Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c31_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 THR 2.A O no hydrogen 3.095 N/A ARG 1.A NH1 ASP 80.A OD2 no hydrogen 2.818 N/A ARG 1.A NH2 ASP 80.A OD1 no hydrogen 2.799 N/A ARG 1.A NH2 ASP 80.A OD2 no hydrogen 3.553 N/A LEU 3.A N LEU 47.A O no hydrogen 2.745 N/A ILE 4.A N ASP 80.A OD2 no hydrogen 2.853 N/A VAL 5.A N ASP 49.A O no hydrogen 2.914 N/A THR 6.A N LEU 81.A O no hydrogen 2.799 N/A THR 7.A N LYS 51.A O no hydrogen 3.139 N/A THR 7.A OG1 VAL 83.A O no hydrogen 2.650 N/A ILE 8.A N THR 7.A OG1 no hydrogen 2.777 N/A GLU 10.A N VAL 14.A O no hydrogen 2.934 N/A TYR 13.A N GLU 10.A O no hydrogen 2.757 N/A VAL 14.A N GLU 10.A O no hydrogen 2.925 N/A MET 15.A N GLU 30.A O no hydrogen 2.835 N/A ARG 17.A N ARG 28.A O no hydrogen 2.940 N/A ARG 17.A NH1 ASP 27.A O no hydrogen 2.368 N/A ASN 26.A ND2 TYR 48.A O no hydrogen 2.926 N/A ARG 28.A N GLY 25.A O no hydrogen 3.095 N/A ARG 28.A NE.A GLY 25.A O no hydrogen 2.869 N/A ARG 28.A NE.B GLY 25.A O no hydrogen 2.814 N/A ARG 28.A NH2.B GLY 25.A O no hydrogen 3.512 N/A PHE 29.A N ASN 26.A O no hydrogen 3.051 N/A GLU 30.A N MET 15.A O no hydrogen 2.821 N/A TYR 32.A N PRO 12.A O no hydrogen 2.942 N/A CYS 33.A N TYR 13.A O no hydrogen 2.816 N/A ASP 35.A N GLY 31.A O no hydrogen 2.944 N/A LEU 36.A N TYR 32.A O no hydrogen 2.841 N/A LEU 37.A N CYS 33.A O no hydrogen 2.911 N/A LYS 38.A N LEU 34.A O no hydrogen 2.985 N/A GLU 39.A N ASP 35.A O no hydrogen 3.012 N/A LEU 40.A N LEU 36.A O no hydrogen 2.824 N/A SER 41.A N LEU 37.A O no hydrogen 2.846 N/A SER 41.A OG.A LEU 37.A O no hydrogen 3.157 N/A SER 41.A OG.A LYS 38.A O no hydrogen 2.850 N/A SER 41.A OG.B PHE 46.A O no hydrogen 2.575 N/A ASN 42.A N LYS 38.A O no hydrogen 2.921 N/A ILE 43.A N GLU 39.A O no hydrogen 3.090 N/A LEU 44.A N LEU 40.A O no hydrogen 2.859 N/A GLY 45.A N SER 41.A O no hydrogen 2.703 N/A LEU 47.A N ARG 1.A O no hydrogen 3.172 N/A ASP 49.A N LEU 3.A O no hydrogen 2.865 N/A VAL 50.A N ASN 26.A OD1 no hydrogen 2.972 N/A LYS 51.A N VAL 5.A O no hydrogen 2.825 N/A VAL 53.A N THR 7.A O no hydrogen 2.834 N/A GLY 56.A N VAL 53.A O no hydrogen 2.986 N/A LYS 57.A N ASP 55.A OD1 no hydrogen 3.020 N/A TYR 58.A OH GLU 10.A OE1 no hydrogen 2.663 N/A ALA 60.A N ASN 68.A OD1 no hydrogen 2.873 N/A GLN 61.A NE2 GLY 65.A O no hydrogen 3.054 N/A ASN 62.A N GLU 66.A O no hydrogen 2.964 N/A ASN 62.A ND2 GLU 66.A OE1.A no hydrogen 2.897 N/A LYS 64.A N ASN 62.A OD1 no hydrogen 3.035 N/A GLY 65.A N ASN 62.A O no hydrogen 2.895 N/A GLU 66.A N ASN 62.A OD1 no hydrogen 2.851 N/A ASN 68.A N ALA 60.A O no hydrogen 3.239 N/A GLY 69.A N ASP 55.A OD2 no hydrogen 2.878 N/A MET 70.A N LYS 57.A O no hydrogen 3.072 N/A VAL 71.A N TYR 58.A O no hydrogen 3.178 N/A LYS 72.A N ASN 68.A O no hydrogen 3.059 N/A LYS 72.A NZ ASP 76.A OD1 no hydrogen 2.883 N/A GLU 73.A N GLY 69.A O no hydrogen 3.094 N/A LEU 74.A N MET 70.A O no hydrogen 3.094 N/A ILE 75.A N VAL 71.A O no hydrogen 2.909 N/A ASP 76.A N LYS 72.A O no hydrogen 2.998 N/A HIS 77.A N LEU 74.A O no hydrogen 2.929 N/A ARG 78.A N GLU 73.A O no hydrogen 2.870 N/A ARG 78.A NE GLU 73.A OE1 no hydrogen 3.078 N/A ARG 78.A NE GLU 73.A OE2 no hydrogen 3.201 N/A ARG 78.A NH1 ASP 76.A OD2 no hydrogen 3.018 N/A ARG 78.A NH2 GLU 73.A OE2 no hydrogen 3.005 N/A ARG 78.A NH2 ASP 76.A OD2 no hydrogen 3.126 N/A ASP 80.A N ILE 4.A O no hydrogen 2.750 N/A LEU 81.A N ILE 4.A O no hydrogen 3.198 N/A ALA 82.A N GLY 216.A O no hydrogen 2.828 N/A VAL 83.A N THR 6.A O no hydrogen 3.111 N/A LEU 86.A N ALA 84.A O no hydrogen 2.734 N/A THR 87.A OG1 SER 138.A OG.B no hydrogen 3.360 N/A THR 87.A OG1 GLU 187.A OE2 no hydrogen 2.720 N/A ILE 88.A N GLY 212.A O no hydrogen 2.870 N/A ARG 92.A N THR 89.A OG1 no hydrogen 3.311 N/A ARG 92.A NE GLY 59.A O no hydrogen 3.046 N/A ARG 92.A NH1 THR 87.A O no hydrogen 2.922 N/A ARG 92.A NH2 GLY 59.A O no hydrogen 3.028 N/A GLU 93.A N THR 89.A O no hydrogen 2.841 N/A LYS 94.A N TYR 90.A O no hydrogen 3.196 N/A LYS 94.A NZ TYR 90.A OH no hydrogen 3.130 N/A VAL 95.A N ARG 92.A O no hydrogen 2.914 N/A ILE 96.A N ARG 92.A O no hydrogen 3.049 N/A ASP 97.A N THR 217.A O no hydrogen 2.836 N/A PHE 98.A N GLU 93.A OE1 no hydrogen 3.206 N/A SER 99.A N VAL 215.A O no hydrogen 2.811 N/A SER 99.A OG LYS 100.A O no hydrogen 2.787 N/A LYS 100.A N THR 228.A OG1 no hydrogen 2.886 N/A PHE 102.A N TYR 213.A O no hydrogen 2.878 N/A THR 104.A OG1.B LYS 211.A O no hydrogen 3.152 N/A LEU 105.A N LYS 211.A O no hydrogen 2.847 N/A GLY 106.A N SER 188.A OG no hydrogen 3.076 N/A ILE 107.A N ASP 209.A OD1 no hydrogen 2.739 N/A SER 108.A N MET 186.A O no hydrogen 2.866 N/A SER 108.A OG ILE 204.A O no hydrogen 3.405 N/A SER 108.A OG GLY 206.A O no hydrogen 2.823 N/A ILE 109.A N SER 108.A OG no hydrogen 2.815 N/A LEU 110.A N LEU 184.A O no hydrogen 2.800 N/A TYR 111.A N THR 202.A O no hydrogen 3.062 N/A TYR 111.A OH ASP 181.A OD1 no hydrogen 2.728 N/A ARG 112.A NH1 ASP 181.A OD1 no hydrogen 2.804 N/A ARG 112.A NH2 ASP 181.A OD1 no hydrogen 3.229 N/A LYS 113.A N ASN 200.A O.A no hydrogen 3.163 N/A LYS 113.A N ASN 200.A O.B no hydrogen 2.702 N/A LYS 113.A NZ CYS 199.A O no hydrogen 2.802 N/A ILE 117.A N THR 115.A OG1 no hydrogen 3.140 N/A ASP 118.A N ASP 122.A OD2 no hydrogen 2.811 N/A ASP 122.A N SER 119.A OG no hydrogen 3.102 N/A ALA 124.A N ALA 120.A O no hydrogen 2.884 N/A LYS 125.A N ASP 121.A O no hydrogen 3.145 N/A GLN 126.A N LEU 123.A O no hydrogen 3.276 N/A GLN 126.A NE2 LEU 123.A O no hydrogen 2.928 N/A GLN 126.A NE2 ILE 129.A O no hydrogen 3.045 N/A ILE 129.A N GLN 126.A OE1 no hydrogen 2.768 N/A GLU 130.A N ASP 181.A O no hydrogen 3.267 N/A GLY 132.A N ALA 183.A O no hydrogen 3.167 N/A ARG 135.A N VAL 167.A O no hydrogen 2.807 N/A ARG 135.A NE GLN 163.A OE1 no hydrogen 3.015 N/A GLY 137.A N VAL 134.A O no hydrogen 3.181 N/A SER 138.A OG.B THR 87.A OG1 no hydrogen 3.360 N/A THR 141.A N GLY 137.A O no hydrogen 3.011 N/A THR 141.A OG1 GLY 137.A O no hydrogen 3.151 N/A PHE 142.A N SER 138.A O no hydrogen 2.874 N/A PHE 143.A N THR 139.A O no hydrogen 3.218 N/A LYS 144.A N MET 140.A O no hydrogen 2.892 N/A LYS 145.A N THR 141.A O no hydrogen 3.037 N/A SER 146.A N PHE 143.A O no hydrogen 3.322 N/A ILE 148.A N SER 146.A OG no hydrogen 3.137 N/A THR 150.A OG1 ASP 121.A OD1.B no hydrogen 2.834 N/A GLU 152.A N ILE 148.A O no hydrogen 2.843 N/A LYS 153.A N SER 149.A O no hydrogen 2.956 N/A LYS 153.A NZ.A ALA 124.A O no hydrogen 2.636 N/A MET 154.A N THR 150.A O no hydrogen 2.987 N/A TRP 155.A N TYR 151.A O no hydrogen 2.843 N/A ALA 156.A N GLU 152.A O no hydrogen 2.935 N/A PHE 157.A N LYS 153.A O no hydrogen 3.122 N/A MET 158.A N MET 154.A O no hydrogen 2.831 N/A SER 159.A N TRP 155.A O no hydrogen 2.930 N/A SER 159.A OG TRP 155.A O no hydrogen 2.748 N/A SER 159.A OG ALA 156.A O no hydrogen 3.538 N/A SER 160.A N PHE 157.A O no hydrogen 3.196 N/A SER 160.A OG PHE 157.A O no hydrogen 2.745 N/A ARG 161.A NE SER 160.A OG no hydrogen 3.006 N/A ARG 161.A NH1 GLU 130.A OE1 no hydrogen 3.368 N/A ARG 161.A NH1 GLU 130.A OE2 no hydrogen 2.864 N/A ARG 161.A NH2 GLU 130.A OE1 no hydrogen 2.811 N/A GLN 163.A N SER 160.A O no hydrogen 2.976 N/A SER 164.A N ARG 161.A O no hydrogen 3.190 N/A SER 164.A OG ARG 161.A O no hydrogen 3.542 N/A LEU 166.A N GLN 163.A O no hydrogen 2.984 N/A VAL 167.A N ALA 133.A O no hydrogen 3.076 N/A LYS 168.A N GLU 172.A OE1 no hydrogen 2.730 N/A GLU 172.A N ASN 169.A OD1 no hydrogen 2.844 N/A GLY 173.A N ASN 169.A O no hydrogen 3.099 N/A ILE 174.A N SER 170.A O no hydrogen 2.770 N/A GLN 175.A N ASP 171.A O no hydrogen 3.014 N/A ARG 176.A N GLU 172.A O no hydrogen 3.005 N/A ARG 176.A NH1 SER 164.A O no hydrogen 3.001 N/A ARG 176.A NH2 SER 164.A O no hydrogen 3.156 N/A VAL 177.A N GLY 173.A O no hydrogen 2.950 N/A LEU 178.A N ILE 174.A O no hydrogen 2.936 N/A THR 179.A N GLN 175.A O no hydrogen 3.037 N/A THR 179.A OG1.A GLN 175.A O no hydrogen 2.835 N/A THR 179.A OG1.B GLN 175.A O no hydrogen 2.762 N/A THR 180.A N ARG 176.A O no hydrogen 2.989 N/A THR 180.A OG1 ARG 176.A O no hydrogen 2.707 N/A TYR 182.A OH ALA 165.A O no hydrogen 2.686 N/A ALA 183.A N GLU 130.A O no hydrogen 2.931 N/A LEU 184.A N LEU 110.A O no hydrogen 2.965 N/A LEU 185.A N.A GLY 132.A O no hydrogen 2.758 N/A LEU 185.A N.B GLY 132.A O no hydrogen 2.783 N/A MET 186.A N SER 108.A O no hydrogen 2.968 N/A SER 188.A N GLY 106.A O no hydrogen 2.746 N/A SER 188.A OG GLY 106.A O no hydrogen 3.192 N/A SER 190.A N GLU 187.A O no hydrogen 2.905 N/A ILE 191.A N GLU 187.A O no hydrogen 3.041 N/A GLU 192.A N SER 188.A O no hydrogen 2.921 N/A TYR 193.A N THR 189.A O no hydrogen 3.170 N/A TYR 193.A OH GLU 11.A OE1.B no hydrogen 3.378 N/A TYR 193.A OH GLU 11.A OE2.A no hydrogen 2.530 N/A VAL 194.A N SER 190.A O no hydrogen 2.967 N/A THR 195.A N ILE 191.A O no hydrogen 2.833 N/A THR 195.A OG1 ILE 191.A O no hydrogen 3.060 N/A THR 195.A OG1 GLU 192.A O no hydrogen 3.318 N/A GLN 196.A N GLU 192.A O no hydrogen 3.160 N/A ARG 197.A N VAL 194.A O no hydrogen 2.966 N/A ARG 197.A NH1 TYR 193.A O no hydrogen 3.021 N/A ARG 197.A NH1 TRP 248.A O no hydrogen 2.834 N/A ARG 197.A NH2 TRP 248.A O no hydrogen 3.392 N/A ASN 198.A ND2 VAL 194.A O no hydrogen 2.966 N/A CYS 199.A SG GLY 252.A O no hydrogen 3.999 N/A LEU 201.A N ASN 198.A O no hydrogen 3.065 N/A THR 202.A N TYR 111.A O no hydrogen 2.882 N/A THR 202.A OG1 GLN 203.A O no hydrogen 3.150 N/A GLN 203.A NE2 GLY 205.A O no hydrogen 2.941 N/A ILE 204.A N ILE 109.A O no hydrogen 2.831 N/A ILE 208.A N ILE 107.A O no hydrogen 2.819 N/A LYS 211.A N LEU 105.A O no hydrogen 2.855 N/A LYS 211.A NZ ASP 209.A OD2 no hydrogen 2.703 N/A TYR 213.A N MET 103.A O no hydrogen 2.986 N/A TYR 213.A OH GLU 187.A OE1 no hydrogen 2.623 N/A GLY 214.A N LEU 86.A O no hydrogen 3.340 N/A VAL 215.A N SER 99.A OG no hydrogen 2.869 N/A GLY 216.A N ALA 82.A O no hydrogen 2.944 N/A THR 217.A N ASP 97.A O no hydrogen 2.980 N/A THR 217.A OG1 ASP 97.A O no hydrogen 2.792 N/A THR 217.A OG1 PRO 218.A O no hydrogen 3.330 N/A GLY 220.A N ASP 97.A OD2 no hydrogen 2.857 N/A SER 221.A N PRO 218.A O no hydrogen 2.995 N/A TYR 223.A N SER 221.A OG no hydrogen 2.920 N/A ARG 224.A NH1 PHE 98.A O no hydrogen 2.908 N/A ILE 227.A N TYR 223.A O no hydrogen 2.858 N/A THR 228.A N ARG 224.A O no hydrogen 2.935 N/A THR 228.A OG1 ARG 224.A O no hydrogen 3.392 N/A ILE 229.A N ASP 225.A O no hydrogen 3.029 N/A ALA 230.A N LYS 226.A O no hydrogen 3.003 N/A ILE 231.A N ILE 227.A O no hydrogen 2.820 N/A LEU 232.A N THR 228.A O no hydrogen 2.940 N/A GLN 233.A N ILE 229.A O no hydrogen 2.986 N/A GLN 233.A NE2 GLU 237.A OE2 no hydrogen 3.263 N/A LEU 234.A N ALA 230.A O no hydrogen 2.937 N/A GLN 235.A N ILE 231.A O no hydrogen 2.830 N/A GLU 236.A N LEU 232.A O no hydrogen 2.914 N/A GLU 237.A N GLN 233.A O no hydrogen 2.979 N/A GLY 238.A N GLN 235.A O no hydrogen 2.989 N/A LYS 239.A N LEU 234.A O no hydrogen 2.939 N/A LYS 239.A NZ.B GLU 237.A OE1 no hydrogen 2.868 N/A LEU 240.A N LEU 234.A O no hydrogen 3.450 N/A MET 242.A N GLY 238.A O no hydrogen 3.110 N/A MET 243.A N LYS 239.A O no hydrogen 2.893 N/A LYS 244.A N LEU 240.A O no hydrogen 2.992 N/A LYS 244.A NZ GLU 192.A OE1 no hydrogen 3.488 N/A LYS 244.A NZ GLU 192.A OE2 no hydrogen 2.765 N/A GLU 245.A N HIS 241.A O no hydrogen 3.032 N/A LYS 246.A N MET 242.A O no hydrogen 2.957 N/A LYS 246.A NZ ASP 35.A OD2 no hydrogen 2.924 N/A TRP 247.A N MET 243.A O no hydrogen 3.248 N/A TRP 247.A N LYS 244.A O no hydrogen 3.214 N/A TRP 247.A NE1 ASP 35.A OD2 no hydrogen 2.809 N/A TRP 248.A N LYS 244.A O no hydrogen 2.844 N/A TRP 248.A NE1 THR 189.A O no hydrogen 2.846 N/A ARG 249.A N GLU 245.A O no hydrogen 3.193 N/A GLY 250.A N GLN 196.A OE1 no hydrogen 2.858 N/A CYS 253.A SG THR 195.A O no hydrogen 3.834 N/A