N/A ASP 97.A N ASN 94.A OD1 no hydrogen 2.868 N/A ALA 98.A N ASN 94.A O no hydrogen 3.107 N/A GLU 99.A N GLN 95.A O no hydrogen 2.973 N/A ALA 100.A N GLU 96.A O no hydrogen 2.866 N/A ILE 101.A N ASP 97.A O no hydrogen 3.179 N/A THR 102.A N GLU 99.A O no hydrogen 3.232 N/A THR 102.A OG1 GLU 99.A O no hydrogen 2.428 N/A HIS 103.A N ALA 100.A O no hydrogen 3.040 N/A HIS 103.A NE2 GLU 99.A OE2 no hydrogen 2.798 N/A LEU 104.A N ILE 101.A O no hydrogen 2.982 N/A VAL 108.A N PHE 105.A O no hydrogen 3.065 N/A GLN 109.A N ASN 85.A OD1 no hydrogen 2.897 N/A ASN 110.A N ASN 85.A O no hydrogen 3.030 N/A ARG 111.A NH1 LEU 104.A O no hydrogen 2.888 N/A ARG 111.A NH2 LEU 104.A O no hydrogen 3.061 N/A TYR 112.A N ALA 87.A O no hydrogen 2.814 N/A PHE 114.A N PHE 89.A O no hydrogen 2.823 N/A TYR 120.A OH GLU 174.A OE2 no hydrogen 2.626 N/A LEU 123.A N ASN 119.A O no hydrogen 3.024 N/A GLU 124.A N TYR 120.A O no hydrogen 2.833 N/A GLN 125.A N ASP 121.A O no hydrogen 3.347 N/A LEU 126.A N ARG 122.A O no hydrogen 2.967 N/A ALA 127.A N LEU 123.A O no hydrogen 2.817 N/A GLY 128.A N GLN 125.A O no hydrogen 3.163 N/A ASN 129.A N GLU 124.A O no hydrogen 3.133 N/A ARG 131.A N GLU 124.A OE2 no hydrogen 2.854 N/A ARG 131.A NE GLU 124.A OE2 no hydrogen 2.949 N/A ARG 131.A NH1 GLU 205.A OE1 no hydrogen 2.873 N/A ASN 133.A N LEU 130.A O no hydrogen 2.908 N/A ILE 134.A N ARG 131.A O no hydrogen 3.087 N/A LEU 136.A N SER 195.A O no hydrogen 2.993 N/A ASN 138.A ND2 THR 10.A O no hydrogen 2.923 N/A LEU 141.A N GLY 137.A O no hydrogen 3.137 N/A GLU 142.A N ASN 138.A O no hydrogen 2.872 N/A GLU 143.A N GLY 139.A O no hydrogen 3.039 N/A ALA 144.A N PRO 140.A O no hydrogen 2.795 N/A ILE 145.A N LEU 141.A O no hydrogen 2.964 N/A SER 146.A N GLU 142.A O no hydrogen 3.356 N/A ALA 147.A N GLU 143.A O no hydrogen 3.007 N/A LEU 148.A N ALA 144.A O no hydrogen 2.921 N/A TYR 149.A N ILE 145.A O no hydrogen 3.000 N/A TYR 150.A N SER 146.A O no hydrogen 2.837 N/A TYR 151.A N ALA 147.A O no hydrogen 2.970 N/A SER 152.A N TYR 149.A O no hydrogen 3.079 N/A SER 152.A OG TYR 149.A O no hydrogen 2.853 N/A THR 153.A N TYR 150.A O no hydrogen 3.247 N/A THR 153.A OG1 TYR 150.A O no hydrogen 2.973 N/A GLY 154.A N TYR 151.A O no hydrogen 3.202 N/A GLY 155.A N TYR 150.A O no hydrogen 2.970 N/A THR 156.A OG1 ALA 147.A O no hydrogen 2.621 N/A LEU 161.A N GLN 157.A O no hydrogen 3.018 N/A ALA 162.A N LEU 158.A O no hydrogen 2.862 N/A ARG 163.A N PRO 159.A O no hydrogen 2.995 N/A ARG 163.A NH1 THR 160.A OG1 no hydrogen 3.201 N/A ARG 163.A NH2 ALA 127.A O no hydrogen 2.880 N/A SER 164.A N THR 160.A O no hydrogen 2.918 N/A SER 164.A OG THR 160.A O no hydrogen 2.775 N/A PHE 165.A N LEU 161.A O no hydrogen 2.941 N/A ILE 166.A N ALA 162.A O no hydrogen 2.976 N/A ILE 167.A N ARG 163.A O no hydrogen 3.014 N/A CYS 168.A N SER 164.A O no hydrogen 2.953 N/A CYS 168.A SG SER 164.A O no hydrogen 3.517 N/A ILE 169.A N PHE 165.A O no hydrogen 2.814 N/A GLN 170.A N ILE 166.A O no hydrogen 3.260 N/A GLN 170.A NE2 ILE 166.A O no hydrogen 3.248 N/A MET 171.A N ILE 167.A O no hydrogen 3.016 N/A SER 173.A OG ALA 76.A O no hydrogen 2.683 N/A GLU 174.A N ILE 169.A O no hydrogen 3.022 N/A ALA 176.A N ILE 172.A O no hydrogen 2.908 N/A ARG 177.A N SER 173.A O no hydrogen 2.976 N/A ARG 177.A NE ASN 75.A O no hydrogen 3.170 N/A ARG 177.A NH1 GLU 174.A OE1 no hydrogen 2.912 N/A ARG 177.A NH2 ASN 75.A O no hydrogen 2.831 N/A PHE 178.A N GLU 174.A O no hydrogen 2.934 N/A GLN 179.A N GLN 179.A OE1 no hydrogen 2.949 N/A GLN 179.A NE2 ILE 246.A O no hydrogen 3.361 N/A TYR 180.A N ILE 248.A O no hydrogen 3.394 N/A TYR 180.A OH SER 200.A OG no hydrogen 2.735 N/A GLU 182.A N PHE 178.A O no hydrogen 2.971 N/A GLY 183.A N GLN 179.A O no hydrogen 2.954 N/A GLU 184.A N TYR 180.A O no hydrogen 3.131 N/A MET 185.A N ILE 181.A O no hydrogen 3.069 N/A ARG 186.A N GLU 182.A O no hydrogen 2.806 N/A ARG 186.A NH2 GLU 182.A OE2 no hydrogen 3.050 N/A THR 187.A N GLY 183.A O no hydrogen 2.991 N/A THR 187.A OG1 GLY 183.A O no hydrogen 3.108 N/A ARG 188.A N GLU 184.A O no hydrogen 3.368 N/A ARG 188.A NE SER 195.A O no hydrogen 3.013 N/A ARG 188.A NH1 GLU 184.A O no hydrogen 2.933 N/A ARG 188.A NH1 GLU 184.A OE1 no hydrogen 3.003 N/A ARG 188.A NH2 SER 195.A O no hydrogen 3.169 N/A ARG 188.A NH2 ALA 196.A O no hydrogen 2.853 N/A ILE 189.A N MET 185.A O no hydrogen 2.990 N/A ARG 190.A N ARG 186.A O no hydrogen 2.826 N/A ARG 190.A NH1 ARG 190.A O no hydrogen 3.028 N/A TYR 191.A N THR 187.A O no hydrogen 3.090 N/A ASN 192.A N ILE 189.A O no hydrogen 3.218 N/A ARG 193.A N ARG 188.A O no hydrogen 2.782 N/A ARG 194.A NH1 GLU 143.A OE2 no hydrogen 2.600 N/A ARG 194.A NH2 GLU 143.A OE1 no hydrogen 3.349 N/A SER 195.A N LEU 136.A O no hydrogen 3.055 N/A SER 200.A OG TYR 180.A OH no hydrogen 2.735 N/A SER 200.A OG ASP 198.A OD1 no hydrogen 2.433 N/A VAL 201.A N ASP 198.A OD1 no hydrogen 3.291 N/A ILE 202.A N ASP 198.A O no hydrogen 3.304 N/A THR 203.A N PRO 199.A O no hydrogen 2.936 N/A LEU 204.A N SER 200.A O no hydrogen 3.034 N/A GLU 205.A N VAL 201.A O no hydrogen 3.061 N/A ASN 206.A N ILE 202.A O no hydrogen 2.991 N/A SER 207.A N THR 203.A O no hydrogen 2.828 N/A SER 207.A N LEU 204.A O no hydrogen 3.012 N/A SER 207.A OG THR 203.A O no hydrogen 2.650 N/A TRP 208.A N GLU 205.A O no hydrogen 3.515 N/A TRP 208.A NE1 LEU 251.A O no hydrogen 2.818 N/A LEU 211.A N SER 207.A O no hydrogen 2.787 N/A SER 212.A N TRP 208.A O no hydrogen 2.996 N/A SER 212.A OG TRP 208.A O no hydrogen 2.779 N/A THR 213.A N GLY 209.A O no hydrogen 3.095 N/A THR 213.A OG1 GLY 209.A O no hydrogen 3.284 N/A ALA 214.A N ARG 210.A O no hydrogen 2.892 N/A ILE 215.A N LEU 211.A O no hydrogen 2.926 N/A GLN 216.A N SER 212.A O no hydrogen 3.173 N/A GLN 216.A NE2 SER 212.A O no hydrogen 2.926 N/A GLN 216.A NE2 VAL 253.A O no hydrogen 2.734 N/A GLU 217.A N THR 213.A O no hydrogen 2.892 N/A SER 218.A N ILE 215.A O no hydrogen 3.295 N/A SER 218.A OG ILE 215.A O no hydrogen 2.669 N/A ASN 219.A N ALA 222.A O no hydrogen 2.954 N/A ALA 222.A N ASN 219.A O no hydrogen 2.981 N/A PHE 223.A N TYR 240.A O no hydrogen 2.752 N/A ILE 227.A N VAL 239.A O no hydrogen 3.073 N/A LEU 229.A N PHE 237.A O no hydrogen 2.792 N/A ARG 231.A N SER 235.A O no hydrogen 2.774 N/A ARG 231.A NH1 SER 235.A OG no hydrogen 2.892 N/A ARG 231.A NH1 LYS 236.A O no hydrogen 3.413 N/A GLY 234.A N ARG 231.A O no hydrogen 3.052 N/A SER 235.A N ASN 233.A OD1 no hydrogen 2.904 N/A SER 235.A OG ASN 233.A OD1 no hydrogen 2.705 N/A PHE 237.A N LEU 229.A O no hydrogen 2.992 N/A VAL 239.A N ILE 227.A O no hydrogen 2.876 N/A VAL 242.A N GLY 221.A O no hydrogen 2.828 N/A ILE 244.A N ASP 241.A OD2 no hydrogen 3.248 N/A LEU 245.A N VAL 242.A O no hydrogen 2.975 N/A ILE 246.A N SER 243.A O no hydrogen 3.062 N/A ILE 248.A N LEU 245.A O no hydrogen 2.889 N/A ILE 249.A N LEU 245.A O no hydrogen 3.007 N/A ALA 250.A N ARG 177.A O no hydrogen 2.753 N/A ARG 255.A N GLN 216.A OE1 no hydrogen 2.930 N/A ARG 255.A NE THR 213.A OG1 no hydrogen 2.575 N/A ARG 255.A NH1 GLY 209.A O no hydrogen 3.418 N/A