Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ai8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N TRP 208.A O no hydrogen 2.892 N/A ALA 9.A N LEU 206.A O no hydrogen 2.932 N/A ARG 10.A N ASP 8.A OD2 no hydrogen 2.976 N/A ARG 10.A NE ASP 8.A OD1 no hydrogen 3.253 N/A ARG 10.A NE ASP 8.A OD2 no hydrogen 3.162 N/A ARG 10.A NH2 ASP 8.A OD1 no hydrogen 2.755 N/A GLU 11.A N ASP 8.A O no hydrogen 3.047 N/A GLN 12.A N ASP 8.A O no hydrogen 3.221 N/A GLN 12.A NE2 GLN 12.A O no hydrogen 2.803 N/A TRP 13.A N ALA 9.A O no hydrogen 3.018 N/A CYS 16.A N TRP 13.A O no hydrogen 2.999 N/A THR 18.A OG1 ASP 42.A OD1 no hydrogen 2.836 N/A LYS 20.A N PRO 17.A O no hydrogen 3.241 N/A LYS 20.A NZ ARG 10.A O no hydrogen 3.339 N/A GLU 21.A N THR 18.A O no hydrogen 2.963 N/A ARG 23.A NH1 VAL 56.A O no hydrogen 2.914 N/A ARG 23.A NH2 VAL 56.A O no hydrogen 3.127 N/A GLN 25.A N SER 222.A O no hydrogen 2.871 N/A GLN 25.A NE2 CYS 28.A O no hydrogen 2.865 N/A GLY 26.A N ASP 24.A OD1 no hydrogen 2.806 N/A CYS 28.A SG SER 30.A OG no hydrogen 3.130 N/A GLY 29.A N CYS 73.A O no hydrogen 2.756 N/A SER 30.A OG TYR 105.A OH no hydrogen 2.932 N/A CYS 31.A SG HIS 201.A ND1 no hydrogen 3.602 N/A TRP 32.A NE1 GLY 72.A O no hydrogen 3.065 N/A PHE 34.A N SER 30.A O no hydrogen 2.920 N/A GLY 35.A N CYS 31.A O no hydrogen 2.967 N/A VAL 37.A N ALA 33.A O no hydrogen 2.910 N/A GLU 38.A N PHE 34.A O no hydrogen 2.998 N/A ALA 39.A N GLY 35.A O no hydrogen 3.292 N/A ILE 40.A N ALA 36.A O no hydrogen 2.615 N/A SER 41.A N VAL 37.A O no hydrogen 2.829 N/A SER 41.A OG VAL 37.A O no hydrogen 2.750 N/A ASP 42.A N GLU 38.A O no hydrogen 3.043 N/A ARG 43.A N ALA 39.A O no hydrogen 3.051 N/A ARG 43.A NE PRO 171.A O no hydrogen 2.917 N/A ARG 43.A NH1 TYR 153.A OH no hydrogen 3.259 N/A ARG 43.A NH1 GLU 165.A OE2 no hydrogen 3.012 N/A ARG 43.A NH1 GLY 251.A O no hydrogen 2.787 N/A ARG 43.A NH2 GLU 165.A OE2 no hydrogen 2.893 N/A ARG 43.A NH2 GLY 170.A O no hydrogen 2.708 N/A ARG 43.A NH2 PRO 171.A O no hydrogen 3.561 N/A ILE 44.A N ILE 40.A O no hydrogen 2.912 N/A CYS 45.A N SER 41.A O no hydrogen 3.276 N/A CYS 45.A SG GLN 15.A O no hydrogen 3.878 N/A ILE 46.A N ASP 42.A O no hydrogen 2.810 N/A HIS 47.A N ARG 43.A O no hydrogen 2.893 N/A HIS 47.A NE2 THR 255.A OG1 no hydrogen 2.749 N/A THR 48.A N ILE 44.A O no hydrogen 3.047 N/A THR 48.A OG1 ILE 44.A O no hydrogen 2.792 N/A THR 48.A OG1 CYS 45.A O no hydrogen 3.269 N/A THR 48.A OG1 VAL 52.A O no hydrogen 3.132 N/A ASN 49.A N ILE 46.A O no hydrogen 3.284 N/A ALA 50.A N CYS 45.A O no hydrogen 2.783 N/A HIS 51.A N THR 48.A O no hydrogen 2.996 N/A VAL 52.A N THR 48.A OG1 no hydrogen 2.967 N/A VAL 56.A N SER 41.A OG no hydrogen 2.819 N/A SER 57.A N VAL 91.A O no hydrogen 2.901 N/A SER 57.A OG ARG 103.A O no hydrogen 2.552 N/A ASP 60.A N SER 57.A OG no hydrogen 3.076 N/A LEU 62.A N ALA 58.A O no hydrogen 2.860 N/A THR 63.A N GLU 59.A O no hydrogen 2.863 N/A THR 63.A OG1 GLU 59.A O no hydrogen 2.743 N/A CYS 64.A N ASP 60.A O no hydrogen 3.012 N/A CYS 64.A SG ASP 60.A OD2 no hydrogen 3.572 N/A CYS 64.A SG THR 63.A OG1 no hydrogen 3.758 N/A CYS 65.A N LEU 61.A O no hydrogen 3.327 N/A CYS 69.A N GLY 66.A O no hydrogen 3.006 N/A GLY 70.A N GLY 66.A O no hydrogen 3.269 N/A GLY 70.A N SER 67.A O no hydrogen 3.053 N/A ASP 71.A N GLY 75.A O no hydrogen 2.786 N/A CYS 73.A N THR 127.A OG1 no hydrogen 2.840 N/A CYS 73.A SG ASP 126.A O no hydrogen 3.801 N/A ASN 74.A N ASP 71.A O no hydrogen 2.915 N/A ASN 74.A ND2 GLU 124.A OE1 no hydrogen 2.952 N/A GLY 75.A N GLY 72.A O no hydrogen 3.155 N/A TYR 77.A N CYS 69.A O no hydrogen 2.848 N/A ALA 81.A N TYR 77.A O no hydrogen 3.047 N/A TRP 82.A N PRO 78.A O no hydrogen 3.063 N/A TRP 82.A NE1 GLU 173.A OE2 no hydrogen 2.818 N/A ASN 83.A N ALA 79.A O no hydrogen 3.062 N/A PHE 84.A N GLU 80.A O no hydrogen 2.911 N/A TRP 85.A N ALA 81.A O no hydrogen 3.228 N/A TRP 85.A N TRP 82.A O no hydrogen 3.069 N/A THR 86.A N TRP 82.A O no hydrogen 3.368 N/A THR 86.A N ASN 83.A O no hydrogen 3.126 N/A THR 86.A OG1 ASN 83.A O no hydrogen 2.646 N/A ARG 87.A N PHE 84.A O no hydrogen 3.210 N/A LYS 88.A N PHE 84.A O no hydrogen 2.772 N/A GLY 89.A N PHE 84.A O no hydrogen 3.302 N/A LEU 90.A N HIS 147.A O no hydrogen 2.829 N/A VAL 91.A N ASP 60.A OD1 no hydrogen 2.994 N/A SER 92.A N ASP 145.A OD2 no hydrogen 2.801 N/A SER 92.A OG TYR 138.A OH no hydrogen 3.278 N/A SER 92.A OG ASP 145.A OD2 no hydrogen 2.693 N/A GLY 93.A N GLU 55.A O no hydrogen 2.765 N/A GLY 94.A N VAL 100.A O no hydrogen 2.830 N/A TYR 96.A OH GLU 97.A OE1 no hydrogen 3.314 N/A SER 98.A N LEU 95.A O no hydrogen 2.954 N/A SER 98.A OG LEU 95.A O no hydrogen 2.629 N/A VAL 100.A N SER 98.A OG no hydrogen 3.084 N/A CYS 102.A N SER 92.A OG no hydrogen 3.077 N/A ARG 103.A N SER 92.A O no hydrogen 2.874 N/A ARG 103.A NH1 ASP 60.A OD2 no hydrogen 3.152 N/A ARG 103.A NH1 THR 63.A OG1 no hydrogen 3.154 N/A ARG 103.A NH2 THR 63.A OG1 no hydrogen 2.759 N/A ARG 103.A NH2 LYS 129.A O no hydrogen 3.105 N/A TYR 105.A N GLY 94.A O no hydrogen 2.835 N/A TYR 105.A OH GLN 25.A O no hydrogen 2.675 N/A TYR 105.A OH SER 30.A OG no hydrogen 2.932 N/A SER 106.A N GLU 59.A OE2 no hydrogen 2.948 N/A SER 106.A OG GLU 59.A OE1 no hydrogen 2.403 N/A SER 106.A OG GLU 59.A OE2 no hydrogen 3.082 N/A CYS 110.A N ASP 24.A OD2 no hydrogen 2.972 N/A CYS 110.A SG SER 27.A OG no hydrogen 3.534 N/A CYS 110.A SG HIS 112.A NE2 no hydrogen 3.406 N/A GLU 111.A N PRO 119.A O no hydrogen 2.815 N/A HIS 112.A NE2 ASP 24.A OD1 no hydrogen 2.793 N/A ARG 118.A N GLU 111.A OE1 no hydrogen 3.037 N/A ARG 118.A NH1 ASP 226.A OD2 no hydrogen 2.882 N/A ARG 118.A NH2 CYS 110.A O no hydrogen 3.003 N/A ARG 118.A NH2 ASP 226.A OD1 no hydrogen 2.992 N/A ARG 118.A NH2 ASP 226.A OD2 no hydrogen 3.096 N/A CYS 121.A N GLU 111.A O no hydrogen 2.998 N/A THR 122.A N SER 27.A OG no hydrogen 2.969 N/A GLY 125.A N SER 27.A O no hydrogen 3.050 N/A CYS 134.A SG PRO 140.A O no hydrogen 3.723 N/A GLU 135.A N CYS 102.A O no hydrogen 2.784 N/A TYR 138.A N GLU 135.A O no hydrogen 3.099 N/A TYR 138.A OH ASP 145.A OD1 no hydrogen 2.487 N/A THR 141.A N GLN 144.A OE1 no hydrogen 3.117 N/A TYR 142.A OH ASP 60.A OD2 no hydrogen 2.664 N/A GLN 144.A N THR 141.A OG1 no hydrogen 3.334 N/A ASP 145.A N TYR 142.A O no hydrogen 3.059 N/A LYS 146.A NZ ASP 60.A OD1 no hydrogen 2.777 N/A LYS 146.A NZ GLY 89.A O no hydrogen 2.532 N/A LYS 146.A NZ TYR 142.A OH no hydrogen 3.215 N/A HIS 147.A N LEU 90.A O no hydrogen 2.820 N/A GLY 149.A N TRP 85.A O no hydrogen 3.017 N/A TYR 150.A N ILE 252.A O no hydrogen 2.547 N/A ASN 151.A N ILE 252.A O no hydrogen 3.389 N/A TYR 153.A N ALA 250.A O no hydrogen 2.941 N/A TYR 153.A OH GLU 165.A OE1 no hydrogen 3.415 N/A TYR 153.A OH GLU 165.A OE2 no hydrogen 2.695 N/A VAL 155.A N VAL 248.A O no hydrogen 2.910 N/A SER 156.A OG ASP 161.A OD2 no hydrogen 2.769 N/A ASN 157.A ND2 ASP 240.A OD2 no hydrogen 3.305 N/A ASP 161.A N SER 158.A OG no hydrogen 3.110 N/A ILE 162.A N SER 158.A O no hydrogen 3.099 N/A MET 163.A N GLU 159.A O no hydrogen 2.922 N/A ALA 164.A N LYS 160.A O no hydrogen 2.780 N/A GLU 165.A N ASP 161.A O no hydrogen 2.754 N/A ILE 166.A N ILE 162.A O no hydrogen 2.936 N/A TYR 167.A N MET 163.A O no hydrogen 2.877 N/A LYS 168.A N ALA 164.A O no hydrogen 2.837 N/A ASN 169.A N GLU 165.A O no hydrogen 2.735 N/A GLY 170.A N ILE 166.A O no hydrogen 2.799 N/A VAL 172.A N ILE 205.A O no hydrogen 2.962 N/A GLU 173.A N VAL 249.A O no hydrogen 3.016 N/A GLY 174.A N ILE 203.A O no hydrogen 2.907 N/A PHE 176.A N HIS 201.A O no hydrogen 3.043 N/A SER 177.A N CYS 242.A O no hydrogen 2.879 N/A VAL 178.A N GLY 199.A O no hydrogen 2.908 N/A SER 180.A N GLU 196.A O no hydrogen 3.170 N/A PHE 182.A N TYR 179.A O no hydrogen 3.052 N/A LEU 183.A N SER 180.A O no hydrogen 3.172 N/A LEU 184.A N ASP 181.A O no hydrogen 3.008 N/A TYR 185.A N PHE 182.A O no hydrogen 2.917 N/A TYR 185.A OH GLY 188.A O no hydrogen 2.498 N/A TYR 190.A N LYS 234.A O no hydrogen 2.860 N/A TYR 190.A OH ASP 181.A OD1 no hydrogen 2.769 N/A GLN 191.A NE2 VAL 189.A O no hydrogen 3.009 N/A HIS 192.A ND1 ASP 181.A OD1 no hydrogen 3.128 N/A VAL 193.A N ASP 181.A OD2 no hydrogen 2.700 N/A THR 194.A N ASP 181.A OD2 no hydrogen 3.055 N/A MET 198.A N VAL 178.A O no hydrogen 2.661 N/A HIS 201.A N PHE 176.A O no hydrogen 2.716 N/A HIS 201.A NE2 ASN 221.A OD1 no hydrogen 2.979 N/A ILE 203.A N GLY 174.A O no hydrogen 2.911 N/A ARG 204.A N ALA 220.A O no hydrogen 3.362 N/A ARG 204.A NH1 ILE 19.A O no hydrogen 3.023 N/A ARG 204.A NH1 ASP 42.A OD2 no hydrogen 2.770 N/A ARG 204.A NH2 ILE 19.A O no hydrogen 3.088 N/A ILE 205.A N VAL 172.A O no hydrogen 2.977 N/A LEU 206.A N LEU 218.A O no hydrogen 2.945 N/A TRP 208.A N PHE 7.A O no hydrogen 2.935 N/A TRP 208.A NE1 PRO 4.A O no hydrogen 2.940 N/A GLY 209.A N TYR 216.A O no hydrogen 3.000 N/A GLU 211.A N THR 214.A O no hydrogen 2.661 N/A THR 214.A N GLU 211.A O no hydrogen 2.778 N/A THR 214.A OG1 GLU 211.A O no hydrogen 3.455 N/A TYR 216.A N GLY 209.A O no hydrogen 2.842 N/A TRP 217.A N ILE 235.A O no hydrogen 2.769 N/A TRP 217.A NE1 GLU 245.A OE2 no hydrogen 2.879 N/A LEU 218.A N GLY 207.A O no hydrogen 3.093 N/A VAL 219.A N PHE 233.A O no hydrogen 3.007 N/A ALA 220.A N ARG 204.A O no hydrogen 2.652 N/A ASN 221.A N GLY 231.A O no hydrogen 3.001 N/A SER 222.A N ASN 221.A OD1 no hydrogen 2.950 N/A SER 222.A OG GLN 25.A OE1 no hydrogen 2.801 N/A ASN 224.A N ARG 23.A O no hydrogen 3.060 N/A ASN 224.A ND2 ASP 24.A OD2 no hydrogen 2.868 N/A THR 225.A N ASN 224.A OD1 no hydrogen 2.790 N/A TRP 227.A NE1 LEU 183.A O no hydrogen 3.295 N/A ASP 229.A N PHE 232.A O no hydrogen 2.932 N/A GLY 231.A N TRP 227.A O no hydrogen 3.012 N/A PHE 232.A N ASP 229.A O no hydrogen 3.189 N/A PHE 233.A N VAL 219.A O no hydrogen 3.047 N/A LYS 234.A N TYR 185.A OH no hydrogen 3.116 N/A ILE 235.A N TRP 217.A O no hydrogen 3.086 N/A LEU 236.A N TYR 190.A O no hydrogen 3.263 N/A ARG 237.A N PRO 215.A O no hydrogen 3.163 N/A ARG 237.A NE TYR 216.A O no hydrogen 2.949 N/A ARG 237.A NH1 GLY 209.A O no hydrogen 2.757 N/A ARG 237.A NH2 GLU 159.A OE2 no hydrogen 2.813 N/A GLY 238.A N GLU 245.A OE2 no hydrogen 2.833 N/A ASP 240.A N GLU 245.A OE1 no hydrogen 2.841 N/A GLY 243.A N ASP 240.A O no hydrogen 3.118 N/A ILE 244.A N HIS 241.A O no hydrogen 3.016 N/A GLU 245.A N ASP 240.A OD1 no hydrogen 2.775 N/A SER 246.A N GLY 243.A O no hydrogen 2.985 N/A SER 246.A OG ASP 240.A OD1 no hydrogen 3.353 N/A SER 246.A OG ASP 240.A OD2 no hydrogen 2.870 N/A VAL 249.A N GLU 173.A O no hydrogen 2.704 N/A ALA 250.A N TYR 153.A O no hydrogen 3.025 N/A ILE 252.A N ASN 151.A OD1 no hydrogen 2.920 N/A ARG 254.A N TYR 148.A O no hydrogen 2.803 N/A THR 255.A OG1 HIS 47.A NE2 no hydrogen 2.749 N/A